FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Steinke, I Walther, M Lehmkuhler, F Wochner, P Valerio, J Mager, R Schroer, MA Lee, S Roseker, W Jain, A Sikorski, M Song, S Hartmann, R Huth, M Struder, L Sprung, M Robert, A Fuoss, PH Stephenson, GB Grubel, G AF Steinke, I. Walther, M. Lehmkuehler, F. Wochner, P. Valerio, J. Mager, R. Schroer, M. A. Lee, S. Roseker, W. Jain, A. Sikorski, M. Song, S. Hartmann, R. Huth, M. Strueder, L. Sprung, M. Robert, A. Fuoss, P. H. Stephenson, G. B. Gruebel, G. TI A liquid jet setup for x-ray scattering experiments on complex liquids at free-electron laser sources SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CORRELATION SPECTROSCOPY; PROTEIN CRYSTALS; PARTICLES; DIFFRACTION; RADIATION; PNCCD; WATER; SACLA AB In this paper we describe a setup for x-ray scattering experiments on complex fluids using a liquid jet. The setup supports Small and Wide Angle X-ray Scattering (SAXS/WAXS) geometries. The jet is formed by a gas-dynamic virtual nozzle (GDVN) allowing for diameters ranging between 1 mu m and 20 mu m at a jet length of several hundred mu m. To control jet properties such as jet length, diameter, or flow rate, the instrument is equipped with several diagnostic tools. Three microscopes are installed to quantify jet dimensions and stability in situ. The setup has been used at several beamlines performing both SAXS and WAXS experiments. As a typical example we show an experiment on a colloidal dispersion in a liquid jet at the X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source free-electron laser. Published by AIP Publishing. C1 [Steinke, I.; Walther, M.; Lehmkuehler, F.; Valerio, J.; Schroer, M. A.; Roseker, W.; Jain, A.; Sprung, M.; Gruebel, G.] Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany. [Steinke, I.; Lehmkuehler, F.; Schroer, M. A.; Gruebel, G.] Hamburg Ctr Ultrafast Imaging CUI, Luruper Chaussee 149, D-22761 Hamburg, Germany. [Wochner, P.] Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. [Mager, R.] Max Plank Inst Intelligente Syst, Heisenbergstr 3, D-70569 Stuttgart, Germany. [Lee, S.] KRISS, Frontier Extreme Phys, Daejeon 305600, South Korea. [Sikorski, M.; Song, S.; Robert, A.] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA. [Hartmann, R.; Huth, M.; Strueder, L.] PNSensor GmbH, Sckellstr 3, D-81667 Munich, Germany. [Fuoss, P. H.; Stephenson, G. B.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Lehmkuhler, F (reprint author), Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.; Lehmkuhler, F (reprint author), Hamburg Ctr Ultrafast Imaging CUI, Luruper Chaussee 149, D-22761 Hamburg, Germany. EM felix.lehmkuehler@desy.de RI Lehmkuhler, Felix/C-2367-2017 OI Lehmkuhler, Felix/0000-0003-1289-995X FU Graduate School 1355 of the Deutsche Forschungsgemeinschaft; Hamburg Centre for Ultrafast Imaging (CUI); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; Converging Research Center Program through the Ministry of Science, ICT and Future Planning, Korea [NRF-2014M3C1A8048818, NRF-2014M1A7A1A01030128]; U.S. Dept. of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX This work was supported by the Graduate School 1355 of the Deutsche Forschungsgemeinschaft and the Hamburg Centre for Ultrafast Imaging (CUI). 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. We acknowledge the LCLS staff for preparing the x-ray beam and technical support during the beamtime. S.L. was supported by the Converging Research Center Program through the Ministry of Science, ICT and Future Planning, Korea (Grant Nos. NRF-2014M3C1A8048818 and NRF-2014M1A7A1A01030128). P.H.F. and G.B.S. were supported by the U.S. Dept. of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. We thank I. Rajkovic, X. Donath, and A. Menzel for support in the experiment at cSAXS of SLS. NR 42 TC 0 Z9 0 U1 4 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2016 VL 87 IS 6 AR 063905 DI 10.1063/1.4953921 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DQ4MC UT WOS:000379177000052 PM 27370468 ER PT J AU Sturm, FP Wright, TW Ray, D Zalyubovskaya, I Shivaram, N Slaughter, DS Ranitovic, P Belkacem, A Weber, T AF Sturm, F. P. Wright, T. W. Ray, D. Zalyubovskaya, I. Shivaram, N. Slaughter, D. S. Ranitovic, P. Belkacem, A. Weber, Th. TI Time resolved 3D momentum imaging of ultrafast dynamics by coherent VUV-XUV radiation SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID FREE-ELECTRON LASER; HIGH-ORDER HARMONICS; EXTREME-ULTRAVIOLET; DISSOCIATIVE PHOTOIONIZATION; NONLINEAR OPTICS; SPECTROSCOPY; GENERATION; PULSES; REGION; O-2 AB We present a new experimental setup for measuring ultrafast nuclear and electron dynamics of molecules after photo-excitation and ionization. We combine a high flux femtosecond vacuum ultraviolet (VUV) and extreme ultraviolet (XUV) source with an internally cold molecular beam and a 3D momentum imaging particle spectrometer to measure electrons and ions in coincidence. We describe a variety of tools developed to perform pump-probe studies in the VUV-XUV spectrum and to modify and characterize the photon beam. First benchmark experiments are presented to demonstrate the capabilities of the system. Published by AIP Publishing. C1 [Sturm, F. P.; Wright, T. W.; Ray, D.; Zalyubovskaya, I.; Shivaram, N.; Slaughter, D. S.; Ranitovic, P.; Belkacem, A.; Weber, Th.] Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Sturm, F. P.] Goethe Univ Frankfurt, Inst Kernphys, Max von Laue Str 1, D-60438 Frankfurt, Germany. [Ranitovic, P.] ELI Hu Nkft, ELI ALPS, Dugonics Ter 13, H-H6720 Szeged, Hungary. RP Sturm, FP (reprint author), Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA.; Sturm, FP (reprint author), Goethe Univ Frankfurt, Inst Kernphys, Max von Laue Str 1, D-60438 Frankfurt, Germany. EM fpsturm@lbl.gov OI Shivaram, Niranjan/0000-0002-9550-3588 FU Studienstiftung des deutschen Volkes; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX We acknowledge many fruitful discussions and advice from R. Dorner, M. S. Schoffler, and L. Ph. Schmidt. We are indebted to O. Jagutzki and A. Czasch from Roentdek GmbH and T. Jahnke from Cronologic GmbH for outstanding support for their momentum imaging detectors, readout, and software. Ch. Khurmi, J. Cryan, and E. Champenois gave valuable support with the laser system. R. Lucchese provided O2+ PECs. We thank the Center for Xray Optics (CXRO) for support with the design of the SMI as well as providing multilayer coated optics. F.P.S. acknowledges financial support by Studienstiftung des deutschen Volkes. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, and by the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. NR 41 TC 2 Z9 2 U1 7 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2016 VL 87 IS 6 AR 063110 DI 10.1063/1.4953441 PG 11 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DQ4MC UT WOS:000379177000013 PM 27370429 ER PT J AU Waisman, EM Reisman, DB Stoltzfus, BS Stygar, WA Cuneo, ME Haill, TA Davis, JP Brown, JL Seagle, CT Spielman, RB AF Waisman, E. M. Reisman, D. B. Stoltzfus, B. S. Stygar, W. A. Cuneo, M. E. Haill, T. A. Davis, J. -P. Brown, J. L. Seagle, C. T. Spielman, R. B. TI Optimization of current waveform tailoring for magnetically driven isentropic compression experiments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB The Thor pulsed power generator is being developed at Sandia National Laboratories. The design consists of up to 288 decoupled and transit time isolated capacitor-switch units, called "bricks," that can be individually triggered to achieve a high degree of pulse tailoring for magnetically driven isentropic compression experiments (ICE) [D. B. Reisman et al., Phys. Rev. Spec. Top.-Accel. Beams 18, 090401 (2015)]. The connecting transmission lines are impedance matched to the bricks, allowing the capacitor energy to be efficiently delivered to an ICE strip-line load with peak pressures of over 100 GPa. Thor will drive experiments to explore equation of state, material strength, and phase transition properties of a wide variety of materials. We present an optimization process for producing tailored current pulses, a requirement for many material studies, on the Thor generator. This technique, which is unique to the novel "current-adder" architecture used by Thor, entirely avoids the iterative use of complex circuit models to converge to the desired electrical pulse. We begin with magnetohydrodynamic simulations for a given material to determine its time dependent pressure and thus the desired strip-line load current and voltage. Because the bricks are connected to a central power flow section through transit-time isolated coaxial cables of constant impedance, the brick forward-going pulses are independent of each other. We observe that the desired equivalent forward-going current driving the pulse must be equal to the sum of the individual brick forwardgoing currents. We find a set of optimal brick delay times by requiring that the L-2 norm of the difference between the brick-sum current and the desired forward-going current be a minimum. We describe the optimization procedure for the Thor design and show results for various materials of interest. Published by AIP Publishing. C1 [Waisman, E. M.; Reisman, D. B.; Stoltzfus, B. S.; Stygar, W. A.; Cuneo, M. E.; Haill, T. A.; Davis, J. -P.; Brown, J. L.; Seagle, C. T.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Spielman, R. B.] Idaho State Univ, Pocatello, ID 83201 USA. RP Waisman, EM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy [DE-AC04-94AL85000] FX The authors gratefully acknowledge J. Benage, M. Campbell, K. Kielholtz, K. LeChien, T. Mattsson, K. Matzen, D. Flicker, and R. Schneider. 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 16 TC 1 Z9 1 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2016 VL 87 IS 6 AR 063906 DI 10.1063/1.4954173 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DQ4MC UT WOS:000379177000053 PM 27370469 ER PT J AU Wang, CL AF Wang, C. L. TI Performance improvements of wavelength-shifting-fiber neutron detectors using high-resolution positioning algorithms SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SHOT-NOISE; STATISTICS; SCATTERING AB Three high-resolution positioning methods based on the FluoroBancroft linear-algebraic method [S. B. Andersson, Opt. Express 16, 18714 (2008)] are proposed for wavelength-shifting fiber (WLSF) neutron detectors. Using a Gaussian or exponential-decay light-response function, the non-linear relation of photon-number profiles vs. x-pixels was linearized and neutron positions were determined. After taking the super-Poissonian photon noise into account, the proposed algorithms give an average of 0.03-0.08 pixel position error much smaller than that (0.29 pixel) from a traditional maximum photon algorithm (MPA). The new algorithms result in better detector uniformity, less position misassignment (ghosting), better spatial resolution, and an equivalent or better instrument resolution in powder diffraction than the MPA. These improvements will facilitate broader applications of WLSF detectors at time-of-flight neutron powder diffraction beamlines, including single-crystal diffraction and texture analysis. Published by AIP Publishing. C1 [Wang, C. L.] Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. RP Wang, CL (reprint author), Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. EM wangc@ornl.gov OI Wang, Cai-Lin/0000-0001-9745-2334 FU Scientific User Facilities Division, Office of Basic Energy Sciences, United States Department of Energy FX We acknowledge much experimental help and discussion with K. An, B. W. Hannan, J. P. Hodges, and H. D. Skorpenske, and comments on the manuscript made by K. W. Herwig and R. A. Riedel. Research conducted at Oak Ridge National Laboratory's SNS and HFIR was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, United States Department of Energy. NR 26 TC 0 Z9 0 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2016 VL 87 IS 5 AR 053303 DI 10.1063/1.4949496 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DQ4QE UT WOS:000379187600045 PM 27250410 ER PT J AU Yashchuk, VV Artemiev, NA Centers, G Chaubard, A Geckeler, RD Lacey, I Marth, H McKinney, WR Noll, T Siewert, F Winter, M Zeschke, T AF Yashchuk, Valeriy V. Artemiev, Nikolay A. Centers, Gary Chaubard, Arthur Geckeler, Ralf D. Lacey, Ian Marth, Harry McKinney, Wayne R. Noll, Tino Siewert, Frank Winter, Mathias Zeschke, Thomas TI High precision tilt stage as a key element to a universal test mirror for characterization and calibration of slope measuring instruments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT International Workshop on X-ray Mirrors Fabrication and Metrology (IWXM 2015) CY JUL 14-16, 2015 CL Lawrence Berkley Natl Lab, Berkeley, CA HO Lawrence Berkley Natl Lab ID MEASURING MACHINE; ANGLE COMPARATOR; METROLOGY AB The ultimate performance of surface slope metrology instrumentation, such as long trace profilers and auto-collimator based deflectometers, is limited by systematic errors that are increased when the entire angular range is used for metrology of significantly curved optics. At the ALS X-Ray Optics Laboratory, in collaboration with the HZB/BESSY-II and PTB (Germany) metrology teams, we are working on a calibration method for deflectometers, based on a concept of a universal test mirror (UTM) [V. V. Yashchuk et al., Proc. SPIE 6704, 67040A (2007)]. Potentially, the UTM method provides high performance calibration and accounts for peculiarities of the optics under test (e.g., slope distribution) and the experimental arrangement (e.g., the distance between the sensor and the optic under test). At the same time, the UTM calibration method is inherently universal, applicable to a variety of optics and experimental arrangements. In this work, we present the results of tests with a key component of the UTM system, a custom high precision tilt stage, which has been recently developed in collaboration with Physik Instrumente, GmbH. The tests have demonstrated high performance of the stage and its capability (after additional calibration) to provide angular calibration of surface slope measuring profilers over the entire instrumental dynamic range with absolute accuracy better than 30 nrad. The details of the stage design and tests are presented. We also discuss the foundation of the UTM method and calibration algorithm, as well as the possible design of a full scale UTM system. Published by AIP Publishing. C1 [Yashchuk, Valeriy V.; Artemiev, Nikolay A.; Centers, Gary; Lacey, Ian; McKinney, Wayne R.] Lawerence Berkeley Natl Lab, Adv Light Source, One Cyclotron Rd, Berkeley, CA 94720 USA. [Artemiev, Nikolay A.] KLA Tencor Corp, 1 Technol Dr, Milpitas, CA 95035 USA. [Chaubard, Arthur] Ecole Natl Supe Ingn Caen, 6 Blvd Marechal Juin, F-14000 Caen, France. [Chaubard, Arthur] Ctr Rech, 6 Blvd Marechal Juin, F-14000 Caen, France. [Geckeler, Ralf D.] Phys Tech Bundesanstalt, Bundesallee 100, D-38116 Braunschweig, Germany. [Marth, Harry; Winter, Mathias] Phys Instrumente PI GmbH & Co KG, Roemerstr 1, D-76228 Karlsruhe, Germany. [McKinney, Wayne R.] Diablo Valley Coll, 321 Golf Club Rd, Pleasant Hill, CA 94523 USA. [Noll, Tino; Siewert, Frank; Zeschke, Thomas] Helmholtz Zentrum Berlin, BESSY II, Inst Nanometre Opt & Technol, Albert Einstein Str 15, D-12489 Berlin, Germany. [Noll, Tino] Tech Univ Berlin, Inst Opt & Atom Phys, Str 17 Juni 135, D-10623 Berlin, Germany. RP Yashchuk, VV (reprint author), Lawerence Berkeley Natl Lab, Adv Light Source, One Cyclotron Rd, Berkeley, CA 94720 USA. EM VVYashchuk@lbl.gov OI Artemiev, Nikolay/0000-0002-0251-545X; McKinney, Wayne/0000-0003-2586-3139 FU Office of Science, Office of Basic Energy Sciences, Material Science Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; EMRP within the EURAMET program of the European Union; United States Government FX The authors are grateful to D. E. Echizenya, Rob Duarte, Steve Irick, Nicholas Kelez, Jonathan Kirschman, Alastair MacDowell, Howard Padmore, and Tony Warwick for useful discussions. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Material Science Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. Part of this research was undertaken within the European Metrology Research Project EMRP-JRP SIB 58 Angle Metrology jointly funded by the EMRP participating countries within the EURAMET program of the European Union.; This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States 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 favor by the United States 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 United States Government or any agency thereof or The Regents of the University of California. NR 49 TC 1 Z9 1 U1 3 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2016 VL 87 IS 5 AR 051904 DI 10.1063/1.4950729 PG 12 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DQ4QE UT WOS:000379187600011 PM 27250376 ER PT J AU Keiter, DA Mayer, JJ Beasley, JC AF Keiter, David A. Mayer, John J. Beasley, James C. TI What is in a "Common" Name? A Call for Consistent Terminology for Nonnative Sus scrofa SO WILDLIFE SOCIETY BULLETIN LA English DT Editorial Material DE common name; feral hogs; feral pigs; invasive species; Sus scrofa; swine; wild boar; wild hogs; wild pigs ID WILD BOAR POPULATIONS; RANGE EXPANSION; FERAL SWINE; PIGS; DNA; DOMESTICATION; MANAGEMENT; CALIFORNIA; SPREAD; EUROPE AB Sus scrofa is both a destructive invasive species and a popular game animal in many parts of the world, but there is a lack of consistency and accuracy in how scientists and wildlife managers refer to wild-living members of the species. The growing importance of this invasive species necessitates that scientists, managers, and policy-makers standardize use of a common name in a taxonomically accurate manner to effectively communicate to the general public and scientific community. In this commentary, we discuss the current terminology used for S. scrofa and, based upon the history of introductions of this species, propose that these animals be referred to as wild pigs within their introduced range unless it is known that the population consists of genetically pure wild boar or domestic pigs that have recently been released and become feral. Use of the term "wild pig" should reduce the potential to misclassify populations as a result of genetic introgression and evolution following release. Furthermore, we recommend that, when appropriate, the terms "nonnative" or "invasive" be included to describe wild pigs in their introduced range to emphasize their negative impacts on natural and anthropogenic environments. The effective control of wild pig populations considered to be invasive will require informed public support and sound scientific management, necessitating clear communication about this species among the research community, wildlife managers, and the general public. (C) 2016 The Wildlife Society. C1 [Keiter, David A.; Beasley, James C.] Univ Georgia, Savannah River Ecol Lab, DB Warnell Sch Forestry & Nat Resources, PO Drawer E, Aiken, SC 29802 USA. [Mayer, John J.] Savannah River Nucl Solut LLC, Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. RP Keiter, DA (reprint author), Univ Georgia, Savannah River Ecol Lab, DB Warnell Sch Forestry & Nat Resources, PO Drawer E, Aiken, SC 29802 USA. EM david.keiter@uga.edu NR 23 TC 2 Z9 2 U1 5 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1938-5463 J9 WILDLIFE SOC B JI Wildl. Soc. Bull. PD JUN PY 2016 VL 40 IS 2 BP 384 EP 387 DI 10.1002/wsb.649 PG 4 WC Biodiversity Conservation SC Biodiversity & Conservation GA DR0ML UT WOS:000379601500025 ER PT J AU White, AM Manley, PN Tarbill, GL Richardson, TW Russell, RE Safford, HD Dobrowski, SZ AF White, A. M. Manley, P. N. Tarbill, G. L. Richardson, T. W. Russell, R. E. Safford, H. D. Dobrowski, S. Z. TI Avian community responses to post-fire forest structure: implications for fire management in mixed conifer forests SO ANIMAL CONSERVATION LA English DT Article DE avian community; forest fires; salvage logging; fire severity; post-fire management; hierarchical modeling; biodiversity; forest management ID CAVITY-NESTING BIRDS; WESTERN UNITED-STATES; PRESCRIBED FIRE; SPECIES RICHNESS; FUEL TREATMENTS; SIERRA-NEVADA; SEVERITY; WILDFIRE; CALIFORNIA; USA AB Fire is a natural process and the dominant disturbance shaping plant and animal communities in many coniferous forests of the western US. Given that fire size and severity are predicted to increase in the future, it has become increasingly important to understand how wildlife responds to fire and post-fire management. The Angora Fire burned 1243 hectares of mixed conifer forest in South Lake Tahoe, California. We conducted avian point counts for the first 3 years following the fire in burned and unburned areas to investigate which habitat characteristics are most important for re-establishing or maintaining the native avian community in post-fire landscapes. We used a multi-species occurrence model to estimate how avian species are influenced by the density of live and dead trees and shrub cover. While accounting for variations in the detectability of species, our approach estimated the occurrence probabilities of all species detected including those that were rare or observed infrequently. Although all species encountered in this study were detected in burned areas, species-specific modeling results predicted that some species were strongly associated with specific post-fire conditions, such as a high density of dead trees, open-canopy conditions or high levels of shrub cover that occur at particular burn severities or at a particular time following fire. These results indicate that prescribed fire or managed wildfire which burns at low to moderate severity without at least some high-severity effects is both unlikely to result in the species assemblages that are unique to post-fire areas or to provide habitat for burn specialists. Additionally, the probability of occurrence for many species was associated with high levels of standing dead trees indicating that intensive post-fire harvest of these structures could negatively impact habitat of a considerable proportion of the avian community. C1 [White, A. M.; Manley, P. N.; Tarbill, G. L.] US Forest Serv, Pacific Southwest Res Stn, USDA, Davis, CA 95618 USA. [Tarbill, G. L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Richardson, T. W.] Tahoe Inst Nat Sci, Incline Village, NV USA. [Russell, R. E.] USGS, Natl Wildlife Hlth Ctr, Madison, WI USA. [Safford, H. D.] US Forest Serv, USDA, Pacific Southwest Reg, Vallejo, CA USA. [Safford, H. D.] Univ Calif Davis, Dept Environm Sci & Policy, Davis, CA 95616 USA. [Dobrowski, S. Z.] Univ Montana, Coll Forestry & Conservat, Missoula, MT 59812 USA. RP White, AM (reprint author), US Forest Serv, Pacific Southwest Res Stn, USDA, Davis, CA 95618 USA. EM angelawhite@fs.fed.us FU California Tahoe Conservancy; Southern Nevada Public Lands Management Act research grant program FX Post-fire field studies are a dirty business. Field data collection was conducted by a large number of hardworking individuals; special thanks are owed to C. Carlson, D. Gaube and B. Campos for leading the field data collection. This project was made possible through two grants provided by the California Tahoe Conservancy and the Southern Nevada Public Lands Management Act research grant program. We would like to thank the reviewers who provided invaluable comments that improved this paper. The use of trade, product or firm names is for descriptive purposes only and does not imply endorsement by the US government. NR 48 TC 1 Z9 1 U1 18 U2 20 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1367-9430 EI 1469-1795 J9 ANIM CONSERV JI Anim. Conserv. PD JUN PY 2016 VL 19 IS 3 BP 256 EP 264 DI 10.1111/acv.12237 PG 9 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA DQ1CU UT WOS:000378939500008 ER PT J AU Guzman-Verri, GG Littlewood, PB AF Guzman-Verri, G. G. Littlewood, P. B. TI Why is the electrocaloric effect so small in ferroelectrics? SO APL MATERIALS LA English DT Article ID SOLID-STATE REFRIGERATION; TEMPERATURE AB Ferroelectrics are attractive candidate materials for environmentally friendly solid state refrigeration free of greenhouse gases. Their thermal response upon variations of external electric fields is largest in the vicinity of their phase transitions, which may occur near room temperature. The magnitude of the effect, however, is too small for useful cooling applications even when they are driven close to dielectric breakdown. Insight from microscopic theory is therefore needed to characterize materials and provide guiding principles to search for new ones with enhanced electrocaloric performance. Here, we derive from well-known microscopic models of ferroelectricity meaningful figures of merit for a wide class of ferroelectric materials. Such figures of merit provide insight into the relation between the strength of the effect and the characteristic interactions of ferroelectrics such as dipolar forces. We find that the long range nature of these interactions results in a small effect. A strategy is proposed to make it larger by shortening the correlation lengths of fluctuations of polarization. In addition, we bring into question other widely used but empirical figures of merit and facilitate understanding of the recently observed secondary broad peak in the electrocalorics of relaxor ferroelectrics. (C) 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license. C1 [Guzman-Verri, G. G.] Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Guzman-Verri, G. G.] Univ Costa Rica, Ctr Invest Ciencia & Ingn Mat, San Jose 11501, Costa Rica. [Littlewood, P. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Littlewood, P. B.] Univ Chicago, James Franck Inst, 929 E 57 St, Chicago, IL 60637 USA. RP Guzman-Verri, GG (reprint author), Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Guzman-Verri, GG (reprint author), Univ Costa Rica, Ctr Invest Ciencia & Ingn Mat, San Jose 11501, Costa Rica. FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We acknowledge useful discussions with Neil Mathur, Sohini Kar-Narayan, Xavier Moya, Karl Sandeman, and Chandra Varma. We thank James Scott for his comments and suggestions on the manuscript. Work at Argonne is supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 44 TC 1 Z9 1 U1 28 U2 40 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2016 VL 4 IS 6 AR 064106 DI 10.1063/1.4950788 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DQ2OQ UT WOS:000379042400010 ER PT J AU Park, J Ahn, Y Tilka, JA Sampson, KC Savage, DE Prance, JR Simmons, CB Lagally, MG Coppersmith, SN Eriksson, MA Holt, MV Evans, PG AF Park, J. Ahn, Y. Tilka, J. A. Sampson, K. C. Savage, D. E. Prance, J. R. Simmons, C. B. Lagally, M. G. Coppersmith, S. N. Eriksson, M. A. Holt, M. V. Evans, P. G. TI Electrode-stress-induced nanoscale disorder in Si quantum electronic devices SO APL MATERIALS LA English DT Article ID MISFIT DISLOCATIONS; SPIN QUBIT; THIN-FILMS; SILICON; STRAIN; DOT; HETEROSTRUCTURES; DISTORTIONS; ORIENTATION; MOBILITY AB Disorder in the potential-energy landscape presents a major obstacle to the more rapid development of semiconductor quantum device technologies. We report a large-magnitude source of disorder, beyond commonly considered unintentional background doping or fixed charge in oxide layers: nanoscale strain fields induced by residual stresses in nanopatterned metal gates. Quantitative analysis of synchrotron coherent hard x-ray nanobeam diffraction patterns reveals gate-induced curvature and strains up to 0.03% in a buried Si quantum well within a Si/SiGe heterostructure. Electrode stress presents both challenges to the design of devices and opportunities associated with the lateral manipulation of electronic energy levels. (C) 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license. C1 [Park, J.; Ahn, Y.; Tilka, J. A.; Sampson, K. C.; Savage, D. E.; Lagally, M. G.; Eriksson, M. A.; Evans, P. G.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Prance, J. R.; Simmons, C. B.; Lagally, M. G.; Coppersmith, S. N.; Eriksson, M. A.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Holt, M. V.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Evans, PG (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. EM pgevans@wisc.edu RI Evans, Paul/A-9260-2009; Prance, Jonathan/B-3536-2013 OI Evans, Paul/0000-0003-0421-6792; Prance, Jonathan/0000-0001-5009-383X FU U.S. DOE, Basic Energy Sciences, Materials Sciences and Engineering [DE-FG02-04ER46147]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy [DE-FG02-03ER46028]; ARO [W911NF-08-1-0482, W911NF-12-1-0607]; NSF [DMR-1206915]; NSF MRSEC program [DMR-1121288]; National Science Foundation [DGE-1256259] FX J.P., Y.A., and P.G.E. acknowledge support from the U.S. DOE, Basic Energy Sciences, Materials Sciences and Engineering, under Contract No. DE-FG02-04ER46147 for the x-ray scattering studies and analysis. Use of the Center for Nanoscale Materials and the Advanced Photon Source, both Office of Science user facilities, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Development and maintenance of the growth facilities used for fabricating samples is supported by the Department of Energy (Grant No. DE-FG02-03ER46028). The other authors acknowledge support from ARO (Grant Nos. W911NF-08-1-0482 and W911NF-12-1-0607) and NSF (Grant No. DMR-1206915). This research used shared facilities at the University of Wisconsin-Madison supported by the NSF MRSEC program under Grant No. DMR-1121288. J.A.T. acknowledges support from the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1256259. We gratefully acknowledge experimental assistance from John P. Dodson. NR 40 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 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2016 VL 4 IS 6 AR 066102 DI 10.1063/1.4954054 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DQ2OQ UT WOS:000379042400016 ER PT J AU Kerfeld, CA Melnicki, MR AF Kerfeld, Cheryl A. Melnicki, Matthew R. TI Assembly, function and evolution of cyanobacterial carboxysomes SO CURRENT OPINION IN PLANT BIOLOGY LA English DT Review ID BISPHOSPHATE CARBOXYLASE/OXYGENASE RUBISCO; INTRINSICALLY DISORDERED PROTEINS; CARBONIC-ANHYDRASE; THIOBACILLUS-NEAPOLITANUS; HALOTHIOBACILLUS-NEAPOLITANUS; BACTERIAL MICROCOMPARTMENT; SHELL PROTEINS; CONCENTRATING MECHANISM; SYNECHOCYSTIS PCC6803; SYNTHETIC BIOLOGY AB All cyanobacteria contain carboxysomes, RuBisCO-encapsulating bacterial microcompartments that function as prokaryotic organelles. The two carboxysome types, alpha and beta, differ fundamentally in components, assembly, and species distribution. Alpha carboxysomes share a highly conserved gene organization, with evidence of horizontal gene transfer from chemoautotrophic proteobacteria to the picocyanobacteria, and seem to co-assemble shells concomitantly with aggregation of cargo enzymes. In contrast, beta carboxysomes assemble an enzymatic core first, with an encapsulation peptide playing a critical role in formation of the surrounding shell. Based on similarities in assembly, and phylogenetic analysis of the pentameric shell protein conserved across all bacterial microcompartments, beta carboxysomes appear to be more closely related to the microcompartments of heterotrophic bacteria (metabolosomes) than to alpha carboxysomes, which appear deeply divergent. Beta carboxysomes can be found in the basal cyanobacterial clades that diverged before the ancestor of the chloroplast and have recently been shown to be able to encapsulate functional RuBisCO enzymes resurrected from ancestrally-reconstructed sequences, consistent with an ancient origin. Alpha and beta carboxysomes are not only distinct units of evolution, but are now emerging as genetic/metabolic modules for synthetic biology; heterologous expression and redesign of both the shell and the enzymatic core have recently been achieved. C1 [Kerfeld, Cheryl A.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Kerfeld, Cheryl A.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Kerfeld, Cheryl A.; Melnicki, Matthew R.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.; Melnicki, Matthew R.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Kerfeld, CA (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.; Kerfeld, CA (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA.; Kerfeld, CA (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM ckerfeld@lbl.gov FU Office of Science of the U.S. Department of Energy [DE-FG02-91ER20021] FX We thank members of the Kerfeld lab for engaging discussions, Dr. C. Raul Gonzalez for electron micrographs of cyanobacteria, and Dr. Fei Cai for micrographs of purified carboxysome shells and for a critical reading and assistance in revising this manuscript. This work was supported by the Office of Science of the U.S. Department of Energy DE-FG02-91ER20021 and with infrastructure support from MSU AgBio Research. NR 81 TC 6 Z9 6 U1 23 U2 39 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5266 EI 1879-0356 J9 CURR OPIN PLANT BIOL JI Curr. Opin. Plant Biol. PD JUN PY 2016 VL 31 BP 66 EP 75 DI 10.1016/j.pbi.2016.03.009 PG 10 WC Plant Sciences SC Plant Sciences GA DQ3LF UT WOS:000379103100011 PM 27060669 ER PT J AU Borland, AM Guo, HB Yang, XH Cushman, JC AF Borland, Anne M. Guo, Hao-Bo Yang, Xiaohan Cushman, John C. TI Orchestration of carbohydrate processing for crassulacean acid metabolism SO CURRENT OPINION IN PLANT BIOLOGY LA English DT Review ID PLANT MESEMBRYANTHEMUM-CRYSTALLINUM; COMMON ICE PLANT; STARCH DEGRADATION; BIOENERGY PRODUCTION; CAM PHOTOSYNTHESIS; SUGAR TRANSPORTERS; VACUOLAR MEMBRANE; TRANSITORY STARCH; ANANAS-COMOSUS; ARABIDOPSIS AB The production of phosphoenolpyruvate as a substrate for nocturnal CO2 uptake represents a significant sink for carbohydrate in CAM plants which has to be balanced with the provisioning of carbohydrate for growth and maintenance. In starch-storing CAM species, diversification in chloroplast metabolite transporters, and the deployment of both phosphorolytic and hydrolytic routes of starch degradation accommodate a division of labour in directing C-skeletons towards nocturnal carboxylation or production of sucrose for growth. In soluble-sugar storing CAM plants, the vacuole plays a central role in managing carbon homeostasis. The molecular identities of various types of vacuolar sugar transporters have only been identified for C-3 species within the last 10 years. The recent availability of CAM genomes enables the identification of putative orthologues of vacuolar sugar transporters which represent strategic targets for orchestrating the diel provisioning of substrate for nocturnal carboxylation and growth. C1 [Borland, Anne M.] Newcastle Univ, Sch Biol, Newcastle Upon Tyne NE17 RU, Tyne & Wear, England. [Borland, Anne M.; Yang, Xiaohan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Guo, Hao-Bo] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Cushman, John C.] Univ Nevada, Dept Biochem & Mol Biol, MS330, Reno, NV 89557 USA. RP Borland, AM (reprint author), Newcastle Univ, Sch Biol, Newcastle Upon Tyne NE17 RU, Tyne & Wear, England.; Borland, AM (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM Anne.borland@ncl.ac.uk RI Yang, Xiaohan/A-6975-2011; OI Yang, Xiaohan/0000-0001-5207-4210; Guo, Hao-Bo/0000-0003-1321-1758 FU European Commission [MCA 252491]; DOE, Office of Science, Genomic Science Program [DE-SC0008834]; US DOE [DE-AC05-00OR22725] FX This review is based on work supported by the European Commission (MCA 252491) and the DOE, Office of Science, Genomic Science Program under Award Number DE-SC0008834. We are grateful to Professor Andrew Smith (Oxford) for discussions pertaining to vacuolar sugar transporters. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the US DOE under Contract Number DE-AC05-00OR22725. NR 50 TC 1 Z9 1 U1 8 U2 16 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5266 EI 1879-0356 J9 CURR OPIN PLANT BIOL JI Curr. Opin. Plant Biol. PD JUN PY 2016 VL 31 BP 118 EP 124 DI 10.1016/j.pbi.2016.04.001 PG 7 WC Plant Sciences SC Plant Sciences GA DQ3LF UT WOS:000379103100017 PM 27101569 ER PT J AU Miller, P Moorman, M Manginell, R Ashlee, C Brener, I Wheeler, D Narayan, R Polsky, R AF Miller, Philip Moorman, Matthew Manginell, Ron Ashlee, Carlee Brener, Igal Wheeler, David Narayan, Roger Polsky, Ronen TI Towards an Integrated Microneedle Total Analysis Chip for Protein Detection SO ELECTROANALYSIS LA English DT Article DE lab-on-chip; biosensor; immunoassay; microneedle; myoglobin; troponin ID ARRAYS AB Real-time monitoring of an individual's physiologic state without constant observation by a healthcare professional necessitates the construction of an autonomous remote diagnostic device that is capable of performing a wide range of diagnostic functions. For many applications, assessing the immediate physiologic state of an individual as he or she is continuously exposed to diverse environments would require complex dynamic chemical processing scenarios that are capable of real time readouts. We seek to answer these problems by combining in vivo microneedle platforms with multifunctional lab-on-chip electrode arrays that are capable of detecting a wide variety of relevant biomarkers. The results presented here provide an important proof-of-concept demonstration of integration of microneedles with a microchip platform containing fluidic channels and electrode transducers. As shown by immunoassay detection of myoglobin and troponin, such a device may be used to extract interstitial fluid and monitor biologically important molecules. C1 [Miller, Philip; Moorman, Matthew; Manginell, Ron; Ashlee, Carlee; Brener, Igal; Wheeler, David; Polsky, Ronen] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Narayan, Roger] Univ North Carolina & North Carolina State Univ, Joint Dept Biomed Engn, Raleigh, NC 27695 USA. RP Polsky, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rpolsky@sandia.gov FU Defense Threat Reduction Agency [IA: DTRA10027-4390]; SNL Project [164370] FX This work was funded by the Defense Threat Reduction Agency under Contract: IA: DTRA10027-4390, SNL Project 164370 NR 12 TC 1 Z9 1 U1 11 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1040-0397 EI 1521-4109 J9 ELECTROANAL JI Electroanalysis PD JUN PY 2016 VL 28 IS 6 SI SI BP 1305 EP 1310 DI 10.1002/elan.201600063 PG 6 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA DQ2NL UT WOS:000379039000013 ER PT J AU Wang, C AF Wang, Chao TI A Computational Analysis of Functionally Graded Anode in Solid Oxide Fuel Cell by Involving the Correlations of Microstructural Parameters SO ENERGIES LA English DT Article DE solid oxide fuel cells (SOFCs); functionally graded electrodes (FGEs); microstructural parameters correlations; numerical simulation; conventional non-graded electrodes ID ELECTRODES; CATHODES AB Functionally-graded electrodes (FGEs) have shown great potential in improving solid oxide fuel cells' (SOFCs) performance. In order to produce predictions of real FGE operations, a comprehensive numerical model that takes into account all the microstructure parameters, together with two sub model correlations, i.e., porosity-tortuosity, and porosity-particle size ratio, is utilized, aiming to provide a novel approach to demonstrate the advantages of FGEs for SOFCs. Porosity grading and particle size grading are explored by using this implemented model as a baseline. Multiple types of grading cases are tested in order to study the FGEs at a micro-scale level. Comparison between the FGEs and conventional non-graded electrodes (uniform random composites) is conducted to investigate the potential of FGEs for SOFCs. This study essentially focuses on presenting a new perspective to examine the real-world FGEs performance by involving the correlations of physically connected micro-structural parameters. C1 [Wang, Chao] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. RP Wang, C (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM chao.wang@pnnl.gov FU Center of Advanced Power and Energy Conversion (CAPEC) at Wright State University; Wright-Patterson Air Force Base (WPAFB) FX The work described in the paper was part of the project supported by Center of Advanced Power and Energy Conversion (CAPEC) at Wright State University and Wright-Patterson Air Force Base (WPAFB). The author also acknowledges the support from the Pacific Northwest National Laboratory (PNNL) for providing the mathematical simulation environment. NR 13 TC 0 Z9 0 U1 1 U2 1 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1996-1073 J9 ENERGIES JI Energies PD JUN PY 2016 VL 9 IS 6 AR 408 DI 10.3390/en9060408 PG 8 WC Energy & Fuels SC Energy & Fuels GA DP9YQ UT WOS:000378854400021 ER PT J AU Wyrobek, AJ Britten, RA AF Wyrobek, Andrew J. Britten, Richard A. TI Individual variations in dose response for spatial memory learning among outbred wistar rats exposed from 5 to 20 cGy of Fe-56 particles SO ENVIRONMENTAL AND MOLECULAR MUTAGENESIS LA English DT Article DE socially mature; males; retired breeders; dose response; linearity; low dose; HZE (high mass (Z) and high energy) particles; Fe-56 1GeV; n; high linear energy transfer (LET) radiation; Barnes Maze; spatial memory learning; ESL; escape latency; REL3 ratio (relative escape latency after 3 days of training); space radiation; sensitive; resistant; susceptible ID CENTRAL-NERVOUS-SYSTEM; FE-56-PARTICLE RADIATION; HYPER-RADIOSENSITIVITY; COGNITIVE PERFORMANCE; IONIZING-RADIATION; MOUSE HIPPOCAMPUS; OXIDATIVE STRESS; C57BL/6J MICE; IRRADIATION; CELLS AB Exposures of brain tissue to ionizing radiation can lead to persistent deficits in cognitive functions and behaviors. However, little is known about the quantitative relationships between exposure dose and neurological risks, especially for lower doses and among genetically diverse individuals. We investigated the dose relationship for spatial memory learning among genetically outbred male Wistar rats exposed to graded doses of Fe-56 particles (sham, 5, 10, 15, and 20 cGy; 1 GeV/n). Spatial memory learning was assessed on a Barnes maze using REL3 ratios measured at three months after exposure. Irradiated animals showed dose-dependent declines in spatial memory learning that were fit by a linear regression (P for slope <0.0002). The irradiated animals showed significantly impaired learning at 10 cGy exposures, no detectable learning between 10 and 15 cGy, and worsened performances between 15 and 20 cGy. The proportions of poor learners and the magnitude of their impairment were fit by linear regressions with doubling doses of approximate to 10 cGy. In contrast, there were no detectable deficits in learning among the good learners in this dose range. Our findings suggest that genetically diverse individuals can vary substantially in their spatial memory learning, and that exposures at low doses appear to preferentially impact poor learners. This hypothesis invites future investigations of the genetic and physiological mechanisms of inter-individual variations in brain function related to spatial memory learning after low-dose HZE radiation exposures and to determine whether it also applies to physical trauma to brain tissue and exposures to chemical neurotoxicants. Environ. Mol. Mutagen. 57:331-340, 2016. (c) 2016 Wiley Periodicals, Inc. C1 [Wyrobek, Andrew J.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA. [Britten, Richard A.] Eastern Virginia Med Sch, Dept Radiat Oncol, Norfolk, VA 23501 USA. [Britten, Richard A.] Eastern Virginia Med Sch, Leroy T Canoles Jr Canc Ctr, Norfolk, VA 23501 USA. RP Wyrobek, AJ (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA. EM ajwyrobek@lbl.gov FU NASA [NNJ06HD89D, NNX11AC56G] FX Grant sponsor: NASA; Grant numbers: NNJ06HD89D, NNX11AC56G. NR 61 TC 1 Z9 1 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0893-6692 EI 1098-2280 J9 ENVIRON MOL MUTAGEN JI Environ. Mol. Mutagen. PD JUN PY 2016 VL 57 IS 5 SI SI BP 331 EP 340 DI 10.1002/em.22018 PG 10 WC Environmental Sciences; Genetics & Heredity; Toxicology SC Environmental Sciences & Ecology; Genetics & Heredity; Toxicology GA DQ4AV UT WOS:000379146300003 PM 27237589 ER PT J AU Smith, GS Ghio, AJ Stout, JE Messier, KP Hudgens, EE Murphy, MS Pfaller, SL Maillard, JM Hilborn, ED AF Smith, Genee S. Ghio, Andrew J. Stout, Jason E. Messier, Kyle P. Hudgens, Edward E. Murphy, Mark S. Pfaller, Stacy L. Maillard, Jean-Marie Hilborn, Elizabeth D. TI Epidemiology of nontuberculous mycobacteria isolations among central North Carolina residents, 2006-2010 SO JOURNAL OF INFECTION LA English DT Article DE Nontuberculous; Mycobacteria; Mycobacterium avium complex; Environmental mycobacteria; Epidemiology; Isolation prevalence; Human ID HUMAN PULMONARY INFECTION; LUNG-DISEASE; ISOLATION PREVALENCE; FEATURES; ONTARIO AB Background: Nontuberculous mycobacteria (NTM) are environmental mycobacteria associated with a range of infections. Reports of NTM epidemiology have primarily focused on pulmonary infections and isolations, however extrapulmonary infections of the skin, soft tissues and sterile sites are less frequently described. Methods: We comprehensively reviewed laboratory reports of NTM isolation from North Carolina residents of three counties during 2006-2010. We describe age, gender, and race of patients, and anatomic site of isolation for NTM species. Results: Among 1033 patients, overall NTM isolation prevalence was 15.9/100,000 persons (13.7/100,000 excluding Mycobacterium gordonae). Prevalence was similar between genders and increased significantly with age. Extrapulmonary isolations among middle-aged black males and pulmonary isolations among elderly white females were most frequently detected. Most isolations from pulmonary sites and blood cultures were Mycobacterium avium complex; rapidly growing NTM (e.g. Mycobacterium chelonae, Mycobacterium fortuitum) were most often isolated from paranasal sinuses, wounds and skin. Conclusions: We provide the first characterization of NTM isolation prevalence in the Southeastern United States (U.S.). Variation in isolation prevalence among counties and races likely represent differences in detection, demographics and risk factors. Further characterization of NTM epidemiology is increasingly important as percentages of immunocompromised individuals and the elderly increase in the U.S. population. Published by Elsevier Ltd on behalf of The British Infection Association. C1 [Smith, Genee S.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Ghio, Andrew J.; Hudgens, Edward E.; Hilborn, Elizabeth D.] US EPA, MD 58A, Res Triangle Pk, NC 27711 USA. [Stout, Jason E.] Duke Univ, Med Ctr, Durham, NC USA. [Messier, Kyle P.] Univ N Carolina, Chapel Hill, NC USA. [Murphy, Mark S.] Innovate Inc, Alexandria, VA USA. [Pfaller, Stacy L.] US EPA, Cincinnati, OH 45268 USA. [Maillard, Jean-Marie] NC Dept Hlth & Human Serv, Raleigh, NC USA. RP Hilborn, ED (reprint author), US EPA, MD 58A, Res Triangle Pk, NC 27711 USA. EM hilborn.e@epa.gov OI Stout, Jason/0000-0002-6698-8176 FU U.S. Environmental Protection Agency [EP13D000041, DW89922983] FX We thank those who kindly assisted with data access: Katherine Link, Duke University Medical Center, Durham, North Carolina; Barbara Body, LabCorp, Burlington, North Carolina; Ellen Fortenberry and Mitzi Kelbaugh, North Carolina Department of Health and Human Services, Raleigh, North Carolina; Diane Powers, Jason Elder and Nathan Mize, Rex Hospital, Raleigh, North Carolina; Melissa Miller, Alan Kerr and Andrea Reed, University of North Carolina Hospitals, Chapel Hill, North Carolina; Janice Kloppenburg, Quest Diagnostics, Charlotte, North Carolina. This work was supported by U.S. Environmental Protection Agency [Contract #EP13D000041; IA#DW89922983]. NR 30 TC 2 Z9 2 U1 0 U2 1 PU W B SAUNDERS CO LTD PI LONDON PA 32 JAMESTOWN RD, LONDON NW1 7BY, ENGLAND SN 0163-4453 EI 1532-2742 J9 J INFECTION JI J. Infect. PD JUN PY 2016 VL 72 IS 6 BP 678 EP 686 DI 10.1016/j.jinf.2016.03.008 PG 9 WC Infectious Diseases SC Infectious Diseases GA DQ3RK UT WOS:000379119600005 PM 26997636 ER PT J AU Somma, RD AF Somma, Rolando D. TI A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation SO JOURNAL OF MATHEMATICAL PHYSICS LA English DT Article ID MANY-BODY THEORIES; QUANTUM ALGORITHMS; PHYSICS AB We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems. Published by AIP Publishing. C1 [Somma, Rolando D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Somma, RD (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM somma@lanl.gov FU U.S. DOE through the LDRD program at LANL [DE-AC52-06NA25396] FX We thank C. Batista at LANL for enlightening discussions. This work was performed under the auspices of the U.S. DOE Contract No. DE-AC52-06NA25396 through the LDRD program at LANL. NR 25 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0022-2488 EI 1089-7658 J9 J MATH PHYS JI J. Math. Phys. PD JUN PY 2016 VL 57 IS 6 AR 062202 DI 10.1063/1.4952761 PG 8 WC Physics, Mathematical SC Physics GA DQ4IT UT WOS:000379168200012 ER PT J AU Blom, P Marcillo, O Arrowsmith, S AF Blom, Philip Marcillo, Omar Arrowsmith, Stephen TI Analysis and modeling of infrasound from a four-stage rocket launch SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article ID PROPAGATION; ATMOSPHERE AB Infrasound from a four-stage sounding rocket was recorded by several arrays within 100 km of the launch pad. Propagation modeling methods have been applied to the known trajectory to predict infrasonic signals at the ground in order to identify what information might be obtained from such observations. There is good agreement between modeled and observed back azimuths, and predicted arrival times for motor ignition signals match those observed. The signal due to the high-altitude stage ignition is found to be low amplitude, despite predictions of weak attenuation. This lack of signal is possibly due to inefficient aeroacoustic coupling in the rarefied upper atmosphere. (C) 2016 Acoustical Society of America. C1 [Blom, Philip; Marcillo, Omar] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Arrowsmith, Stephen] Sandia Natl Labs, Albuquerque, NM 87321 USA. RP Blom, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pblom@lanl.gov FU U.S. Department of Energy through the LANL Laboratory Directed Research Development Program FX We gratefully acknowledge the support of the U.S. Department of Energy through the LANL Laboratory Directed Research Development Program for this work. We would also like to thank Kolbjorn Blix Dahle, Director of the ALOMAR observatory, Sandra Blindheim at Andoya Space Center for providing ground-truth data on the rocket launch, as well as Diane Baker, Rory Mcdougall and Jan Arne Soreng for their assistance with array deployments. The NASA GEOS-5 atmospheric data analysis fields corresponding to this event utilized in conjunction with other data sources in the NRL G2S atmospheric specification were provided by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center through the online data portal in the NASA Center for Climate Simulation. The corresponding NOAA GFS analysis field also utilized G2S specifications, were obtained from NOAA's National Operational Model Archive and Distribution System (NOMADS), which is maintained at NOAA's National Climatic Data Center (NCDC). NR 15 TC 0 Z9 0 U1 2 U2 3 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0001-4966 EI 1520-8524 J9 J ACOUST SOC AM JI J. Acoust. Soc. Am. PD JUN PY 2016 VL 139 IS 6 BP 3134 EP 3138 DI 10.1121/1.4953817 PG 5 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA DQ4HN UT WOS:000379164900027 PM 27369137 ER PT J AU Pyatina, T Sugama, T Moon, J James, S AF Pyatina, Tatiana Sugama, Toshifumi Moon, Juhyuk James, Simon TI Effect of Tartaric Acid on Hydration of a Sodium-Metasilicate-Activated Blend of Calcium Aluminate Cement and Fly Ash SO MATERIALS LA English DT Article DE calcium aluminate cement; alkali activated cement; fly ash; retardation; microstructure ID ALKALINE ACTIVATION; MICROSTRUCTURE DEVELOPMENT; ELEVATED-TEMPERATURE; CURING TEMPERATURE; PORTLAND-CEMENT; DTA-TGA; S-H; METAKAOLIN; ZEOLITES; SILICATE AB An alkali-activated blend of aluminum cement and class F fly ash is an attractive solution for geothermal wells where cement is exposed to significant thermal shocks and aggressive environments. Set-control additives enable the safe cement placement in a well but may compromise its mechanical properties. This work evaluates the effect of a tartaric-acid set retarder on phase composition, microstructure, and strength development of a sodium-metasilicate-activated calcium aluminate/fly ash class F blend after curing at 85 degrees C, 200 degrees C or 300 degrees C. The hardened materials were characterized with X-ray diffraction, thermogravimetric analysis, X-ray computed tomography, and combined scanning electron microscopy/energy-dispersive X-ray spectroscopy and tested for mechanical strength. With increasing temperature, a higher number of phase transitions in non-retarded specimens was found as a result of fast cement hydration. The differences in the phase compositions were also attributed to tartaric acid interactions with metal ions released by the blend in retarded samples. The retarded samples showed higher total porosity but reduced percentage of large pores (above 500 mu m) and greater compressive strength after 300 degrees C curing. Mechanical properties of the set cements were not compromised by the retarder. C1 [Pyatina, Tatiana; Sugama, Toshifumi] Brookhaven Natl Lab, Upton, NY 11973 USA. [Moon, Juhyuk] Natl Univ Singapore, Dept Civil & Environm Engn, 1 Engn Dr 2, Singapore 117576, Singapore. [James, Simon] Schlumberger Riboud Prod Ctr, 1 Rue Henri Becquerel, F-92140 Clamart, France. RP Pyatina, T (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM tpyatina@bnl.gov; sugama@bnl.gov; ceemjh@nus.edu.sg; james6@slb.com OI Moon, Juhyuk/0000-0002-7049-892X FU Geothermal Technologies Office in the US Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE), under US DOE, Washington, DC [DE-AC02-98CH 10886]; U.S. DOE, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This publication was based on the work supported by the Geothermal Technologies Office in the US Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE), under the auspices of the US DOE, Washington, DC, under Contract No. DE-AC02-98CH 10886. The research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. DOE, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 59 TC 1 Z9 1 U1 9 U2 12 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1996-1944 J9 MATERIALS JI Materials PD JUN PY 2016 VL 9 IS 6 AR 422 DI 10.3390/ma9060422 PG 19 WC Materials Science, Multidisciplinary SC Materials Science GA DP6TB UT WOS:000378630600021 ER PT J AU Tu, QC Deng, Y Yan, QY Shen, LN Lin, L He, ZL Wu, LY Van Nostrand, JD Buzzard, V Michaletz, ST Enquist, BJ Weiser, MD Kaspari, M Waide, RB Brown, JH Zhou, JZ AF Tu, Qichao Deng, Ye Yan, Qingyun Shen, Lina Lin, Lu He, Zhili Wu, Liyou Van Nostrand, Joy D. Buzzard, Vanessa Michaletz, Sean T. Enquist, Brian J. Weiser, Michael D. Kaspari, Michael Waide, Robert B. Brown, James H. Zhou, Jizhong TI Biogeographic patterns of soil diazotrophic communities across six forests in the North America SO MOLECULAR ECOLOGY LA English DT Article DE biogeography; diversity gradients; nifH; soil diazotrophs; taxa-area relationship ID LATITUDINAL DIVERSITY GRADIENT; SPECIES-AREA RELATIONSHIP; BACTERIAL COMMUNITIES; GENE DIVERSITY; HABITAT HETEROGENEITY; MICROBIAL COMMUNITIES; GLOBAL PATTERNS; BIODIVERSITY; FIXATION; MICROENVIRONMENTS AB Soil diazotrophs play important roles in ecosystem functioning by converting atmospheric N-2 into biologically available ammonium. However, the diversity and distribution of soil diazotrophic communities in different forests and whether they follow biogeographic patterns similar to macroorganisms still remain unclear. By sequencing nifH gene amplicons, we surveyed the diversity, structure and biogeographic patterns of soil diazotrophic communities across six North American forests (126 nested samples). Our results showed that each forest harboured markedly different soil diazotrophic communities and that these communities followed traditional biogeographic patterns similar to plant and animal communities, including the taxa-area relationship (TAR) and latitudinal diversity gradient. Significantly higher community diversity and lower microbial spatial turnover rates (i.e. z-values) were found for rainforests (similar to 0.06) than temperate forests (similar to 0.1). The gradient pattern of TARs and community diversity was strongly correlated (r(2) > 0.5) with latitude, annual mean temperature, plant species richness and precipitation, and weakly correlated (r(2) < 0.25) with pH and soil moisture. This study suggests that even microbial subcommunities (e.g. soil diazotrophs) follow general biogeographic patterns (e.g. TAR, latitudinal diversity gradient), and indicates that the metabolic theory of ecology and habitat heterogeneity may be the major underlying ecological mechanisms shaping the biogeographic patterns of soil diazotrophic communities. C1 [Tu, Qichao; Lin, Lu] Zhejiang Univ, Ocean Coll, Dept Marine Sci, Hangzhou 310058, Zhejiang, Peoples R China. [Tu, Qichao; Yan, Qingyun; Shen, Lina; He, Zhili; Wu, Liyou; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Beijing 100085, Peoples R China. [Buzzard, Vanessa; Michaletz, Sean T.; Enquist, Brian J.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. [Michaletz, Sean T.] Los Alamos Natl Lab, Earth & Environm Sci Div, MS J495, Los Alamos, NM 87545 USA. [Enquist, Brian J.] Santa Fe Inst, 1399 Hyde Pk Rd, Santa Fe, NM 87501 USA. [Weiser, Michael D.; Kaspari, Michael] Univ Oklahoma, Dept Biol, EEB Grad Program, Norman, OK 73019 USA. [Kaspari, Michael] Smithsonian Trop Res Inst, Balboa 084303092, Panama. [Waide, Robert B.; Brown, James H.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.; Zhou, JZ (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.; Zhou, JZ (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. EM jzhou@ou.edu OI Michaletz, Sean/0000-0003-2158-6525; ?, ?/0000-0002-7584-0632 FU U.S. National Science Foundation [NSF EF-1065844]; Office of the Vice President for Research at the University of Oklahoma; Collaborative Innovation Center for Regional Environmental Quality; State Key Joint Laboratory of Environment Simulation and Pollution Control FX This study was supported by the U.S. National Science Foundation MacroSystems Biology programme under the contract (NSF EF-1065844), by the Office of the Vice President for Research at the University of Oklahoma, by the Collaborative Innovation Center for Regional Environmental Quality and by the State Key Joint Laboratory of Environment Simulation and Pollution Control. NR 73 TC 1 Z9 1 U1 15 U2 29 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0962-1083 EI 1365-294X J9 MOL ECOL JI Mol. Ecol. PD JUN PY 2016 VL 25 IS 12 BP 2937 EP 2948 DI 10.1111/mec.13651 PG 12 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA DQ1DQ UT WOS:000378941800020 PM 27085668 ER PT J AU Rosenthal, LS Drake, D Alcalay, RN Babcock, D Bowman, FD Chen-Plotkin, A Dawson, TM Dewey, RB German, DC Huang, XM Landin, B McAuliffe, M Petyuk, VA Scherzer, CR Hillaire-Clarke, CS Sieber, BA Sutherland, M Tarn, C West, A Vaillancourt, D Zhang, J Gwinn, K AF Rosenthal, Liana S. Drake, Daniel Alcalay, Roy N. Babcock, Debra Bowman, F. DuBois Chen-Plotkin, Alice Dawson, Ted M. Dewey, Richard B., Jr. German, Dwight C. Huang, Xuemei Landin, Barry McAuliffe, Matthew Petyuk, Vladislav A. Scherzer, Clemens R. Hillaire-Clarke, Coryse St. Sieber, Beth-Anne Sutherland, Margaret Tarn, Chi West, Andrew Vaillancourt, David Zhang, Jing Gwinn, Katrina CA PDBP Consortium TI The NINDS Parkinson's Disease Biomarkers Program SO MOVEMENT DISORDERS LA English DT Article; Proceedings Paper CT International Workshop on Biomarkers in Parkinson's Disease (PD) CY MAY, 2015 CL Assisi, ITALY DE Parkinsonism; disease-modifying strategies; biofluids; data management ID GENOME-WIDE ASSOCIATION; RISK AB Background: Neuroprotection for Parkinson's disease (PD) remains elusive. Biomarkers hold the promise of removing roadblocks to therapy development. The National Institute of Neurological Disorders and Stroke has therefore established the Parkinson's Disease Biomarkers Program to promote discovery of PD biomarkers for use in phase II and III clinical trials. Methods: Using a novel consortium design, the Parkinson's Disease Biomarker Program is focused on the development of clinical and laboratory-based biomarkers for PD diagnosis, progression, and prognosis. Standardized operating procedures and pooled reference samples were created to allow cross-project comparisons and assessment of batch effects. A web-based Data Management Resource facilitates rapid sharing of data and biosamples across the research community for additional biomarker projects. Results: Eleven consortium projects are ongoing, seven of which recruit participants and obtain biosamples. As of October 2014, 1,082 participants have enrolled (620 PD, 101 with other causes of parkinsonism, 23 essential tremor, and 338 controls), 1,040 of whom have at least one biosample. Six thousand eight hundred ninety-eight total biosamples are available from baseline, 6-, 12-, and 18-month visits: 1,006 DNA, 1,661 RNA, 1,419 whole blood, 1,382 plasma, 1,200 serum, and 230 cerebrospinal fluid (CSF). Quality control analysis of plasma, serum, and CSF samples indicates that almost all samples are high quality (24 of 2,812 samples exceed acceptable hemoglobin levels). Conclusions: By making samples and data widely available, using stringent operating procedures based on existing standards, hypothesis testing for biomarker discovery, and providing a resource that complements existing programs, the Parkinson's Disease Biomarker Program will accelerate the pace of PD biomarker research. (C) 2015 International Parkinson and Movement Disorder Society C1 [Rosenthal, Liana S.] Johns Hopkins Univ, Sch Med, Dept Neurol, Baltimore, MD 21205 USA. [Drake, Daniel; Bowman, F. DuBois] Columbia Univ, Dept Biostat, New York, NY USA. [Alcalay, Roy N.] Columbia Univ, Dept Neurol, New York, NY USA. [Babcock, Debra; Hillaire-Clarke, Coryse St.; Sieber, Beth-Anne; Sutherland, Margaret; Gwinn, Katrina] NINDS, NIH, Bldg 36,Rm 4D04, Bethesda, MD 20892 USA. [Chen-Plotkin, Alice] Univ Penn, Dept Neurol, Philadelphia, PA 19104 USA. [Dawson, Ted M.] Johns Hopkins Univ, Sch Med, Solomon H Snyder Dept Neurosci Pharmacol & Mol Sc, Inst Cell Engn,Neuroregenerat Program, Baltimore, MD USA. [Dawson, Ted M.] Johns Hopkins Univ, Sch Med, Solomon H Snyder Dept Neurosci Pharmacol & Mol Sc, Inst Cell Engn,Stem Cell Program, Baltimore, MD USA. [Dewey, Richard B., Jr.] Univ Texas Southwestern Med Ctr, Dept Neurol & Neurotherapeut, Dallas, TX USA. [German, Dwight C.] Univ Texas Southwestern Med Ctr, Dept Psychiat, Dallas, TX USA. [Huang, Xuemei] Penn State Hershey Med Ctr, Dept Neurol, Hershey, PA USA. [Landin, Barry; McAuliffe, Matthew] NIH, Ctr Informat Technol, Bldg 10, Bethesda, MD 20892 USA. [Petyuk, Vladislav A.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA USA. [Scherzer, Clemens R.] Harvard Med Sch, Brigham & Womens Hosp, Dept Neurol, Cambridge, MA USA. [Tarn, Chi] Coriell Inst Med Res, Camden, NJ USA. [West, Andrew] Univ Alabama Birmingham, Dept Neurol, Birmingham, AL USA. [Vaillancourt, David] Univ Florida, Dept Appl Physiol & Kinesiol, Gainesville, FL USA. [Zhang, Jing] Univ Washington, Dept Pathol, Seattle, WA 98195 USA. RP Rosenthal, LS (reprint author), 10751 Falls Rd,Suite 250, Lutherville Timonium, MD 21093 USA. EM liana.rosenthal@jhmi.edu OI Gwinn, Katrina/0000-0002-8277-651X FU CIT NIH HHS [ZIH CT000272]; NCRR NIH HHS [UL1 RR033184]; NINDS NIH HHS [K02 NS080915, P50 NS038377, R01 NS075012, U01 NS082133, U01 NS082134, U01 NS082137, U01 NS082148, U01 NS082151, U01 NS082157, U18 NS082132, U18 NS082140, U18 NS082143] NR 16 TC 6 Z9 6 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0885-3185 EI 1531-8257 J9 MOVEMENT DISORD JI Mov. Disord. PD JUN PY 2016 VL 31 IS 6 BP 915 EP 923 DI 10.1002/mds.26438 PG 9 WC Clinical Neurology SC Neurosciences & Neurology GA DQ4KL UT WOS:000379172600015 PM 26442452 ER PT J AU Bu, LZ Guo, SJ Zhang, X Shen, X Su, D Lu, G Zhu, X Yao, JL Guo, J Huang, XQ AF Bu, Lingzheng Guo, Shaojun Zhang, Xu Shen, Xuan Su, Dong Lu, Gang Zhu, Xing Yao, Jianlin Guo, Jun Huang, Xiaoqing TI Surface engineering of hierarchical platinum-cobalt nanowires for efficient electrocatalysis SO NATURE COMMUNICATIONS LA English DT Article ID OXYGEN REDUCTION REACTION; FUEL-CELLS; BIMETALLIC NANOCRYSTALS; COMPUTATIONAL DESIGN; ALLOY NANOPARTICLES; CATALYSTS; ENERGY; PD; METALS AB Despite intense research in past decades, the lack of high-performance catalysts for fuel cell reactions remains a challenge in realizing fuel cell technologies for transportation applications. Here we report a facile strategy for synthesizing hierarchical platinum-cobalt nanowires with high-index, platinum-rich facets and ordered intermetallic structure. These structural features enable unprecedented performance for the oxygen reduction and alcohol oxidation reactions. The specific/mass activities of the platinum-cobalt nanowires for oxygen reduction reaction are 39.6/33.7 times higher than commercial Pt/C catalyst, respectively. Density functional theory simulations reveal that the active threefold hollow sites on the platinum-rich high-index facets provide an additional factor in enhancing oxygen reduction reaction activities. The nanowires are stable in the electrochemical conditions and also thermally stable. This work may represent a key step towards scalable production of high-performance platinum-based nanowires for applications in catalysis and energy conversion. C1 [Bu, Lingzheng; Yao, Jianlin; Huang, Xiaoqing] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China. [Guo, Shaojun] Peking Univ, Coll Engn, Dept Mat Sci & Engn, Beijing 100871, Peoples R China. [Guo, Shaojun] Peking Univ, Coll Engn, Dept Energy & Resources Engn, Beijing 100871, Peoples R China. [Zhang, Xu; Lu, Gang] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. [Shen, Xuan; Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Zhu, Xing; Guo, Jun] Soochow Univ, Testing & Anal Ctr, Suzhou 215123, Jiangsu, Peoples R China. RP Huang, XQ (reprint author), Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China.; Guo, SJ (reprint author), Peking Univ, Coll Engn, Dept Mat Sci & Engn, Beijing 100871, Peoples R China.; Guo, SJ (reprint author), Peking Univ, Coll Engn, Dept Energy & Resources Engn, Beijing 100871, Peoples R China. EM guosj@pku.edu.cn; hxq006@suda.edu.cn RI Su, Dong/A-8233-2013; Guo, Shaojun/A-8449-2011 OI Su, Dong/0000-0002-1921-6683; Guo, Shaojun/0000-0002-5941-414X FU Soochow University; Peking University, Young Thousand Talented Program; National Natural Science Foundation of China [21571135]; National Basic Research Program of China (Battery); Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD); US Army Research Office via the MURI grant [W911NF-11-1-0353]; US Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX This work was financially supported by the start-up supports from the Soochow University and Peking University, Young Thousand Talented Program, the National Natural Science Foundation of China (21571135), the National Basic Research Program of China (Battery) and the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD). The work at California State University Northridge was supported by the US Army Research Office via the MURI grant W911NF-11-1-0353. TEM work carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-SC0012704. NR 48 TC 12 Z9 12 U1 117 U2 181 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11850 DI 10.1038/ncomms11850 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3ND UT WOS:000379108100001 PM 27353725 ER PT J AU Cai, YH Zhang, KW Kim, H Hou, GC Zhang, XB Yang, HJ Feng, H Miller, L Ralph, J Liu, CJ AF Cai, Yuanheng Zhang, Kewei Kim, Hoon Hou, Guichuan Zhang, Xuebin Yang, Huijun Feng, Huan Miller, Lisa Ralph, John Liu, Chang-Jun TI Enhancing digestibility and ethanol yield of Populus wood via expression of an engineered monolignol 4-O-methyltransferase SO NATURE COMMUNICATIONS LA English DT Article ID CYTOCHROME P450-DEPENDENT MONOOXYGENASE; CINNAMYL-ALCOHOL-DEHYDROGENASE; FERMENTABLE SUGAR YIELDS; ACID-O-METHYLTRANSFERASE; LIGNIN BIOSYNTHESIS; BIOFUEL PRODUCTION; DOWN-REGULATION; FERULATE 5-HYDROXYLASE; REDUCES RECALCITRANCE; ARABIDOPSIS-THALIANA AB Producing cellulosic biofuels and bio-based chemicals from woody biomass is impeded by the presence of lignin polymer in the plant cell wall. Manipulating the monolignol biosynthetic pathway offers a promising approach to improved processability, but often impairs plant growth and development. Here, we show that expressing an engineered 4-O-methyl-transferase that chemically modifies the phenolic moiety of lignin monomeric precursors, thus preventing their incorporation into the lignin polymer, substantially alters hybrid aspens' lignin content and structure. Woody biomass derived from the transgenic aspens shows a 62% increase in the release of simple sugars and up to a 49% increase in the yield of ethanol when the woody biomass is subjected to enzymatic digestion and yeast-mediated fermentation. Moreover, the cell wall structural changes do not affect growth and biomass production of the trees. Our study provides a useful strategy for tailoring woody biomass for bio-based applications. C1 [Cai, Yuanheng; Zhang, Kewei; Zhang, Xuebin; Yang, Huijun; Feng, Huan; Liu, Chang-Jun] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Kim, Hoon; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53726 USA. [Kim, Hoon; Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. [Hou, Guichuan] Appalachian State Univ, Dewel Microscopy Facil, Boone, NC 28608 USA. [Feng, Huan] Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA. [Miller, Lisa] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Zhang, Kewei] Zhejiang Normal Univ, Coll Chem & Life Sci, Jinhua 321004, Zhejiang, Peoples R China. [Yang, Huijun] Cornell Univ, Dept Plant Pathol & Plant Microbe Biol, Ithaca, NY 14853 USA. RP Liu, CJ (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM cliu@bnl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of U.S. Department of Energy (DOE BES) [DEAC0298CH10886]; DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494] FX We thank Dr Paul J. Weimer (USDA, US Dairy Forage Research Center, Madison, WI) for kindly providing yeast fermentation strain D5A; and DuPont (Beloit, WI, USA) for their generous gift of Accellerase 1500. This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE BES) through Grant DEAC0298CH10886 to C.-J.L.; J.R. and H.K. were funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494). NR 67 TC 0 Z9 1 U1 11 U2 18 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11989 DI 10.1038/ncomms11989 PG 14 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3NM UT WOS:000379109000001 PM 27349324 ER PT J AU De Jesus, LR Horrocks, GA Liang, YF Parija, A Jaye, C Wangoh, L Wang, J Fischer, DA Piper, LFJ Prendergast, D Banerjee, S AF De Jesus, Luis R. Horrocks, Gregory A. Liang, Yufeng Parija, Abhishek Jaye, Cherno Wangoh, Linda Wang, Jian Fischer, Daniel A. Piper, Louis F. J. Prendergast, David Banerjee, Sarbajit TI Mapping polaronic states and lithiation gradients in individual V2O5 nanowires SO NATURE COMMUNICATIONS LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; VANADIUM-OXIDE BRONZES; ELECTRONIC-STRUCTURE; LITHIUM BATTERIES; AB-INITIO; ION BATTERIES; CATHODE; INTERCALATION; PENTOXIDE; SPECTRA AB The rapid insertion and extraction of Li-ions from a cathode material is imperative for the functioning of a Li-ion battery. In many cathode materials such as LiCoO2, lithiation proceeds through solid-solution formation, whereas in other materials such as LiFePO4 lithiation/delithiation is accompanied by a phase transition between Li-rich and Li-poor phases. We demonstrate using scanning transmission X-ray microscopy (STXM) that in individual nanowires of layered V2O5, lithiation gradients observed on Li-ion intercalation arise from electron localization and local structural polarization. Electrons localized on the V2O5 framework couple to local structural distortions, giving rise to small polarons that serves as a bottleneck for further Li-ion insertion. The stabilization of this polaron impedes equilibration of charge density across the nanowire and gives rise to distinctive domains. The enhancement in charge/discharge rates for this material on nanostructuring can be attributed to circumventing challenges with charge transport from polaron formation. C1 [De Jesus, Luis R.; Horrocks, Gregory A.; Parija, Abhishek; Banerjee, Sarbajit] Texas A&M Univ, Dept Chem, Ross Spence St, College Stn, TX 77845 USA. [De Jesus, Luis R.; Horrocks, Gregory A.; Parija, Abhishek; Banerjee, Sarbajit] Texas A&M Univ, Dept Mat Sci & Engn, 575 Ross St, College Stn, TX 77843 USA. [Liang, Yufeng; Prendergast, David] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Jaye, Cherno; Fischer, Daniel A.] Natl Inst Stand & Technol, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Wangoh, Linda; Piper, Louis F. J.] Binghamton Univ, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA. [Wang, Jian] Univ Saskatchewan, Canadian Light Source, Saskatoon, SK S7N 2V3, Canada. RP Banerjee, S (reprint author), Texas A&M Univ, Dept Chem, Ross Spence St, College Stn, TX 77845 USA.; Banerjee, S (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, 575 Ross St, College Stn, TX 77843 USA.; Prendergast, D (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM dgprendergast@lbl.gov; banerjee@chem.tamu.edu RI Wang, Jian/M-1805-2013 FU National Science Foundation [DMR 1504702]; Research Corporation for Science Advancement through a Scialog Award; National Science Foundation Graduate Research Fellowship [1252521]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; American Chemical Society Petroleum Research Fund at Binghamton University [PRF 52827-DNI10] FX This study is based on work supported by the National Science Foundation under DMR 1504702. S.B. further acknowledges support from the Research Corporation for Science Advancement through a Scialog Award. L.D.J. acknowledges support from a National Science Foundation Graduate Research Fellowship under grant number 1252521. Certain commercial names are presented in this Letter for purposes of illustration and do not constitute an endorsement by National Institute of Standards and Technology. We acknowledge Dr Chithra Karunakaran at beam-line 10ID1 of the Canadian Light Source for support and assistance with STXM data collection. 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 number DE-AC02-98CH10886. DFT simulations were performed as part of a User Project with Y.L. and D.P. at The Molecular Foundry (TMF), Lawrence Berkeley National Laboratory, and calculations were executed on their Vulcan and Nano compute clusters, administered by the High-Performance Computing Services Group at LBNL. TMF is supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy, under contract number DE-AC02-05CH11231. We thank Dr Joseph Woicik for access and assistance at the X24a end station. Acknowledgement is made to the Donors of the American Chemical Society Petroleum Research Fund (PRF 52827-DNI10) for support of the research at Binghamton University. NR 68 TC 3 Z9 3 U1 49 U2 78 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 12022 DI 10.1038/ncomms12022 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3NV UT WOS:000379109900001 PM 27349567 ER PT J AU Haravifard, S Graf, D Feiguin, AE Batista, CD Lang, JC Silevitch, DM Srajer, G Gaulin, BD Dabkowska, HA Rosenbaum, TF AF Haravifard, S. Graf, D. Feiguin, A. E. Batista, C. D. Lang, J. C. Silevitch, D. M. Srajer, G. Gaulin, B. D. Dabkowska, H. A. Rosenbaum, T. F. TI Crystallization of spin superlattices with pressure and field in the layered magnet SrCu2(BO3)(2) SO NATURE COMMUNICATIONS LA English DT Article ID BOSE-EINSTEIN CONDENSATION; QUANTUM PHASE-TRANSITIONS; SHASTRY-SUTHERLAND MODEL; TUNNEL-DIODE OSCILLATOR; DIMER GROUND-STATE; SYSTEM SRCU2(BO3)(2); LIQUID-HELIUM; DEPENDENCE; ANTIFERROMAGNET; LATTICE AB An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)(2) at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. The magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems. C1 [Haravifard, S.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Haravifard, S.; Silevitch, D. M.; Rosenbaum, T. F.] Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Haravifard, S.; Silevitch, D. M.; Rosenbaum, T. F.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Haravifard, S.; Lang, J. C.; Srajer, G.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Graf, D.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Graf, D.] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA. [Feiguin, A. E.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Batista, C. D.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Batista, C. D.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Batista, C. D.] Oak Ridge Natl Lab, Shull Wollan Ctr, Oak Ridge, TN 37831 USA. [Batista, C. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Silevitch, D. M.; Rosenbaum, T. F.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. [Gaulin, B. D.; Dabkowska, H. A.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. [Gaulin, B. D.; Dabkowska, H. A.] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada. RP Haravifard, S (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA.; Haravifard, S; Rosenbaum, TF (reprint author), Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA.; Haravifard, S; Rosenbaum, TF (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA.; Haravifard, S (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.; Rosenbaum, TF (reprint author), CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. EM haravifard@phy.duke.edu; tfr@caltech.edu RI Batista, Cristian/J-8008-2016 FU NSF [DMR-1206519, DMR-1339564]; U.S. Department of Energy Office of Science User Facility [NEAC02-06CH11357]; National Science Foundation [DMR-1157490]; State of Florida; U.S. Department of Energy; Department of Energy (DOE) [NNSA DE-NA0001979] FX We are grateful to S.W. Tozer for help in acquiring the high-pressure TDO data. The work at the University of Chicago was supported by NSF grant no. DMR-1206519. This research used resources of the Advanced Photon Source, a U.S. Department of Energy Office of Science User Facility operated by Argonne National Laboratory under contract no. NEAC02-06CH11357. The work at the National High Magnetic Field Laboratory was supported by National Science Foundation Cooperative Agreement no. DMR-1157490, the State of Florida, and the U.S. Department of Energy. D.G. acknowledges support from the Department of Energy (DOE) NNSA DE-NA0001979. A.E.F. acknowledges support from NSF under grant DMR-1339564. NR 40 TC 2 Z9 2 U1 12 U2 20 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11956 DI 10.1038/ncomms11956 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3EQ UT WOS:000379086000001 PM 27320787 ER PT J AU Lee, MS Um, W Wang, GH Kruger, AA Lukens, WW Rousseau, R Glezakou, VA AF Lee, Mal-Soon Um, Wooyong Wang, Guohui Kruger, Albert A. Lukens, Wayne W. Rousseau, Roger Glezakou, Vassiliki-Alexandra TI Impeding Tc-99(IV) mobility in novel waste forms SO NATURE COMMUNICATIONS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; NANO ZEROVALENT IRON; SURFACE-STRUCTURE; REDUCTION; PERTECHNETATE; TECHNETIUM; MAGNETITE; FE(II); BEHAVIOR; FE3O4(001) AB Technetium (Tc-99) is an abundant, long-lived radioactive fission product whose mobility in the subsurface is largely governed by its oxidation state. Tc immobilization is crucial for radioactive waste management and environmental remediation. Tc(IV) incorporation in spinels has been proposed as a novel method to increase Tc retention in glass waste forms during vitrification. However, experiments under high-temperature and oxic conditions show reoxidation of Tc(IV) to volatile pertechnetate, Tc(VII). Here we examine this problem with ab initio molecular dynamics simulations and propose that, at elevated temperatures, doping with first row transition metal can significantly enhance Tc retention in magnetite in the order Co>Zn>Ni. Experiments with doped spinels at 700 degrees C provide quantitative confirmation of the theoretical predictions in the same order. This work highlights the power of modern, state-of-the-art simulations to provide essential insights and generate theory-inspired design criteria of complex materials at elevated temperatures. C1 [Lee, Mal-Soon; Rousseau, Roger; Glezakou, Vassiliki-Alexandra] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Um, Wooyong; Wang, Guohui] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Um, Wooyong] Pohang Univ Sci & Technol, Pohang 37673, South Korea. [Kruger, Albert A.] US DOE, Off River Protect, Richland, WA 99352 USA. [Lukens, Wayne W.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Glezakou, VA (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.; Um, W (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.; Um, W (reprint author), Pohang Univ Sci & Technol, Pohang 37673, South Korea. EM Wooyong.Um@pnnl.gov; Vanda.Glezakou@pnnl.gov RI Rousseau, Roger/C-3703-2014; Lee, Mal-Soon/K-4161-2013 OI Lee, Mal-Soon/0000-0001-6851-177X FU US Department of Energy, Office of River Protection, Waste Treatment and Immobilization Plant Federal Project; Office of Basic Energy Science, Division of Chemical Sciences, Geosciences and Biosciences; Department of Energy's Office of Biological and Environmental Research located at PNNL; National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory; US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division, Heavy Element Chemistry Program; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX This work was supported by the US Department of Energy, Office of River Protection, Waste Treatment and Immobilization Plant Federal Project and the Office of Basic Energy Science, Division of Chemical Sciences, Geosciences and Biosciences (R.R. and V.-A.G.). PNNL is a multiprogramme national laboratory operated for DOE by Battelle. Computational resources were provided by PNNL's Platform for Institutional Computing (PIC), the W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at PNNL and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Part of this work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division, Heavy Element Chemistry Program (W.W.L.) and was performed at Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231. Tc K-edge XAFS spectra were obtained at the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, which is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. We thank Dong-Sang Kim and Michael J. Schweiger of PNNL for their constructive feedback and in-depth discussions associated with the development of this plan. The high-temperature experiments conducted by Steven A. Luksic and Chuck Z. Soderquist in PNNL are greatly appreciated. Nathan Johnson (PNNL) created the cover and feature images in collaboration with V.-A.G. NR 43 TC 3 Z9 3 U1 23 U2 27 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 12067 DI 10.1038/ncomms12067 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3OP UT WOS:000379111900001 PM 27357121 ER PT J AU Maier, TA Staar, P Mishra, V Chatterjee, U Campuzano, JC Scalapino, DJ AF Maier, T. A. Staar, P. Mishra, V. Chatterjee, U. Campuzano, J. C. Scalapino, D. J. TI Pairing in a dry Fermi sea SO NATURE COMMUNICATIONS LA English DT Article ID MONTE-CARLO; TEMPERATURE; PSEUDOGAP; SUPERCONDUCTORS AB In the traditional Bardeen-Cooper-Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. Here we report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. In contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin-fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability. C1 [Maier, T. A.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Comp Sci & Math Div, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. [Staar, P.] IBM Res Zurich, CH-8803 Ruschlikon, Switzerland. [Mishra, V.] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN 37996 USA. [Mishra, V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Chatterjee, U.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Campuzano, J. C.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Scalapino, D. J.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. RP Maier, TA (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Comp Sci & Math Div, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. EM maierta@ornl.gov RI Maier, Thomas/F-6759-2012 OI Maier, Thomas/0000-0002-1424-9996 FU Center for Nanophase Materials Sciences, a US DOE Office of Science User Facility; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; National Science Foundation [DMR-1454304]; DOE Office of Science User Facility [DE-AC05-00OR22725] FX We want to thank E. Gull, S. A. Kivelson, A.-M. Tremblay and L. Taillefer for useful comments. D.J.S. and T.A.M. acknowledge the support of the Center for Nanophase Materials Sciences, a US DOE Office of Science User Facility. Part of this research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. U.C. acknowledges support from National Science Foundation under grant number DMR-1454304. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) programme. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. NR 24 TC 0 Z9 0 U1 5 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11875 DI 10.1038/ncomms11875 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3BO UT WOS:000379077900001 PM 27312569 ER PT J AU Mistry, H Varela, AS Bonifacio, CS Zegkinoglou, I Sinev, I Choi, YW Kisslinger, K Stach, EA Yang, JC Strasser, P Cuenya, BR AF Mistry, Hemma Varela, Ana Sofia Bonifacio, Cecile S. Zegkinoglou, Ioannis Sinev, Ilya Choi, Yong-Wook Kisslinger, Kim Stach, Eric A. Yang, Judith C. Strasser, Peter Cuenya, Beatriz Roldan TI Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene SO NATURE COMMUNICATIONS LA English DT Article ID ELECTROCHEMICAL REDUCTION; CO2 REDUCTION; CU NANOPARTICLES; TIN ELECTRODES; ELECTROREDUCTION; ELECTROCATALYSTS; HYDROCARBONS; INSIGHTS; SIZE; SURFACES AB There is an urgent need to develop technologies that use renewable energy to convert waste products such as carbon dioxide into hydrocarbon fuels. Carbon dioxide can be electrochemically reduced to hydrocarbons over copper catalysts, although higher efficiency is required. We have developed oxidized copper catalysts displaying lower overpotentials for carbon dioxide electroreduction and record selectivity towards ethylene (60%) through facile and tunable plasma treatments. Herein we provide insight into the improved performance of these catalysts by combining electrochemical measurements with microscopic and spectroscopic characterization techniques. Operando X-ray absorption spectroscopy and cross-sectional scanning transmission electron microscopy show that copper oxides are surprisingly resistant to reduction and copper(+) species remain on the surface during the reaction. Our results demonstrate that the roughness of oxide-derived copper catalysts plays only a partial role in determining the catalytic performance, while the presence of copper(+) is key for lowering the onset potential and enhancing ethylene selectivity. C1 [Mistry, Hemma] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Mistry, Hemma; Zegkinoglou, Ioannis; Sinev, Ilya; Choi, Yong-Wook; Cuenya, Beatriz Roldan] Ruhr Univ Bochum, Dept Phys, D-44780 Bochum, Germany. [Varela, Ana Sofia; Strasser, Peter] Tech Univ Berlin, Div Chem Engn, Dept Chem, D-10623 Berlin, Germany. [Bonifacio, Cecile S.; Yang, Judith C.] Univ Pittsburgh, Chem & Petr Engn & Phys, Pittsburgh, PA 15261 USA. [Kisslinger, Kim; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Cuenya, BR (reprint author), Ruhr Univ Bochum, Dept Phys, D-44780 Bochum, Germany. EM beatriz.roldan@rub.de RI Strasser, Peter/A-1868-2012; Roldan Cuenya, Beatriz/L-1874-2016; Stach, Eric/D-8545-2011; Zegkinoglou, Ioannis/H-2343-2013; OI Roldan Cuenya, Beatriz/0000-0002-8025-307X; Stach, Eric/0000-0002-3366-2153; Mistry, Hemma/0000-0002-6065-3340 FU German Federal Ministry of Education and Research (Bundesministerium fur Bildung und Forschung, BMBF) [03SF0523 - 'CO2EKAT']; Cluster of Excellence RESOLV at RUB - Deutsche Forschungsgemeinschaft [EXC 1069]; US National Science Foundation [NSF-Chemistry 1213182, NSF-DMR 1207065, NSF CHE 1534630]; Office of Basic Energy Sciences of the US Department of Energy [DE-FG02-08ER15995, DE-FG02-03ER15476]; U.S. DOE [DE-SC0012653]; U.S. DOE Office of Science Facility [DE-SC0012704]; UT Austin; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge Anatoly Frenkel for helpful discussions regarding the XAFS analysis. This work was funded by the German Federal Ministry of Education and Research (Bundesministerium fur Bildung und Forschung, BMBF) under grant #03SF0523 - 'CO2EKAT' and the Cluster of Excellence RESOLV at RUB (EXC 1069) funded by the Deutsche Forschungsgemeinschaft. In addition, financial support from the US National Science Foundation (NSF-Chemistry 1213182 an NSF-DMR 1207065) and the Office of Basic Energy Sciences of the US Department of Energy (DE-FG02-08ER15995) is greatly appreciated. Work at beamline BL2-2 at SSRL was supported in part by the U.S. DOE Grant No. DE-SC0012653 to the Synchrotron Catalysis Consortium. E.A.S. acknowledges support to the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. C.S.B. and J.C.Y. acknowledges support by the Office of Basic Energy Sciences of the US Department of Energy (DE-FG02-03ER15476) and the US National Science Foundation (NSF CHE 1534630) in collaboration with UT Austin. Transmission electron microscopy work was performed at the National Center for Electron Microscopy at the Molecular Foundry at Lawrence Berkeley National Laboratory which is supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 48 TC 11 Z9 11 U1 101 U2 187 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 12123 DI 10.1038/ncomms12123 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3PU UT WOS:000379115000001 PM 27356485 ER PT J AU Sessi, P Biswas, RR Bathon, T Storz, O Wilfert, S Barla, A Kokh, KA Tereshchenko, OE Fauth, K Bode, M Balatsky, AV AF Sessi, Paolo Biswas, Rudro R. Bathon, Thomas Storz, Oliver Wilfert, Stefan Barla, Alessandro Kokh, Konstantin A. Tereshchenko, Oleg E. Fauth, Kai Bode, Matthias Balatsky, Alexander V. TI Dual nature of magnetic dopants and competing trends in topological insulators SO NATURE COMMUNICATIONS LA English DT Article ID DIRAC FERMION; SURFACE AB Topological insulators interacting with magnetic impurities have been reported to host several unconventional effects. These phenomena are described within the framework of gapping Dirac quasiparticles due to broken time-reversal symmetry. However, the overwhelming majority of studies demonstrate the presence of a finite density of states near the Dirac point even once topological insulators become magnetic. Here, we map the response of topological states to magnetic impurities at the atomic scale. We demonstrate that magnetic order and gapless states can coexist. We show how this is the result of the delicate balance between two opposite trends, that is, gap opening and emergence of a Dirac node impurity band, both induced by the magnetic dopants. Our results evidence a more intricate and rich scenario with respect to the once generally assumed, showing how different electronic and magnetic states may be generated and controlled in this fascinating class of materials. C1 [Sessi, Paolo; Bathon, Thomas; Storz, Oliver; Wilfert, Stefan; Fauth, Kai; Bode, Matthias] Univ Wurzburg, Inst Phys, Expt Phys 2, Hubland, D-97074 Wurzburg, Germany. [Biswas, Rudro R.] Purdue Univ, Dept Phys & Astron, 525 Northwestern Ave, W Lafayette, IN 47907 USA. [Barla, Alessandro] CNR, Ist Struttura Mat, I-34149 Trieste, Italy. [Kokh, Konstantin A.] Russian Acad Sci, VS Sobolev Inst Geol & Mineral, Siberian Branch, Novosibirsk 630090, Russia. [Kokh, Konstantin A.; Tereshchenko, Oleg E.] Novosibirsk State Univ, Dept Phys, Novosibirsk 630090, Russia. [Kokh, Konstantin A.; Tereshchenko, Oleg E.] St Petersburg State Univ, Dept Phys, St Petersburg 198504, Russia. [Tereshchenko, Oleg E.] Russian Acad Sci, AV Rzanov Inst Semicond Phys, Siberian Branch, Novosibirsk 630090, Russia. [Fauth, Kai; Bode, Matthias] Univ Wurzburg, Wilhelm Conrad Rontgen Ctr Complex Mat Syst, Hubland, D-97074 Wurzburg, Germany. [Balatsky, Alexander V.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA. [Balatsky, Alexander V.] Stockholm Univ, KTH Royal Inst Technol, Dept Theoret Phys, Nordita Ctr Quantum Mat, Roslagstullsbacken 23, S-10691 Stockholm, Sweden. RP Sessi, P (reprint author), Univ Wurzburg, Inst Phys, Expt Phys 2, Hubland, D-97074 Wurzburg, Germany. EM sessi@physik.uni-wuerzburg.de RI Kokh, Konstantin/O-2402-2013; Barla, Alessandro/C-4282-2015; Sessi, Paolo/L-6186-2015; Bode, Matthias/S-3249-2016 OI Barla, Alessandro/0000-0002-5632-4915; Sessi, Paolo/0000-0003-1261-0386; Bode, Matthias/0000-0001-7514-5560 FU US DOE [E304]; DFG [SFB 1170]; Purdue University; HZB; VR; KAW FX Work was supported by the US DOE E304, VR and KAW (A.V.B.) and by DFG through SFB 1170 'ToCoTronics', project A02 (P.S., T.B., O.S., S.W., M.B.). R.R.B. thanks Purdue University Startup funds for support. Allocation of synchrotron radiation beamtime as well as financial support by HZB is gratefully acknowledged. We are grateful to A. Black-Schaffer, J. Fransson and T. Wehling for useful discussions. NR 29 TC 5 Z9 5 U1 15 U2 31 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 12027 DI 10.1038/ncomms12027 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3NW UT WOS:000379110000001 PM 27345240 ER PT J AU Wang, DL Liu, SF Wang, J Lin, RQ Kawasaki, M Rus, E Silberstein, KE Lowe, MA Lin, F Nordlund, D Liu, HF Muller, DA Xin, HLL Abrun, HD AF Wang, Deli Liu, Sufen Wang, Jie Lin, Ruoqian Kawasaki, Masahiro Rus, Eric Silberstein, Katharine E. Lowe, Michael A. Lin, Feng Nordlund, Dennis Liu, Hongfang Muller, David A. Xin, Huolin L. Abrun, Hector D. TI Spontaneous incorporation of gold in palladium-based ternary nanoparticles makes durable electrocatalysts for oxygen reduction reaction SO NATURE COMMUNICATIONS LA English DT Article ID CORE-SHELL NANOPARTICLES; ELECTRONIC BEHAVIOR; CHARGE REDISTRIBUTION; FACILE SYNTHESIS; FUEL-CELLS; CU ALLOYS; PD; AU; MONOLAYER; CATALYSTS AB Replacing platinum by a less precious metal such as palladium, is highly desirable for lowering the cost of fuel-cell electrocatalysts. However, the instability of palladium in the harsh environment of fuel-cell cathodes renders its commercial future bleak. Here we show that by incorporating trace amounts of gold in palladium-based ternary (Pd6CoCu) nanocatalysts, the durability of the catalysts improves markedly. Using aberration-corrected analytical transmission electron microscopy in conjunction with synchrotron X-ray absorption spectroscopy, we show that gold not only galvanically replaces cobalt and copper on the surface, but also penetrates through the Pd-Co-Cu lattice and distributes uniformly within the particles. The uniform incorporation of Au provides a stability boost to the entire host particle, from the surface to the interior. The spontaneous replacement method we have developed is scalable and commercially viable. This work may provide new insight for the large-scale production of non-platinum electrocatalysts for fuel-cell applications. C1 [Wang, Deli; Liu, Sufen; Wang, Jie; Liu, Hongfang] Huazhong Univ Sci & Technol, Sch Chem & Chem Engn, Hubei Key Lab Mat Chem & Serv Failure, Key Lab Mat Chem Energy Convers & Storage,Minist, Wuhan 430074, Peoples R China. [Lin, Ruoqian; Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Kawasaki, Masahiro] JEOL USA Inc, Peabody, MA 01960 USA. [Rus, Eric; Silberstein, Katharine E.; Lowe, Michael A.; Abrun, Hector D.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Lin, Feng] Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. [Nordlund, Dennis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Muller, David A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Muller, David A.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. RP Wang, DL (reprint author), Huazhong Univ Sci & Technol, Sch Chem & Chem Engn, Hubei Key Lab Mat Chem & Serv Failure, Key Lab Mat Chem Energy Convers & Storage,Minist, Wuhan 430074, Peoples R China.; Xin, HLL (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.; Abrun, HD (reprint author), Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. EM wangdl81125@hust.edu.cn; hxin@bnl.gov; hda1@cornell.edu RI Xin, Huolin/E-2747-2010; Wang, Jie/H-3638-2015; Wang, Deli/K-5029-2012; OI Xin, Huolin/0000-0002-6521-868X; Wang, Jie/0000-0002-7188-3053; Kawasaki, Masahiro/0000-0002-9246-8764 FU National Science Foundation of China [21306060, 21573083]; Program for New Century Excellent Talents in Universities of China [NCET-13-0237]; Ministry of Education of China [20130142120039]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704]; Energy Materials Center at Cornell (emc2), an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001086]; National Science Foundation Materials Research Science and Engineering Centers (MRSEC) program [DMR 1120296]; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF [DMR-0936384]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX This work was supported by the National Science Foundation of China (21306060, 21573083), the Program for New Century Excellent Talents in Universities of China (NCET-13-0237) and the Doctoral Fund of Ministry of Education of China (20130142120039). This research used resources of 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. Experimental data recording for Fig. 2 was supported by the Energy Materials Center at Cornell (emc2), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences, under Award No. DE-SC0001086. This work also made use of the facility of the Cornell Center for Materials Research (CCMR) with support from the National Science Foundation Materials Research Science and Engineering Centers (MRSEC) program (Contract No. DMR 1120296). This work also made use of the Cornell High Energy Synchrotron Source (CHESS) which is supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF award DMR-0936384. Some preliminary study was performed at Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The authors are grateful to Dr Jianguo Liu from Nanjing University for helping doing the fuel-cell performance and useful discussion and analysis of the data. D. Wang would like to thank Analytical and Testing Center of Huazhong University of Science & Technology for allowing us to use its facilities. NR 40 TC 1 Z9 1 U1 66 U2 99 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11941 DI 10.1038/ncomms11941 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3EB UT WOS:000379084500001 PM 27336795 ER PT J AU Zhang, YJ Hellebusch, DJ Bronstein, ND Ko, C Ogletree, DF Salmeron, M Alivisatos, AP AF Zhang, Yingjie Hellebusch, Daniel J. Bronstein, Noah D. Ko, Changhyun Ogletree, D. Frank Salmeron, Miquel Alivisatos, A. Paul TI Ultrasensitive photodetectors exploiting electrostatic trapping and percolation transport SO NATURE COMMUNICATIONS LA English DT Article ID QUANTUM-DOT PHOTODETECTORS; SOLAR-CELLS; GRAIN-BOUNDARIES; POLYCRYSTALLINE CDTE; PHOTON DETECTION; LIGAND-EXCHANGE; SOLUTION-CAST; NOISE; FLUCTUATIONS; TRANSISTORS AB The sensitivity of semiconductor photodetectors is limited by photocarrier recombination during the carrier transport process. We developed a new photoactive material that reduces recombination by physically separating hole and electron charge carriers. This material has a specific detectivity (the ability to detect small signals) of 5 x 10(17) Jones, the highest reported in visible and infrared detectors at room temperature, and 4-5 orders of magnitude higher than that of commercial single-crystal silicon detectors. The material was fabricated by sintering chloride-capped CdTe nanocrystals into polycrystalline films, where Cl selectively segregates into grain boundaries acting as n-type dopants. Photogenerated electrons concentrate in and percolate along the grain boundaries-a network of energy valleys, while holes are confined in the grain interiors. This electrostatic field-assisted carrier separation and percolation mechanism enables an unprecedented photoconductive gain of 10(10) e(-) per photon, and allows for effective control of the device response speed by active carrier quenching. C1 [Zhang, Yingjie] Univ Calif Berkeley, Appl Sci & Technol Grad Program, Berkeley, CA 94720 USA. [Zhang, Yingjie; Hellebusch, Daniel J.; Bronstein, Noah D.; Salmeron, Miquel; Alivisatos, A. Paul] Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Hellebusch, Daniel J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Hellebusch, Daniel J.; Bronstein, Noah D.; Alivisatos, A. Paul] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Bronstein, Noah D.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ko, Changhyun; Salmeron, Miquel; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ogletree, D. Frank] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Salmeron, M; Alivisatos, AP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Salmeron, M; Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov; alivis@berkeley.edu RI Alivisatos , Paul /N-8863-2015 OI 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 US Department of Energy (DOE) [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy [DE-AC02-05CH11232]; Office of Science of the US Department of Energy FX We thank Peter Denes and Jianbo Gao for discussion on photodetectors. Device fabrication and measurement 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 US Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 (Y.Z., N.D.B. and M.S.). Nanocrystal synthesis and thin film preparation was supported by the 'Physical Chemistry of Inorganic Nanostructures' program by the Director, Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under Contract DE-AC02-05CH11232 (D.J.H and A.P.A). It used resources of the Molecular Foundry, supported by the Office of Science of the US Department of Energy. NR 36 TC 3 Z9 3 U1 19 U2 42 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11924 DI 10.1038/ncomms11924 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DQ3DK UT WOS:000379082800001 PM 27323904 ER PT J AU Carlsson, JA Wilson, JR Hosea, JC Greenough, NL Perkins, RJ AF Carlsson, J. A. Wilson, J. R. Hosea, J. C. Greenough, N. L. Perkins, R. J. TI Phase coherence of parametric-decay modes during high-harmonic fast-wave heating in the National Spherical Torus Experiment SO PHYSICS OF PLASMAS LA English DT Article ID EDGE PLASMA; FREQUENCY; TOKAMAK; BICOHERENCE; FLOWS AB Third-order spectral analysis, in particular, the auto bicoherence, was applied to probe signals from high-harmonic fast-wave heating experiments in the National Spherical Torus Experiment. Strong evidence was found for parametric decay of the 30MHz radio-frequency (RF) pump wave, with a low-frequency daughter wave at 2.7 MHz, the local majority-ion cyclotron frequency. The primary decay modes have auto bicoherence values around 0.85, very close to the theoretical value of one, which corresponds to total phase coherence with the pump wave. The threshold RF pump power for onset of parametric decay was found to be between 200kW and 400 kW. Published by AIP Publishing. C1 [Carlsson, J. A.] Crow Radio & Plasma Sci, Princeton, NJ 08540 USA. [Carlsson, J. A.; Wilson, J. R.; Hosea, J. C.; Greenough, N. L.; Perkins, R. J.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Carlsson, JA (reprint author), Crow Radio & Plasma Sci, Princeton, NJ 08540 USA.; Carlsson, JA (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM carlsson@pppl.gov OI wilson, james/0000-0003-3627-1278; Perkins, Rory/0000-0002-7216-0201; Carlsson, Johan/0000-0003-4614-8150 FU US DOE [DE-AC02-09CH11466, S014474-U] FX This work is supported by US DOE Contract DE-AC02-09CH11466, directly and through PPPL Subcontract No. S014474-U. The digital data for this paper can be found in http://arks.princeton.edu/ark:/88435/dsp018p58pg29j. NR 21 TC 0 Z9 0 U1 3 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 JUN PY 2016 VL 23 IS 6 AR 062519 DI 10.1063/1.4954825 PG 6 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200070 ER PT J AU Coury, M Guttenfelder, W Mikkelsen, DR Canik, JM Canal, GP Diallo, A Kaye, S Kramer, GJ Maingi, R AF Coury, M. Guttenfelder, W. Mikkelsen, D. R. Canik, J. M. Canal, G. P. Diallo, A. Kaye, S. Kramer, G. J. Maingi, R. CA NSTX-U Team TI Linear gyrokinetic simulations of microinstabilities within the pedestal region of H-mode NSTX discharges in a highly shaped geometry SO PHYSICS OF PLASMAS LA English DT Article ID BALLOONING MODES; TURBULENCE; INSTABILITY; TOKAMAKS AB Linear (local) gyrokinetic predictions of edge microinstabilities in highly shaped, lithiated and non-lithiated NSTX discharges are reported using the gyrokinetic code GS2. Microtearing modes dominate the non-lithiated pedestal top. The stabilization of these modes at the lithiated pedestal top enables the electron temperature pedestal to extend further inwards, as observed experimentally. Kinetic ballooning modes are found to be unstable mainly at the mid-pedestal of both types of discharges, with unstable trapped electron modes nearer the separatrix region. At electron wavelengths, electron temperature gradient (ETG) modes are found to be unstable from mid-pedestal outwards for eta(e,exp) similar to 2.2, with higher growth rates for the lithiated discharge. Near the separatrix, the critical temperature gradient for driving ETG modes is reduced in the presence of lithium, reflecting the reduction of the lithiated density gradients observed experimentally. A preliminary linear study in the edge of non-lithiated discharges shows that the equilibrium shaping alters the electrostatic modes stability, which was found more unstable at high plasma shaping. Published by AIP Publishing. C1 [Coury, M.; Guttenfelder, W.; Mikkelsen, D. R.; Diallo, A.; Kaye, S.; Kramer, G. J.; Maingi, R.; NSTX-U Team] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Canik, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Canal, G. P.] Gen Atom Co, San Diego, CA 92186 USA. RP Coury, M (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM mcoury@pppl.gov FU U.S. Department of Energy [DE-AC02-09CH11466] FX We thank Eliot Feibush and Irena Johnson (systems and networking division) for assistance with PPPL clusters. This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-09CH11466. The digital data for this paper can be found at http://arks.princeton.edu/ark:/88435/dsp01n870zt23w. NR 38 TC 0 Z9 0 U1 7 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 JUN PY 2016 VL 23 IS 6 AR 062520 DI 10.1063/1.4954911 PG 9 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200071 ER PT J AU Frerichs, H Schmitz, O Waters, I Canal, GP Evans, TE Feng, Y Soukhanovskii, VA AF Frerichs, H. Schmitz, O. Waters, I. Canal, G. P. Evans, T. E. Feng, Y. Soukhanovskii, V. A. TI Exploration of magnetic perturbation effects on advanced divertor configurations in NSTX-U SO PHYSICS OF PLASMAS LA English DT Article ID TRANSPORT; STABILITY; TOKAMAKS; PLASMAS; LIMITER AB The control of divertor heat loads-both steady state and transient-remains a key challenge for the successful operation of ITER and FNSF. Magnetic perturbations provide a promising technique to control ELMs (Edge Localized Modes) (transients), but understanding their detailed impact is difficult due to their symmetry breaking nature. One approach for reducing steady state heat loads is so called "advanced divertors" which aim at optimizing the magnetic field configuration: the snowflake and the (super-) X-divertor. It is likely that both concepts-magnetic perturbations and advanced divertors-will have to work together, and we explore their interaction based on the NSTX-U setup. An overview of different divertor configurations under the impact of magnetic perturbations is presented, and the resulting impact on plasma edge transport is investigated with the EMC3-EIRENE code. Variations in size of the magnetic footprint of the perturbed separatrix are found, which are related to the level of flux expansion on the divertor target. Non-axisymmetric peaking of the heat flux related to the perturbed separatrix is found at the outer strike point, but only in locations where flux expansion is not too large. Published by AIP Publishing. C1 [Frerichs, H.; Schmitz, O.; Waters, I.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Canal, G. P.; Evans, T. E.] Gen Atom Co, San Diego, CA 92186 USA. [Feng, Y.] Max Planck Inst Plasma Phys, Greifswald, Germany. [Soukhanovskii, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Frerichs, H (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. FU U.S. Department of Energy [DE-SC0012315, DE-FC02-04ER54698]; Start-Up Funds of the University of Wisconsin-Madison FX This work was supported in part by the U.S. Department of Energy under DE-SC0012315 and DE-FC02-04ER54698, and by Start-Up Funds of the University of Wisconsin-Madison. The digital data for this paper can be found in http://arks.princeton.edu/ark:/88435/dsp018p58pg29j. NR 38 TC 0 Z9 0 U1 8 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 JUN PY 2016 VL 23 IS 6 AR 062517 DI 10.1063/1.4954816 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200068 ER PT J AU Hopkins, MM Yee, BT Baalrud, SD Barnat, EV AF Hopkins, Matthew M. Yee, Benjamin T. Baalrud, Scott D. Barnat, Edward V. TI The onset of plasma potential locking SO PHYSICS OF PLASMAS LA English DT Article AB In this paper, we provide insight into the role and impact that a positively biased electrode (anode) has on bulk plasma potential. Using two-dimensional Particle-in-Cell simulations, we investigate the plasma potential as an anode transitions from very small ("probe" mode) to large ("locking" mode). Prior theory provides some guidance on when and how this transition takes place. Initial experimental results are also compared. The simulations demonstrate that as the surface area of the anode is increased transitions in plasma potential and sheath polarity occur, consistent with experimental observations and theoretical predictions. It is expected that understanding this basic plasma behavior will be of interest to basic plasma physics communities, diagnostic developers, and plasma processing devices where control of bulk plasma potential is important. Published by AIP Publishing. C1 [Hopkins, Matthew M.; Yee, Benjamin T.; Barnat, Edward V.] Sandia Natl Labs, Albuquerque, NM 87008 USA. [Baalrud, Scott D.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. RP Hopkins, MM (reprint author), Sandia Natl Labs, Albuquerque, NM 87008 USA. EM mmhopki@sandia.gov FU Office of Fusion Energy Science at the U.S. Department of Energy [DE-AC04-94SL85000] FX This work was supported by the Office of Fusion Energy Science at the U.S. Department of Energy under Contract No. DE-AC04-94SL85000. NR 13 TC 3 Z9 3 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2016 VL 23 IS 6 AR 063519 DI 10.1063/1.4953896 PG 7 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200123 ER PT J AU Ren, QL Garofalo, AM Gong, XZ Holcomb, CT Lao, LL McKee, GR Meneghini, O Staebler, GM Grierson, BA Qian, JP Solomon, WM Turnbull, AD Holland, C Guo, WF Ding, SY Pan, CK Xu, GS Wan, BN AF Ren, Q. L. Garofalo, A. M. Gong, X. Z. Holcomb, C. T. Lao, L. L. McKee, G. R. Meneghini, O. Staebler, G. M. Grierson, B. A. Qian, J. P. Solomon, W. M. Turnbull, A. D. Holland, C. Guo, W. F. Ding, S. Y. Pan, C. K. Xu, G. S. Wan, B. N. TI Progress toward steady-state tokamak operation exploiting the high bootstrap current fraction regime SO PHYSICS OF PLASMAS LA English DT Article ID INTERNAL TRANSPORT BARRIER; SHEAR REVERSAL; MAGNETIC SHEAR; CURRENT DRIVE; STATIONARY; PLASMAS; REACTOR; CONFINEMENT; PHYSICS; JT-60U AB Recent DIII-D experiments have increased the normalized fusion performance of the high bootstrap current fraction tokamak regime toward reactor-relevant steady state operation. The experiments, conducted by a joint team of researchers from the DIII-D and EAST tokamaks, developed a fully noninductive scenario that could be extended on EAST to a demonstration of long pulse steady-state tokamak operation. Improved understanding of scenario stability has led to the achievement of very high values of beta(P) and beta(N), despite strong internal transport barriers. Good confinement has been achieved with reduced toroidal rotation. These high beta(p) plasmas challenge the energy transport understanding, especially in the electron energy channel. A new turbulent transport model, named TGLF-SAT1, has been developed which improves the transport prediction. Experiments extending results to long pulse on EAST, based on the physics basis developed at DIII-D, have been conducted. More investigations will be carried out on EAST with more additional auxiliary power to come online in the near term. Published by AIP Publishing. C1 [Ren, Q. L.; Gong, X. Z.; Qian, J. P.; Guo, W. F.; Ding, S. Y.; Pan, C. K.; Xu, G. S.; Wan, B. N.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. [Garofalo, A. M.; Lao, L. L.; Meneghini, O.; Staebler, G. M.; Turnbull, A. D.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [McKee, G. R.] Univ Wisconsin, Dept Engn Phys, 1500 Engn Dr, Madison, WI 53706 USA. [Grierson, B. A.; Solomon, W. M.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Holland, C.] Univ Calif San Diego, Energy Res Ctr, 9500 Gilman Dr, La Jolla, CA 92093 USA. RP Ren, QL (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. OI Solomon, Wayne/0000-0002-0902-9876 FU National Magnetic Confinement Fusion Program of China [2015GB110001, 2015GB102000]; U.S. Department of Energy [DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54999, DE-AC02-09CH11466, DE-FG02-07ER54917, DE-FG02-06ER54871] FX This paper was supported in part by the National Magnetic Confinement Fusion Program of China (Nos. 2015GB110001 and 2015GB102000) and the U.S. Department of Energy under DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54999, DE-AC02-09CH11466, DE-FG02-07ER54917, and DE-FG02-06ER54871. DIII-D data shown in this paper can be obtained in digital format by following the links in Ref. 36. NR 33 TC 1 Z9 1 U1 6 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2016 VL 23 IS 6 AR 062511 DI 10.1063/1.4948724 PG 7 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200062 ER PT J AU Russell, DA Myra, JR D'Ippolito, DA LaBombard, B Hughes, JW Terry, JL Zweben, SJ AF Russell, D. A. Myra, J. R. D'Ippolito, D. A. LaBombard, B. Hughes, J. W. Terry, J. L. Zweben, S. J. TI Mean flows and blob velocities in scrape-off layer (SOLT) simulations of an L-mode discharge on Alcator C-Mod SO PHYSICS OF PLASMAS LA English DT Article ID EDGE PLASMA; TURBULENCE; TRANSPORT; NSTX AB Two-dimensional scrape-off layer turbulence (SOLT) code simulations are compared with an L-mode discharge on the Alcator C-Mod tokamak [Greenwald et al., Phys. Plasmas 21, 110501 (2014)]. Density and temperature profiles for the simulations were obtained by smoothly fitting Thomson scattering and mirror Langmuir probe (MLP) data from the shot. Simulations differing in turbulence intensity were obtained by varying a dissipation parameter. Mean flow profiles and density fluctuation amplitudes are consistent with those measured by MLP in the experiment and with a Fourier space diagnostic designed to measure poloidal phase velocity. Blob velocities in the simulations were determined from the correlation function for density fluctuations, as in the analysis of gas-puff-imaging (GPI) blobs in the experiment. In the simulations, it was found that larger blobs moved poloidally with the E x B flow velocity, v(E), in the near-SOL, while smaller fluctuations moved with the group velocity of the dominant linear (interchange) mode, v(E) + 1/2 v(di), where v(di) is the ion diamagnetic drift velocity. Comparisons are made with the measured GPI correlation velocity for the discharge. The saturation mechanisms operative in the simulation of the discharge are also discussed. It is found that neither sheared flow nor pressure gradient modification can be excluded as saturation mechanisms. Published by AIP Publishing. C1 [Russell, D. A.; Myra, J. R.; D'Ippolito, D. A.] Lodestar Res Corp, 2400 Cent Ave,P-5, Boulder, CO 80301 USA. [LaBombard, B.; Hughes, J. W.; Terry, J. L.] MIT, Plasma Sci & Fus Ctr, 167 Albany St, Cambridge, MA 02138 USA. [Zweben, S. J.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08540 USA. RP Russell, DA (reprint author), Lodestar Res Corp, 2400 Cent Ave,P-5, Boulder, CO 80301 USA. EM dave@lodestar.com OI Myra, James/0000-0001-5939-8429; Terry, James/0000-0003-4255-5509; Hughes, Jerry/0000-0003-4802-4944 FU U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences under Princeton Plasma Physics Laboratory [S013429-U, DE-FG02-97ER54392, 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 Princeton Plasma Physics Laboratory Subcontract No. S013429-U, Grant No. DE-FG02-97ER54392, Agreement No. DE-FC02-99ER54512, and Contract No. DE-AC02-09CH11466. NR 50 TC 0 Z9 0 U1 4 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 JUN PY 2016 VL 23 IS 6 AR 062305 DI 10.1063/1.4953419 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200036 ER PT J AU Shaw, BH Steinke, S van Tilborg, J Leemans, WP AF Shaw, B. H. Steinke, S. van Tilborg, J. Leemans, W. P. TI Reflectance characterization of tape-based plasma mirrors SO PHYSICS OF PLASMAS LA English DT Article ID TEMPORAL CONTRAST; LASER-PULSES; SUPPRESSION; AMPLIFICATION; REFLECTIVITY; GENERATION; EMISSION AB Specular reflections of relativistic laser pulses from an overdense plasma mirror (PM) were studied experimentally. The pointing stability of the PM and reflectance of the input laser were characterized. The solid material used for the PM was a VHS tape. This study was done for the magnetic and plastic sides of the VHS tape, and for input light of both s and p-polarizations. The laser pulse fluence was varied by changing the focus position relative to the tape surface, which changed the spot size at the tape. The pointing fluctuations of the reflected pulses caused by the PM were similar or equal to 1 mrad. A peak reflectance of 82% was obtained from the plastic surface of the VHS tape when focusing s-polarized light 4mm from the tape surface (the wavefront quality was confirmed to be conserved). An analytic model was developed to understand the physics of the interaction for each tape material and polarization. Fitting of our model parameters to the experimental results allowed an estimate of the key plasma parameters such as plasma expansion velocity, ionization intensity, and fraction of absorbed laser energy. Published by AIP Publishing. C1 [Shaw, B. H.; Steinke, S.; van Tilborg, J.; Leemans, W. P.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Shaw, B. H.] Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. RP Leemans, WP (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM WPLeemans@lbl.gov RI Steinke, Sven/D-8086-2011 OI Steinke, Sven/0000-0003-0507-698X FU U.S. Department of Energy Office of Science Office of High Energy Physics [DE-AC02-05CH11231]; U.S. Department of Energy National Nuclear Security Administration, Defense Nuclear Nonproliferation RD [NA22]; National Science Foundation (NSF) [0917687, 0935197] FX This work was supported by the U.S. Department of Energy Office of Science Office of High Energy Physics, under Contract No. DE-AC02-05CH11231, by the U.S. Department of Energy National Nuclear Security Administration, Defense Nuclear Nonproliferation R&D (NA22), and by the National Science Foundation (NSF) under Contract Nos. 0917687 and 0935197. NR 29 TC 1 Z9 1 U1 7 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 JUN PY 2016 VL 23 IS 6 AR 063118 DI 10.1063/1.4954242 PG 9 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200097 ER PT J AU Shiraki, D Commaux, N Baylor, LR Eidietis, NW Hollmann, EM Lasnier, CJ Moyer, RA AF Shiraki, D. Commaux, N. Baylor, L. R. Eidietis, N. W. Hollmann, E. M. Lasnier, C. J. Moyer, R. A. TI Thermal quench mitigation and current quench control by injection of mixed species shattered pellets in DIII-D SO PHYSICS OF PLASMAS LA English DT Article ID FAST PLASMA SHUTDOWN; DISRUPTION MITIGATION; JT-60U TOKAMAK; HALO CURRENTS; IMPURITY; JET; ASDEX; ITER AB Injection of large shattered pellets composed of variable quantities of the main ion species (deuterium) and high-Z impurities (neon) in the DIII-D tokamak demonstrates control of thermal quench (TQ) and current quench (CQ) properties in mitigated disruptions. As the pellet composition is varied, TQ radiation fractions increase continuously with the quantity of radiating impurity in the pellet, with a corresponding decrease in divertor heating. Post-TQ plasma resistivities increase as a result of the higher radiation fraction, allowing control of current decay timescales based on the pellet composition. Magnetic reconstructions during the CQ show that control of the current decay rate allows continuous variation of the minimum safety factor during the vertically unstable disruption, reducing the halo current fraction and resulting vessel displacement. Both TQ and CQ characteristics are observed to saturate at relatively low quantities of neon, indicating that effective mitigation of disruption loads by shattered pellet injection (SPI) can be achieved with modest impurity quantities, within injection quantities anticipated for ITER. This mixed species SPI technique provides a possible approach for tuning disruption properties to remain within the limited ranges allowed in the ITER design. Published by AIP Publishing. C1 [Shiraki, D.; Commaux, N.; Baylor, L. R.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. [Eidietis, N. W.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Hollmann, E. M.; Moyer, R. A.] Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA. [Lasnier, C. J.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. RP Shiraki, D (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. OI Moyer, Richard/0000-0002-3858-8159 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698, DE-AC05-00OR22725, DE-FG02-07ER54917, DE-AC52-07NA27344] FX The authors thank D. Humphreys for many helpful discussions on halo current modeling. This material is based upon the work supported by 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-AC05-00OR22725, DE-FG02-07ER54917, and DE-AC52-07NA27344. 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 31 TC 0 Z9 0 U1 3 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2016 VL 23 IS 6 AR 062516 DI 10.1063/1.4954389 PG 7 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200067 ER PT J AU Staebler, GM Candy, J Howard, NT Holland, C AF Staebler, G. M. Candy, J. Howard, N. T. Holland, C. TI The role of zonal flows in the saturation of multi-scale gyrokinetic turbulence SO PHYSICS OF PLASMAS LA English DT Article ID FLUID MODEL TURBULENCE AB The 2D spectrum of the saturated electric potential from gyrokinetic turbulence simulations that include both ion and electron scales (multi-scale) in axisymmetric tokamak geometry is analyzed. The paradigm that the turbulence is saturated when the zonal (axisymmetic) ExB flow shearing rate competes with linear growth is shown to not apply to the electron scale turbulence. Instead, it is the mixing rate by the zonal ExB velocity spectrum with the turbulent distribution function that competes with linear growth. A model of this mechanism is shown to be able to capture the suppression of electron-scale turbulence by ion-scale turbulence and the threshold for the increase in electron scale turbulence when the ion-scale turbulence is reduced. The model computes the strength of the zonal flow velocity and the saturated potential spectrum from the linear growth rate spectrum. The model for the saturated electric potential spectrum is applied to a quasilinear transport model and shown to accurately reproduce the electron and ion energy fluxes of the non-linear gyrokinetic multi-scale simulations. The zonal flow mixing saturation model is also shown to reproduce the non-linear upshift in the critical temperature gradient caused by zonal flows in ionscale gyrokinetic simulations. Published by AIP Publishing. C1 [Staebler, G. M.; Candy, J.] Gen Atom Co, San Diego, CA 92186 USA. [Howard, N. T.] ORISE, Oak Ridge, TN 37831 USA. [Holland, C.] Univ Calif San Diego, San Diego, CA 92093 USA. RP Staebler, GM (reprint author), Gen Atom Co, San Diego, CA 92186 USA. FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, Theory Program [DE-FG02-95ER54309, DE-FC02-08ER54963]; DOE [DE-FC02-99ER54512-CMOD]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, Theory Program, under Award Nos. DE-FG02-95ER54309, and DE-FC02-08ER54963. This work was supported by DOE Contract No. DE-FC02-99ER54512-CMOD and in part by an appointment to the U.S. DOE Fusion Energy Postdoctoral Research Program administered by ORISE. Simulations were carried out at the National Energy Research Scientific Computing Center, supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and as part of research for the Center for Simulation of Plasma Microturbulence (CSPM). NR 24 TC 1 Z9 1 U1 4 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2016 VL 23 IS 6 AR 062518 DI 10.1063/1.4954905 PG 9 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200069 ER PT J AU Wang, YL Qin, H Liu, J AF Wang, Yulei Qin, Hong Liu, Jian TI Multi-scale full-orbit analysis on phase-space behavior of runaway electrons in tokamak fields with synchrotron radiation SO PHYSICS OF PLASMAS LA English DT Article ID CHARGED-PARTICLE DYNAMICS; CURRENT TERMINATION; GENERATION; PLASMAS; DISRUPTIONS; JET; AVALANCHE; JT-60U; TEXTOR AB In this paper, the secular full-orbit simulations of runaway electrons with synchrotron radiation in tokamak fields are carried out using a relativistic volume-preserving algorithm. Detailed phase-space behaviors of runaway electrons are investigated in different dynamical timescales spanning 11 orders. In the small timescale, i.e., the characteristic timescale imposed by Lorentz force, the severely deformed helical trajectory of energetic runaway electron is witnessed. A qualitative analysis of the neoclassical scattering, a kind of collisionless pitch-angle scattering phenomena, is provided when considering the coupling between the rotation of momentum vector and the background magnetic field. In large timescale up to 1 s, it is found that the initial condition of runaway electrons in phase space globally influences the pitch-angle scattering, the momentum evolution, and the loss-gain ratio of runaway energy evidently. However, the initial value has little impact on the synchrotron energy limit. It is also discovered that the parameters of tokamak device, such as the toroidal magnetic field, the loop voltage, the safety factor profile, and the major radius, can modify the synchrotron energy limit and the strength of neoclassical scattering. The maximum runaway energy is also proved to be lower than the synchrotron limit when the magnetic field ripple is considered. Published by AIP Publishing. C1 [Wang, Yulei; Qin, Hong; Liu, Jian] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. [Wang, Yulei; Qin, Hong; Liu, Jian] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Wang, Yulei; Liu, Jian] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Liu, J (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.; Liu, J (reprint author), Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.; Liu, J (reprint author), Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. EM jliuphy@ustc.edu.cn OI Liu, Jian/0000-0001-7484-401X; Wang, Yulei/0000-0001-9863-5917 FU National Magnetic Confinement Fusion Energy Research Project [2015GB111003, 2014GB124005]; National Natural Science Foundation of China [NSFC-11575185, 11575186, 11305171]; JSPS-NRF-NSFC A3 Foresight Program [NSFC-11261140328]; GeoAlgorithmic Plasma Simulator (GAPS) Project FX This research was supported by the National Magnetic Confinement Fusion Energy Research Project (2015GB111003, 2014GB124005), the National Natural Science Foundation of China (NSFC-11575185, 11575186, and 11305171), JSPS-NRF-NSFC A3 Foresight Program (NSFC-11261140328), and the GeoAlgorithmic Plasma Simulator (GAPS) Project. NR 47 TC 1 Z9 1 U1 8 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 JUN PY 2016 VL 23 IS 6 AR 062505 DI 10.1063/1.4953608 PG 12 WC Physics, Fluids & Plasmas SC Physics GA DQ4KH UT WOS:000379172200056 ER PT J AU Pagoria, P AF Pagoria, Philip TI A Comparison of the Structure, Synthesis, and Properties of Insensitive Energetic Compounds SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Review DE Insensitive energetic compounds; Explosives; TATB; Nitrocompounds; Energetic heterocycles ID VICARIOUS NUCLEOPHILIC-SUBSTITUTION; IMPACT SENSITIVITY; POLYNITRO COMPOUNDS; CRYSTAL-STRUCTURE; N-NITROPYRAZOLES; EXPLOSIVES; PERFORMANCE; DERIVATIVES; REACTIVITY; MOLECULES AB The continued interest in improving the safety of munitions towards unintentional insults has led to a significant amount of research in the synthesis of new insensitive energetic compounds. This paper discusses various approaches to the synthesis of insensitive energetic compounds, theoretical modeling and correlations of structural properties that contribute to reducing the sensitivity of energetic compounds, and how synthetic chemists integrate theoretical predictions into the design and synthesis of new insensitive energetic compounds. C1 [Pagoria, Philip] Lawrence Livermore Natl Lab, 7000 East Ave,L-282, Livermore, CA 94550 USA. RP Pagoria, P (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-282, Livermore, CA 94550 USA. EM pagoria1@llnl.gov FU U.S. Department of Energy/U.S. Department of Defense Joint Munitions Program; U.S. Department of Energy [DE-AC52-07NA27344] FX I am grateful for support from the U.S. Department of Energy/U.S. Department of Defense Joint Munitions Program. Special thanks to Maoxi Zang, Alan DeHope, Phil Leonard, Nate Zuckerman, Ken Windler, and Ana Racoveanu for their contributions. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 104 TC 4 Z9 4 U1 10 U2 15 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2016 VL 41 IS 3 BP 452 EP 469 DI 10.1002/prep.201600032 PG 18 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA DQ2LL UT WOS:000379033700005 ER PT J AU Yeager, JD Luscher, DJ Vogel, SC Clausen, B Brown, DW AF Yeager, John D. Luscher, Darby J. Vogel, Sven C. Clausen, Bjorn Brown, Donald W. TI Neutron Diffraction Measurements and Micromechanical Modelling of Temperature-Dependent Variations in TATB Lattice Parameters SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE TATB; Lattice parameters; Texture; Crystallography; Neutron diffraction ID THERMAL-EXPANSION; 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TATB; TEXTURE MEASUREMENTS; VISCOPLASTIC POLYCRYSTALS; TOF DIFFRACTOMETER; RATCHET GROWTH; PBX 9502; HIPPO; FIELD; SCATTERING AB Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion ("ratchet growth") when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literature as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Finally, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research. C1 [Yeager, John D.] Los Alamos Natl Lab, Shock & Detonat Phys M 9, Los Alamos, NM 87545 USA. [Luscher, Darby J.] Los Alamos Natl Lab, Theoret Div T 3, Los Alamos, NM 87545 USA. [Vogel, Sven C.; Clausen, Bjorn; Brown, Donald W.] Los Alamos Natl Lab, Mat Sci & Technol Div MST 8, Los Alamos, NM 87545 USA. RP Yeager, JD (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys M 9, Los Alamos, NM 87545 USA. EM jyeager@lanl.gov RI Clausen, Bjorn/B-3618-2015; OI Clausen, Bjorn/0000-0003-3906-846X; Vogel, Sven C./0000-0003-2049-0361 FU B61 Life Extension Program at Los Alamos National Laboratory; National Nuclear Security Administration Science Campaign 1; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX The authors wish to thank several members of the High Explosive Science and Technology group at LANL: E. Hartline performed the particle size analysis, E. Roemer took the scanning electron micrographs, and A. Duque provided the TATB samples. The authors thank Marc Cawkwell for clarifying some differences amongst various force fields employed in molecular dynamics calculations and the resulting predictions of lattice structure. Funding for this research was provided by the B61 Life Extension Program at Los Alamos National Laboratory and by the National Nuclear Security Administration Science Campaign 1. 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 45 TC 0 Z9 0 U1 4 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2016 VL 41 IS 3 BP 514 EP 525 DI 10.1002/prep.201500286 PG 12 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA DQ2LL UT WOS:000379033700010 ER PT J AU Torres-Torres, C Perea-Lopez, N Elias, AL Gutierrez, HR Cullen, DA Berkdemir, A Lopez-Urias, F Terrones, H Terrones, M AF Torres-Torres, Carlos Perea-Lopez, Nestor Laura Elias, Ana Gutierrez, Humberto R. Cullen, David A. Berkdemir, Ayse Lopez-Urias, Florentino Terrones, Humberto Terrones, Mauricio TI Third order nonlinear optical response exhibited by mono- and few-layers of WS2 SO 2D MATERIALS LA English DT Article DE nonlinear optics; optical Kerr effect; nonlinear optical absorption; WS2; monolayers ID MONOLAYER MOS2; SATURABLE ABSORPTION; 2-DIMENSIONAL MOS2; FILMS; PHOTOLUMINESCENCE; GRAPHENE; DISPERSIONS AB In this work, strong third order nonlinear optical properties exhibited by WS2 layers are presented. Optical Kerr effect was identified as the dominant physical mechanism responsible for these third order optical nonlinearities. An extraordinary nonlinear refractive index together with an important contribution of a saturated absorptive response was observed to depend on the atomic layer stacking. Comparative experiments performed in mono-and few-layer samples of WS2 revealed that this material is potentially capable of modulating nonlinear optical processes by selective near resonant induced birefringence. We envision applications for developing all-optical bidimensional nonlinear optical devices. C1 [Torres-Torres, Carlos] Inst Politecn Nacl, ESIME ZAC, Secc Estudios Posgrad & Invest, Mexico City 07738, DF, Mexico. [Perea-Lopez, Nestor; Laura Elias, Ana; Berkdemir, Ayse; Terrones, Mauricio] Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA. [Perea-Lopez, Nestor; Laura Elias, Ana; Berkdemir, Ayse; Terrones, Mauricio] Penn State Univ, Ctr Dimens & Layered Mat 2, University Pk, PA 16802 USA. [Gutierrez, Humberto R.] Univ S Florida, Dept Phys, Tampa, FL 33620 USA. [Cullen, David A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Berkdemir, Ayse] Erciyes Univ, Nanotechnol Res Ctr, TR-38039 Kayseri, Turkey. [Berkdemir, Ayse] Erciyes Univ, Kayseri Vocat Coll, TR-38039 Kayseri, Turkey. [Lopez-Urias, Florentino] IPICyT, Adv Mat Dept, San Luis Potosi 78216, Slp, Mexico. [Terrones, Humberto] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, 110 Eighth St, Troy, NY 12180 USA. [Terrones, Mauricio] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Terrones, Mauricio] Shinshu Univ, Carbon Inst Sci & Technol, Wakasato 4-17-1, Nagano 3808553, Japan. RP Terrones, M (reprint author), Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.; Terrones, M (reprint author), Penn State Univ, Ctr Dimens & Layered Mat 2, University Pk, PA 16802 USA.; Terrones, M (reprint author), Penn State Univ, Dept Chem, University Pk, PA 16802 USA.; Terrones, M (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA.; Terrones, M (reprint author), Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA.; Terrones, M (reprint author), Shinshu Univ, Carbon Inst Sci & Technol, Wakasato 4-17-1, Nagano 3808553, Japan. EM mut11@psu.edu RI Perea-Lopez, Nestor/A-2683-2010; OI Perea-Lopez, Nestor/0000-0002-3197-759X; Cullen, David/0000-0002-2593-7866 FU US Army Research Office MURI [W911NF-11-1-0362]; National Science Foundation [EFRI-1433311, DMR-1557434]; Materials Simulation Center of the Materials Research Institute; Research Computing and Cyberinfrastructure unit of Information Technology Services; Penn State Center for Nanoscale Science; Penn State Center for Nanoscale Science [DMR-0820404]; Instituto Politecnico Nacional; CONACyT; ORNL's Center for Nanophase Materials Sciences (CNMS) which is a Department of Energy, Office of Science User Facility FX This work is supported by the US Army Research Office MURI grant W911NF-11-1-0362, the National Science Foundation (EFRI-1433311), the Materials Simulation Center of the Materials Research Institute, the Research Computing and Cyberinfrastructure unit of Information Technology Services, and Penn State Center for Nanoscale Science. MT also acknowledges support from the Penn State Center for Nanoscale Science for a seed grant on 2D Layered Materials (DMR-0820404). The authors also acknowledge the Center for 2-Dimensional and Layered Materials. CTT gratefully acknowledges the financial support from Instituto Politecnico Nacional and CONACyT. HRG acknowledges support from National Science Foundation (DMR-1557434). Research supported through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is a Department of Energy, Office of Science User Facility. NR 30 TC 1 Z9 1 U1 20 U2 31 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2053-1583 J9 2D MATER JI 2D Mater. PD JUN PY 2016 VL 3 IS 2 AR 021005 DI 10.1088/2053-1583/3/2/021005 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA DP5XL UT WOS:000378571400005 ER PT J AU Xu, F Ge, BH Chen, J Nathan, A Xin, LHL Ma, HY Min, HH Zhu, CY Xia, WW Li, ZR Li, SL Yu, KH Wu, LJ Cui, YP Sun, LT Zhu, YM AF Xu, Feng Ge, Binghui Chen, Jing Nathan, Arokia Xin, Linhuo L. Ma, Hongyu Min, Huihua Zhu, Chongyang Xia, Weiwei Li, Zhengrui Li, Shengli Yu, Kaihao Wu, Lijun Cui, Yiping Sun, Litao Zhu, Yimei TI Scalable shear-exfoliation of high-quality phosphorene nanoflakes with reliable electrochemical cycleability in nano batteries SO 2D MATERIALS LA English DT Article DE black phosphorus; phosphorene; shear exfoliation; in situ transmission electron microscopy; electrochemical lithiation/ delithiation; lithium-ion batteries ID LITHIUM-ION BATTERIES; TRANSMISSION ELECTRON-MICROSCOPY; FIELD-EFFECT TRANSISTORS; LAYER BLACK PHOSPHORUS; ANODE MATERIALS; CONVERSION MECHANISM; LIQUID EXFOLIATION; GRAPHENE SHEETS; LITHIATION; TRANSPORT AB Atomically thin black phosphorus (called phosphorene) holds great promise as an alternative to graphene and other two-dimensional transition -metal dichalcogenides as an anode material for lithium -ion batteries (LIBs). However, bulk black phosphorus (BP) suffers from rapid capacity fading and poor rechargeable performance. This work reports for the first time the use of in situ transmission electron microscopy (TEM) to construct nanoscale phosphorene LIBs. This enables direct visualization of the mechanisms underlying capacity fading in thick multilayer phosphorene through real-time capture of delithiation-induced structural decomposition, which serves to reduce electrical conductivity thus causing irreversibility of the lithiated phases. We further demonstrate that few layer -thick phosphorene successfully circumvents the structural decomposition and holds superior structural restorability, even when subject to multi -cycle lithiation/delithiation processes and concomitant huge volume expansion. This finding provides breakthrough insights into thickness dependent lithium diffusion kinetics in phosphorene. More importantly, a scalable liquid -phase shear exfoliation route has been developed to produce high -quality ultrathin phosphorene using simple means such as a high-speed shear mixer or even a household kitchen blender with the shear rate threshold of 1.25 x 10(4) s(-1). The results reported here will pave the way for industrial -scale applications of rechargeable phosphorene LIBs. C1 [Xu, Feng; Min, Huihua; Zhu, Chongyang; Xia, Weiwei; Li, Zhengrui; Li, Shengli; Yu, Kaihao; Sun, Litao] Southeast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanopico Ctr, Nanjing 210096, Jiangsu, Peoples R China. [Xu, Feng; Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Xu, Feng; Sun, Litao] Joint Res Inst Southeast Univ & Monash Univ, Ctr Adv Mat & Manufacture, Suzhou 215123, Peoples R China. [Ge, Binghui] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Chen, Jing; Cui, Yiping] Southeast Univ, Sch Elect Sci & Engn, Nanjing 210096, Jiangsu, Peoples R China. [Nathan, Arokia] Univ Cambridge, Engn Ctr Adv Photon & Elect, Cambridge CB2 1QA, England. [Xin, Linhuo L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Ma, Hongyu] China Univ Min & Technol, Res Ctr Internet Things, Xuzhou 221008, Peoples R China. RP Xu, F (reprint author), Southeast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanopico Ctr, Nanjing 210096, Jiangsu, Peoples R China.; Xu, F (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Xu, F (reprint author), Joint Res Inst Southeast Univ & Monash Univ, Ctr Adv Mat & Manufacture, Suzhou 215123, Peoples R China. EM fxu@seu.edu.cn; zhu@bnl.gov FU National Basic Research Program of China (973 Program) [2015CB352106]; National Natural Science Foundation of China (NSFC) [61574034, 51372039, 91333118, 11374332]; Thousand Talent Plan; Jiangsu Province Science and Technology Support Program [BK20141118, BK20151417]; China Postdoctoral Science Foundation [2014M550259, 2015T80480]; US DOE-BES [DE-AC02-98CH10886]; Center for Functional Nanomaterials, US DOE Office of Science Facility, at Brookhaven National Laboratory [DE-SC0012704] FX This work was supported by National Basic Research Program of China (973 Program, Grant No. 2015CB352106), National Natural Science Foundation of China (NSFC, Grant Nos. 61574034, 51372039, 91333118, and 11374332), Thousand Talent Plan, Jiangsu Province Science and Technology Support Program (Grant Nos. BK20141118 and BK20151417), China Postdoctoral Science Foundation Funded Project (Grant No. 2014M550259, 2015T80480). The work at Brookhaven National Lab is supported by US DOE-BES under Contract number DE-AC02-98CH10886. HLX is supported by the Center for Functional Nanomaterials, which is a US DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. NR 76 TC 3 Z9 3 U1 44 U2 94 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2053-1583 J9 2D MATER JI 2D Mater. PD JUN PY 2016 VL 3 IS 2 AR 025005 DI 10.1088/2053-1583/3/2/025005 PG 12 WC Materials Science, Multidisciplinary SC Materials Science GA DP5XL UT WOS:000378571400025 ER PT J AU Cheng, SF Grest, GS AF Cheng, Shengfeng Grest, Gary S. TI Dispersing Nanoparticles in a Polymer Film via Solvent Evaporation SO ACS MACRO LETTERS LA English DT Article ID MOLECULAR-DYNAMICS; GOLD NANOPARTICLES; THIN-FILMS; NANOCOMPOSITES; BEHAVIOR; ORIGINS; IMPACT; MELTS AB Large-scale molecular dynamics simulations are used to study the dispersion of nanoparticles (NPs) in a polymer film during solvent evaporation. As the solvent evaporates, a dense polymer-rich skin layer forms at the liquid/vapor interface, which is either NP rich or poor depending on the strength of the NP/polymer interaction. When the NPs are strongly wet by the polymer, the NPs accumulate at the interface and form layers. However, when the NPs are only partially wet by the polymer, most NPs are uniformly distributed in the bulk of the polymer film, with the dense skin layer serving as a barrier to prevent the NPs from moving to the interface. Our results point to a possible route to employ less favorable NP/polymer interactions and fast solvent evaporation to uniformly disperse NPs in a polymer film, contrary to the common belief that strong NP/polymer attractions are needed to make NPs well dispersed in polymer nanocomposites. C1 [Cheng, Shengfeng] Virginia Polytech Inst & State Univ, Dept Phys, Ctr Soft Matter & Biol Phys, Blacksburg, VA 24061 USA. [Cheng, Shengfeng] Virginia Polytech Inst & State Univ, Macromol Innovat Inst, Blacksburg, VA 24061 USA. [Grest, Gary S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Cheng, SF (reprint author), Virginia Polytech Inst & State Univ, Dept Phys, Ctr Soft Matter & Biol Phys, Blacksburg, VA 24061 USA.; Cheng, SF (reprint author), Virginia Polytech Inst & State Univ, Macromol Innovat Inst, Blacksburg, VA 24061 USA.; Grest, GS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM chengsf@vt.edu; gsgrest@sandia.gov OI Cheng, Shengfeng/0000-0002-6066-2968 FU Office of Science of the United States Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the United States Department of Energy under Contract No. DE-AC02-05CH11231. These resources were obtained through the Advanced Scientific Computing Research (ASCR) Leadership Computing Challenge (ALCC). 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 44 TC 2 Z9 2 U1 18 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD JUN PY 2016 VL 5 IS 6 BP 694 EP 698 DI 10.1021/acsmacrolett.6b00263 PG 5 WC Polymer Science SC Polymer Science GA DP6AF UT WOS:000378578600011 ER PT J AU Jesse, S Borisevich, AY Fowlkes, JD Lupini, AR Rack, PD Unocic, RR Sumpter, BG Kalinin, SV Belianinov, A Ovchinnikova, OS AF Jesse, Stephen Borisevich, Albina Y. Fowlkes, Jason D. Lupini, Andrew R. Rack, Philip D. Unocic, Raymond R. Sumpter, Bobby G. Kalinin, Sergei V. Belianinov, Alex Ovchinnikova, Olga S. TI Directing Matter: Toward Atomic-Scale 3D Nanofabrication SO ACS NANO LA English DT Review DE scanning electron microscopy; scanning transmission electron microscopy; helium ion microscopy; direct-write; nanofabrication; nanolithography; atomic manipulation; atom dynamics ID BEAM-INDUCED DEPOSITION; FOCUSED-ELECTRON-BEAM; HELIUM-ION-BEAM; SCANNING-TUNNELING-MICROSCOPY; CHEMICAL-VAPOR-DEPOSITION; HIGH-RESOLUTION; IMAGE REGISTRATION; MOLYBDENUM-DISULFIDE; INDUCED OXIDATION; LAYER DEPOSITION AB Enabling memristive, neuromorphic, and quantum-based computing as well as efficient mainstream energy storage and conversion technologies requires the next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed toward this goal through various lithographies and scanning-probe-based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron- and ion-based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3D structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano and atomic scales and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis, and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. In this paper, we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large-scale data analysis with theory, and discuss future prospects of these technologies. C1 [Jesse, Stephen; Borisevich, Albina Y.; Fowlkes, Jason D.; Rack, Philip D.; Unocic, Raymond R.; Sumpter, Bobby G.; Kalinin, Sergei V.; Belianinov, Alex; Ovchinnikova, Olga S.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Jesse, Stephen; Borisevich, Albina Y.; Lupini, Andrew R.; Unocic, Raymond R.; Kalinin, Sergei V.; Belianinov, Alex; Ovchinnikova, Olga S.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Borisevich, Albina Y.; Lupini, Andrew R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Fowlkes, Jason D.; Rack, Philip D.] Univ Tennessee, Dept Mat Sci, Knoxville, TN 37996 USA. RP Jesse, S; Ovchinnikova, OS (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Jesse, S; Ovchinnikova, OS (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. EM sjesse@ornl.gov; ovchinnikovo@ornl.gov NR 203 TC 3 Z9 3 U1 50 U2 100 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5600 EP 5618 DI 10.1021/acsnano.6b02489 PG 19 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700003 PM 27183171 ER PT J AU Leenheer, AJ Jungjohann, KL Zavadil, KR Harris, CT AF Leenheer, Andrew J. Jungjohann, Katherine L. Zavadil, Kevin R. Harris, Charles T. TI Phase Boundary Propagation in Li-Alloying Battery Electrodes Revealed by Liquid-Cell Transmission Electron Microscopy SO ACS NANO LA English DT Article DE liquid-cell electron microscopy; in situ TEM; phase transformations; batteries; energy storage ID LITHIUM-ION BATTERIES; IN-SITU; PLASTIC-DEFORMATION; NEGATIVE ELECTRODES; AMORPHOUS-SILICON; LITHIATION; ALUMINUM; DELITHIATION; ANODES; EVOLUTION AB Battery cycle life is directly influenced by the microstructural changes occurring in the electrodes during charge and discharge cycles. Here, we image in situ the nanoscale phase evolution in negative electrode materials for Li-ion batteries using a fully enclosed liquid cell in a transmission electron microscope (TEM) to reveal early degradation that is not evident in the charge discharge curves. To compare the electrochemical phase transformation behavior between three model materials, thin films of amorphous Si, crystalline Al, and crystalline Au were lithiated and delithiated at controlled rates while immersed in a commercial liquid electrolyte. This method allowed for the direct observation of lithiation mechanisms in nanoscale negative electrodes, revealing that a simplistic model of a surface to-interior lithiation front is insufficient. For the crystalline films, a lithiation front spread laterally from a few initial nucleation points, with continued grain nucleation along the growing interface. The intermediate lithiated phases were identified using electron diffraction, and high-resolution postmortem imaging revealed the details of the final microstructure. Our results show that electrochemically induced solid solid phase transformations can lead to highly concentrated stresses at the laterally propagating phase boundary which should be considered for future designs of nanostructured electrodes for Li-ion batteries. C1 [Leenheer, Andrew J.; Jungjohann, Katherine L.; Harris, Charles T.] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. [Zavadil, Kevin R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Leenheer, AJ; Harris, CT (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM ajleenh@sandia.gov; ctharri@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160] FX We thank Michael Shaw and the Sandia MESA CMOS fabrication facility for design and production of the TEM liquid cells and Barry Carter for useful discussions on TEM diffraction and contrast. This work was performed at the Center for Integrated Nanotechnologies (CINT), 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. This work was supported in part by the Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. NR 42 TC 4 Z9 4 U1 28 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5670 EP 5678 DI 10.1021/acsnano.6b02200 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700009 PM 27243921 ER PT J AU Das, PM Danda, G Cupo, A Parkin, WM Liang, LB Kharche, N Ling, X Huang, SX Dresselhaus, MS Meunier, V Drndic, M AF Das, Paul Masih Danda, Gopinath Cupo, Andrew Parkin, William M. Liang, Liangbo Kharche, Neerav Ling, Xi Huang, Shengxi Dresselhaus, Mildred S. Meunier, Vincent Drndic, Marija TI Controlled Sculpture of Black Phosphorus Nanoribbons SO ACS NANO LA English DT Article DE few-layer black phosphorus; phosphorene; nanoribbon; nanopore; armchair; zigzag ID INPLANE THERMAL-CONDUCTIVITY; FIELD-EFFECT TRANSISTORS; ELECTRON-BEAM; GRAPHENE NANORIBBONS; ATOMIC-STRUCTURE; TRANSPORT; EXFOLIATION; PASSIVATION; MICROSCOPE; RESOLUTION AB Black phosphorus (BP) is a highly anisotropic allotrope of phosphorus with great promise for fast functional electronics and optoelectronics. We demonstrate the controlled structural modification of few-layer BP along arbitrary crystal directions with sub-nanometer precision for the formation of few-nanometer-wide armchair and zigzag BP nanoribbons. Nanoribbons are fabricated, along with nanopores and nanogaps, using a combination of mechanical-liquid exfoliation and in situ transmission electron microscopy (TEM) and scanning TEM nano sculpting. We predict that the few-nanometer-wide BP nanoribbons realized experimentally possess clear one-dimensional quantum confinement, even when the systems are made up of a few layers. The demonstration of this procedure is key for the development of BP-based electronics, optoelectronics, thermoelectrics, and other applications in reduced dimensions. C1 [Das, Paul Masih; Danda, Gopinath; Parkin, William M.; Drndic, Marija] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Danda, Gopinath] Univ Penn, Dept Elect & Syst Engn, Philadelphia, PA 19104 USA. [Cupo, Andrew; Kharche, Neerav; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Liang, Liangbo] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Ling, Xi; Huang, Shengxi; Dresselhaus, Mildred S.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. RP Drndic, M (reprint author), Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA.; Meunier, V (reprint author), Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. EM meuniv@rpi.edu; drndic@physics.upenn.edu RI Liang, Liangbo/H-4486-2011; OI Liang, Liangbo/0000-0003-1199-0049; Danda, Gopinath/0000-0003-3455-3474; Masih Das, Paul/0000-0003-2644-2280 FU NIH [R21HG007856]; NSF Grant EFRI 2-DARE [EFRI-1542707]; Eugene P. Wigner Fellowship at Oak Ridge National Laboratory; U.S. DOE, Office of Science, Basic Energy Sciences [DE SC0001299] FX This work was supported in part by NIH Grant R21HG007856 and by NSF Grant EFRI 2-DARE (EFRI-1542707). The authors gratefully acknowledge use of the TEM in the NSF-MRSEC electron microscopy facility and the use of the AFM in the Nanoscale Characterization Facility, both at the University of Pennsylvania, and use of the STEM in the Center for Advanced Materials and Nanotechnology at Lehigh University. We thank Dr. D. Yates and Dr. M. Brukman at the University of Pennsylvania and Dr. R. Keyse at Lehigh University for their assistance. Calculations were performed using resources at the Center for Computational Innovations (CCI) at Rensselaer Polytechnic Institute. L.L. was supported by the Eugene P. Wigner Fellowship at Oak Ridge National Laboratory and also acknowledges work at the Center for Nanophase Materials Sciences, a DOE Office of Science User Facility. Work by X.L., S.H., and M.S.D., developing procedures for preparation of black phosphorus samples, was supported as part of the Solid-State Solar Thermal Energy Conversion Center, an Energy Frontier Research Center funded by the U.S. DOE, Office of Science, Basic Energy Sciences, under Award #DE SC0001299. NR 51 TC 6 Z9 6 U1 36 U2 75 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5687 EP 5695 DI 10.1021/acsnano.6b02435 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700011 ER PT J AU Mahalik, JP Brown, KA Cheng, XL Fuentes-Cabrera, M AF Mahalik, J. P. Brown, Kirsten A. Cheng, Xiaolin Fuentes-Cabrera, Miguel TI Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome's Facet SO ACS NANO LA English DT Article DE carboxysome; protein self-assembly; potential of mean force; all-atomistic; coarse-grain model; nucleation-growth ID COARSE-GRAINED MODELS; BINDING FREE-ENERGIES; VIRUS CAPSIDS; COMPUTER-SIMULATIONS; PROTEIN AGGREGATION; SHELL PROTEINS; DYNAMICS; ORGANELLES; STABILITY; MECHANISM AB Bacterial micro compartments, BMCs, are organelles that exist within wide variety of bacteria and act as nanofactories. Among the different types of known BMCs, the carboxysome has been studied the most. The carboxysome plays an important role in the light-independent part of the photosynthesis process, where its icosahedral-like proteinaceous shell acts as a membrane that controls the transport of metabolites. Although a structural model exists for the carboxysome shell, it remains largely unknown how the shell proteins self-assemble. Understanding the self-assembly process can provide insights into how the shell affects the carboxysome's function and how it can be modified to create new functionalities, such as artificial nanoreactors and artificial protein membranes. Here, we describe a theoretical framework that employs Monte Carlo simulations with a coarse-grain potential that reproduces well the atomistic potential of mean force; employing this framework, we are able to capture the initial stages of the 2D self-assembly of CcmK2 hexamers, a major protein-shell component of the carboxysome's facet. The simulations reveal that CcmK2 hexamers self-assemble into clusters that resemble what was seen experimentally in 2D layers. Further analysis of the simulation results suggests that the 2D self-assembly of carboxysome's facets is driven by a nucleation growth process, which in turn could play an important role in the hierarchical self assembly of BMC shells in general. C1 [Mahalik, J. P.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Cheng, Xiaolin] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Brown, Kirsten A.] Mercer Univ, Dept Chem, 1501 Mercer Univ Dr, Macon, GA 31207 USA. [Cheng, Xiaolin] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Walters Life Sci M407, 1414 Cumberland Ave, Knoxville, TN 37996 USA. RP Mahalik, JP (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.; Fuentes-Cabrera, M (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Fuentes-Cabrera, M (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM mahalikjp@ornl.gov; fuentescabma@ornl.gov RI Fuentes-Cabrera, Miguel/Q-2437-2015 OI Fuentes-Cabrera, Miguel/0000-0001-7912-7079 FU U.S. Department of Energy; Oak Ridge Associated Universities FX This research was conducted at the Center for Nanophase Materials Sciences (CNMS), which is a U.S. Department of Energy Office of Science User Facility. K.B. was supported by an appointment under the Science Undergraduate Laboratory Internships (SULI), administered by the Oak Ridge Institute for Science and Education between the U.S. Department of Energy and Oak Ridge Associated Universities. The computations were performed using resources of the CNMS and the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory. The authors would like to thank Mitch Doktycz, David Garcia, Pat Collier, Scott Retterer, Rajeev Kumar, and Bobby Sumpter for insightful discussions. NR 48 TC 0 Z9 0 U1 12 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5751 EP 5758 DI 10.1021/acsnano.5b07805 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700018 PM 26906087 ER PT J AU Cunningham, PD Souza, JB Fedin, I She, CX Lee, B Talapin, DV AF Cunningham, Patrick D. Souza, Joao B., Jr. Fedin, Igor She, Chunxing Lee, Byeongdu Talapin, Dmitri V. TI Assessment of Anisotropic Semiconductor Nanorod and Nanoplatelet Heterostructures with Polarized Emission for Liquid Crystal Display Technology SO ACS NANO LA English DT Article DE semiconductor nanocrystals; quantum dots; nanorods; nanoplatelets; polarized luminescence; liquid crystal display ID LUMINESCENT SOLAR CONCENTRATORS; SEEDED CDSE/CDS NANORODS; LIGHT-EMITTING DEVICES; QUANTUM DOTS; COLLOIDAL NANOPLATELETS; ELECTRONIC-STRUCTURE; NANOCRYSTALS; SURFACE; DIODES; GROWTH AB Semiconductor nanorods can emit linear-polarized light at efficiencies over 80%. Polarization of light in these systems, confirmed through single-rod spectroscopy, can be explained on the basis of the anisotropy of the transition dipole moment and dielectric confinement effects. Here we report emission polarization in macroscopic semiconductor polymer composite films containing CdSe/CdS nanorods and colloidal CdSe nanoplatelets. Anisotropic nanocrystals dispersed in polymer films of poly butyl-co-isobutyl methacrylate (PBiBMA) can be stretched mechanically in order to obtain unidirectionally aligned arrays. A high degree of alignment, corresponding to an orientation factor of 0.87, was achieved and large areas demonstrated polarized emission, with the contrast ratio I-parallel to/I-perpendicular to= 5.6, making these films viable candidates for use in liquid crystal display (LCD) devices. To some surprise, we observed significant optical anisotropy and emission polarization for 2D CdSe nanoplatelets with the electronic structure of quantum wells. The aligned nanorod arrays serve as optical funnels, absorbing unpolarized light and re-emitting light from deep-green to red with quantum efficiencies over 90% and high degree of linear polarization. Our results conclusively demonstrate the benefits of anisotropic nanostructures for LCD backlighting. The polymer films with aligned CdSe/CdS dot-in-rod and rod-in-rod nanostructures show more than 2-fold enhancement of brightness compared to the emitter layers with randomly oriented nanostructures. This effect can be explained as the combination of linearly polarized luminescence and directional emission from individual nanostructures. C1 [Cunningham, Patrick D.; Souza, Joao B., Jr.; Fedin, Igor; She, Chunxing; Talapin, Dmitri V.] Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. [Cunningham, Patrick D.; Souza, Joao B., Jr.; Fedin, Igor; She, Chunxing; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Souza, Joao B., Jr.] Univ Sao Paulo, Inst Quim Sao Carlos, Colloidal Mat Grp, CP 780, BR-13566590 Sao Paulo, Brazil. [Lee, Byeongdu] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA.; Talapin, DV (reprint author), Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA.; Talapin, DV (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM dvtalapin@uchicago.edu FU Samsung GRO Program on New Materials; Air Force Office of Scientific Research [FA9550-14-1-0367]; University of Chicago NSF MRSEC Program [DMR-14-20703]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; FAPESP (Fundacao de Amparo a Pesquisa do Estado de Sao Paulo) [2014/10736-7] FX This work was supported by the Samsung GRO Program on New Materials, by the Air Force Office of Scientific Research under grant number FA9550-14-1-0367 and by the University of Chicago NSF MRSEC Program under Award Number DMR-14-20703. This research used resources of the Center for Nanoscale Materials and Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facilities operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. J.B. Souza Jr. is grateful to FAPESP (Fundacao de Amparo a Pesquisa do Estado de Sao Paulo, Grant No. 2014/10736-7) for the research internships abroad (BEPE) fellowship. The authors would like to thank Benjamin Diroll for helpful discussions. NR 63 TC 2 Z9 2 U1 27 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5769 EP 5781 DI 10.1021/acsnano.5b07949 PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700020 PM 27203222 ER PT J AU Doane, TL Ryan, KL Pathade, L Cruz, KJ Zang, HD Cotlet, M Maye, MM AF Doane, Tennyson L. Ryan, Kayla L. Pathade, Laxmikant Cruz, Kevin J. Zang, Huidong Cotlet, Mircea Maye, Mathew M. TI Using Perovskite Nanoparticles as Halide Reservoirs in Catalysis and as Spectrochemical Probes of Ions in Solution SO ACS NANO LA English DT Article DE nano; perovskite; CsPbX3; lead halide; anion exchange; chemical assay; Finkelstein; colorimetric; spectrochemical ID SOLAR-CELLS; ANION-EXCHANGE; SEMICONDUCTOR NANOCRYSTALS; GENOTOXIC IMPURITIES; METAL NANOPARTICLES; OPTICAL-PROPERTIES; CSPBX3; SHAPE; SIZE; BR AB The ability of cesium lead halide (CsPbX3; X = Cl-, Br-, I-) perovskite nanoparticles (P-NPs) to participate in halide exchange reactions, to catalyze Finkelstein organohalide substitution reactions, and to colorimetrically monitor chemical reactions and detect anions in real time is described. With the use of tetraoctylammonium halide salts as a starting point, halide exchange with the P-NPs was performed to calibrate reactivity, stability, and extent of ion exchange. The exchange of CsPbI3 with Cl- or Br- causes a significant blue-shift in absorption and photoluminescence, whereas reacting I- with CsPbBr3 causes a red-shift of similar magnitudes. With the high local halide concentrations and the facile nature of halide exchange in mind, we then explored the ability of P-NPs to catalyze organohalide exchange in Finkelstein like reactions. Results indicate that the P-NPs serve as excellent halide reservoirs for substitution of organohalides in nonpolar media, leading to not only different organohalide products, but also a complementary color change over the course of the reaction, which can be used to monitor kinetics in a precise manner. The merits of using P-NP as spectrochemical probes for real time assaying is then expanded to other anions which can react with, or result in unique, classes of perovskites. C1 [Doane, Tennyson L.; Ryan, Kayla L.; Pathade, Laxmikant; Cruz, Kevin J.; Maye, Mathew M.] Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA. [Zang, Huidong; Cotlet, Mircea] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Doane, TL; Maye, MM (reprint author), Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA. EM tdoane@syr.edu; mmmaye@syr.edu OI Pathade, Laxmikant/0000-0001-7249-4247 FU Department of Energy Basic Energy Sciences division [DES C0012704] FX We thank Dr. Burkhardt I. Wilke and Arijit Adhikari from the Han and Chisholm research groups at Syracuse University (SU) for thoughtful discussions. M.M.M. acknowledges a SU Dean's Professor of Science fellowship, and a SU Forensic National Science and Security Institute fellowship. The TEM and PL-decay measurements were performed as USERS of the Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory. The CFN is supported by the Department of Energy Basic Energy Sciences division (DES C0012704). NR 36 TC 6 Z9 6 U1 25 U2 59 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 5864 EP 5872 DI 10.1021/acsnano.6b00806 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700029 PM 27149396 ER PT J AU Fowlkes, JD Winkler, R Lewis, BB Stanford, MG Plank, H Rack, PD AF Fowlkes, Jason D. Winkler, Robert Lewis, Brett B. Stanford, Michael G. Plank, Harald Rack, Philip D. TI Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition SO ACS NANO LA English DT Article DE 3D nanoprinting direct-write; focused electron beam induced deposition; nanofabrication ID NANOSTRUCTURE FABRICATION; PURIFICATION; FREQUENCIES; RESOLUTION; CHEMISTRY; EVOLUTION; PRECURSOR; PLATINUM; ORIGINS AB Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. In part, this is due to the dynamic interplay between electron solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties. A hybrid Monte Carlo continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. Using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors. C1 [Fowlkes, Jason D.; Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanofabricat Res Lab, Oak Ridge, TN 37831 USA. [Fowlkes, Jason D.; Lewis, Brett B.; Stanford, Michael G.; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Winkler, Robert; Plank, Harald] Graz Ctr Electron Microscopy, Steyrergasse 17, A-8010 Graz, Austria. [Plank, Harald] Graz Univ Technol, Inst Electron Microscopy & Nanoanal, Steyrergasse 17, A-8010 Graz, Austria. RP Fowlkes, JD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanofabricat Res Lab, Oak Ridge, TN 37831 USA.; Fowlkes, JD (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Plank, H (reprint author), Graz Ctr Electron Microscopy, Steyrergasse 17, A-8010 Graz, Austria.; Plank, H (reprint author), Graz Univ Technol, Inst Electron Microscopy & Nanoanal, Steyrergasse 17, A-8010 Graz, Austria. EM fo2@ornl.gov; harald.plank@felmi-zfe.at FU COST action CELINA [CM1301]; EUROSTARS project TRIPLE-S [E! 8213]; bmvit exchange program; National Defense Science and Engineering Graduate Fellowship - AFOSR; University of Tennessee Chancellor's Fellowship program FX J.D.F. and P.D.R acknowledge the creation of the model and simulation conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. R.W. and H.P. gratefully acknowledge the valuable support provided by Prof. Dr. Ferdinand Hofer. R.W. and H.P. also acknowledge financial support by the COST action CELINA (No. CM1301), EUROSTARS project TRIPLE-S (No. E! 8213), and the bmvit exchange program. M.G.S. acknowledges support from the National Defense Science and Engineering Graduate Fellowship funded through the AFOSR B.B.L. acknowledges support via the University of Tennessee Chancellor's Fellowship program. NR 43 TC 3 Z9 3 U1 19 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 6163 EP 6172 DI 10.1021/acsnano.6b02108 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700063 PM 27284689 ER PT J AU Niu, KY Liu, M Persson, KA Han, Y Zheng, HM AF Niu, Kai-Yang Liu, Miao Persson, Kristin A. Han, Yu Zheng, Haimei TI Strain-Mediated Interfacial Dynamics during Au-PbS Core-Shell Nanostructure Formation SO ACS NANO LA English DT Article DE liquid cell TEM; gold nanorod; core-shell nanostructure; heterogeneous growth; interfacial strain ID ELECTRON-MICROSCOPY; CATALYTIC-ACTIVITY; OPTICAL-PROPERTIES; EPITAXIAL-GROWTH; GOLD NANORODS; NANOPARTICLES; NANOCRYSTALS; TRANSFORMATION; DISPLACEMENT; IRRADIATION AB An understanding of the hierarchical nano structure formation is of significant importance for the design of advanced functional materials. Here, we report the in situ study of lead sulfide (PbS) growth on gold (Au) nanorod seeds using liquid cell transmission electron microscopy (TEM). By tracking the formation dynamics of Au PbS core shell nanoparticles, we found the preferential heterogeneous nucleation of PbS on the ends of a Au nanorod prior to the development of a complete PdS shell. During PbS shell growth, drastic sulfidation of Au nanorod was observed, leading to large volume shrinkage (up to 50%) of the initial Au nanorod seed. We also captured intriguing wavy interfacial behavior, which can be explained by our DFT calculation results that the local strain gradient at the core shell interface facilitates the mass transport and mediates reversible phase transitions of Au <-> Au2S during the PbS shell growth. C1 [Niu, Kai-Yang; Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Liu, Miao; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Han, Yu] King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Adv Membranes & Porous Mat Ctr, Thuwal 239556900, Saudi Arabia. [Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zheng, HM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Zheng, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hmzheng@lbl.gov OI Liu, Miao/0000-0002-1843-9519 FU U.S. Department of Energy Basic Energy Sciences [DE-AC02-05CH11231]; DOE Office of Science Early Career Research Program; Department of Energy's Basic Energy Sciences program [EDCBEE] FX We acknowledge the facility support of National Center for Electron Microscopy (NCEM) at the Molecular Foundry of Lawrence Berkeley National Laboratory, which is funded by the U.S. Department of Energy Basic Energy Sciences under the Contract No. DE-AC02-05CH11231. H.Z. thanks the support of DOE Office of Science Early Career Research Program. The computational work was supported by the Department of Energy's Basic Energy Sciences program - the Materials Project - under Grant No. EDCBEE. We also thank Dr. Karen Bustillo in NCEM for her help on the TEM analyzes. NR 39 TC 1 Z9 1 U1 27 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 6235 EP 6240 DI 10.1021/acsnano.6b02331 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700071 PM 27214625 ER PT J AU Kim, PY Ribbe, AE Russell, TP Hoagland, DA AF Kim, Paul Y. Ribbe, Alexander E. Russell, Thomas P. Hoagland, David A. TI Visualizing the Dynamics of Nanoparticles in Liquids by Scanning Electron Microscopy SO ACS NANO LA English DT Article DE ionic liquid; electron microscopy; nanoparticle; motion tracking ID TEMPERATURE IONIC LIQUIDS; SYMMETRIC TOP MACROMOLECULES; SILICA NANOPARTICLES; CIRCULAR-CYLINDERS; BROWNIAN-MOTION; THIN-FILM; DIFFUSION; PARTICLES; SOLVENTS; GROWTH AB Taking advantage of ionic liquid nonvolatility, the Brownian motions of nanospheres and nanorods in free-standing liquid films were visualized in situ by scanning electron microscopy. Despite the imaging environment's high vacuum, a liquid cell was not needed. For suspensions that are dilute and films that are thick compared to the particle diameter, the translational and rotational diffusion coefficients determined by single-particle tracking agree with theoretical predictions. In thinner films, a striking dynamical pairing of nanospheres was observed, manifesting a balance of capillary and hydrodynamic interactions, the latter strongly accentuated by the two-dimensional film geometry. Nanospheres at high concentration displayed subdiffusive caged motion. Concentrated nanorods in the thinner films transiently assembled into finite stacks but did not achieve high tetratic order. The illustrated imaging protocol will broadly apply to the study of soft matter structure and dynamics with great potential impact. C1 [Kim, Paul Y.; Ribbe, Alexander E.; Russell, Thomas P.; Hoagland, David A.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Russell, TP; Hoagland, DA (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.; Russell, TP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM russell@mail.pse.umass.edu; hoagland@mail.pse.umass.edu RI Ribbe, Alexander/D-4988-2009 OI Ribbe, Alexander/0000-0002-9924-3429 FU National Science Foundation through an EAGER Award [DMR-1619651]; University of Massachusetts Materials Science and Engineering Center (MRSEC) [DMR-0820506]; Laboratory Directed Research and Development (LDRD) Program at Lawrence Berkeley National Laboratory FX We acknowledge the support of the National Science Foundation through an EAGER Award (DMR-1619651). We thank Evonik-Goldschmidt for providing [emim] [EtSO4]. The University of Massachusetts Materials Science and Engineering Center (MRSEC DMR-0820506) partially funded P.Y.K. and the use of the Shared Experimental Facilities, in particular, the University of Massachusetts Keck Electron Microscopy Facility. Laboratory Directed Research and Development (LDRD) Program at Lawrence Berkeley National Laboratory also partially supported T.P.R. NR 48 TC 1 Z9 1 U1 25 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 6257 EP 6264 DI 10.1021/acsnano.6b02432 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700074 PM 27163648 ER PT J AU Ulstrup, S Cabo, AG Miwa, JA Riley, JM Gronborg, SS Johannsen, JC Cacho, C Alexander, O Chapman, RT Springate, E Bianchi, M Dendzik, M Lauritsen, JV King, PDC Hofmann, P AF Ulstrup, Soren Cabo, Antonija Grubisic Miwa, Jill A. Riley, Jonathon M. Gronborg, Signe S. Johannsen, Jens C. Cacho, Cephise Alexander, Oliver Chapman, Richard T. Springate, Emma Bianchi, Marco Dendzik, Maciej Lauritsen, Jeppe V. King, Phil D. C. Hofmann, Philip TI Ultrafast Band Structure Control of a Two-Dimensional Heterostructure SO ACS NANO LA English DT Article DE ultrafast time- and angle-resolved photoemission; band gap renormalization; 2D material heterostructures; graphene; transition metal dichalcogenides; MoS2 ID SINGLE-LAYER MOS2; GAP RENORMALIZATION; GRATING MONOCHROMATOR; GRAPHENE; DYNAMICS; SEMICONDUCTOR; SPECTROSCOPY; CARRIERS AB The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material or by environmental screening from the surrounding medium. The physical properties of 2D semiconductors placed in a heterostructure with other 2D materials are therefore governed by a complex interplay of both intra- and interlayer interactions. Here, using time- and angle-resolved photo emission, we are able to isolate both the layer-resolved band structure and, more importantly, the transient band structure evolution of a model 2D heterostructure formed of a single layer of MoS2 on graphene. Our results reveal a pronounced renormalization of the quasiparticle gap of the MoS2 layer. Following optical excitation, the band gap is reduced by up to similar to 400 meV on femtosecond time scales due to a persistence of strong electronic interactions despite the environmental screening by the n -doped graphene. This points to a large degree of tunability of both the electronic structure and the electron dynamics for 2D semiconductors embedded in a van der Waals-bonded heterostructure. C1 [Ulstrup, Soren] EO Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Cabo, Antonija Grubisic; Miwa, Jill A.; Gronborg, Signe S.; Bianchi, Marco; Dendzik, Maciej; Lauritsen, Jeppe V.; Hofmann, Philip] Aarhus Univ, Interdisciplinary Nanosci Ctr, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Riley, Jonathon M.; King, Phil D. C.] Univ St Andrews, Sch Phys & Astron, SUPA, St Andrews KY16 9AJ, Fife, Scotland. [Johannsen, Jens C.] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland. [Cacho, Cephise; Alexander, Oliver; Chapman, Richard T.; Springate, Emma] STFC Rutherford Appleton Lab, Cent Laser Facil, Harwell OX11 0QX, Oxon, England. RP Hofmann, P (reprint author), Aarhus Univ, Interdisciplinary Nanosci Ctr, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. EM philip@phys.au.dk RI Dendzik, Maciej/L-6611-2016; King, Philip/D-3809-2014; Hofmann, Philip/B-5938-2008; Bianchi, Marco/O-4544-2015; Ulstrup, Soren/B-9190-2017; OI Dendzik, Maciej/0000-0002-4179-0040; King, Philip/0000-0002-6523-9034; Hofmann, Philip/0000-0002-7367-5821; Bianchi, Marco/0000-0002-0122-9443; Ulstrup, Soren/0000-0001-5922-4488; Lauritsen, Jeppe/0000-0003-4953-652X FU VILLUM foundation; Lundbeck foundation; EPSRC [EP/I031014/1, EP/L505079/1]; Royal Society; Swiss National Science Foundation (NSF); Danish Council for Independent Research, Natural Sciences under the Sapere Aude program [DFF-4002-00029, DFF-4090-00125]; STFC FX We thank Phil Rice for technical support during the Artemis beamtime. We gratefully acknowledge funding from the VILLUM foundation, the Lundbeck foundation, EPSRC (Grant Nos. EP/I031014/1 and EP/L505079/1), The Royal Society and the Swiss National Science Foundation (NSF). P.H. and S.U. acknowledge financial support from the Danish Council for Independent Research, Natural Sciences under the Sapere Aude program (Grant Nos. DFF-4002-00029 and DFF-4090-00125). Access to the Artemis Facility was funded by STFC. Data underpinning this publication can be accessed at http://dx.doi.org/10.17630/2898c6e7-00ba-44fe-9ca2-cb08501a6bca. NR 37 TC 6 Z9 6 U1 42 U2 86 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 6315 EP 6322 DI 10.1021/acsnano.6b02622 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700081 PM 27267820 ER PT J AU Wang, CY Chen, DP Sang, XH Unocic, RR Skrabalak, SE AF Wang, Chenyu Chen, Dennis P. Sang, Xiahan Unocic, Raymond R. Skrabalak, Sara E. TI Size-Dependent Disorder-Order Transformation in the Synthesis of Monodisperse Intermetallic PdCu Nanocatalysts SO ACS NANO LA English DT Article DE seed-mediated co-reduction; nanocrystals; electrocatalysis; disorder-order transformation ID OXYGEN REDUCTION REACTION; CATALYTIC-ACTIVITY; ALLOY NANOPARTICLES; NANOCRYSTALS; ELECTROCATALYSTS; ENHANCEMENT; STABILITY; DIFFUSION; METALS; ORIGIN AB The high performance of Pd-based intermetallic nano catalysts has the potential to replace Pt-containing catalysts for fuel-cell reactions. Conventionally, intermetallic particles are obtained through the annealing of nanoparticles of a random alloy distribution. However, this method inevitably leads to sintering of the nanoparticles and generates polydisperse samples. Here, monodisperse PdCu nanoparticles with the ordered B2 phase were synthesized by seed-mediated co-reduction using PdCu nanoparticle seeds with a random alloy distribution (A1 phase). A time-evolution study suggests that the particles must overcome a size-dependent activation barrier for the ordering process to occur. Characterization of the as-prepared PdCu B2 nanoparticles by electron microscopy techniques revealed surface segregation of Pd as a thin shell over the PdCu core. The ordered nanoparticles exhibit superior activity and durability for the oxygen reduction reaction in comparison with PdCu A1 nanoparticles. This seed-mediated co-reduction strategy produced monodisperse nanoparticles ideally suited for structure-activity studies. Moreover, the study of their growth mechanism provides insights into the size dependence of disorder-order transformations of bimetallic alloys at the nanoscale, which should enable the design of synthetic strategies toward other intermetallic systems. C1 [Wang, Chenyu; Chen, Dennis P.; Skrabalak, Sara E.] Indiana Univ, Dept Chem, 800 East Kirkwood Ave, Bloomington, IN 47405 USA. [Sang, Xiahan; Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Skrabalak, SE (reprint author), Indiana Univ, Dept Chem, 800 East Kirkwood Ave, Bloomington, IN 47405 USA. EM sskrabal@indiana.edu RI Sang, Xiahan/R-8229-2016 OI Sang, Xiahan/0000-0002-2861-6814 FU U.S. Department of Energy (Basic Energy Sciences) [DE-SC0010489]; Camille Dreyfus Teacher Scholar Program; IU Siedle Materials Fellowship FX We acknowledge financial support from the U.S. Department of Energy (Basic Energy Sciences) through an Early Career Award Grant (DE-SC0010489). Access to the X-ray powder diffractometer and the XPS was provided by NSF CRIF CHE-1048613 and DMR MRI-1126394, respectively. Aberration corrected STEM-EELS was conducted as part of a user proposal at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS), a U.S. Department of Energy Office of Science User Facility (X.S. and R.R.U.). S. Skrabalak is also supported through the Camille Dreyfus Teacher Scholar Program. D. P. Chen is thankful for the financial support provided by the IU Siedle Materials Fellowship. C. Wang would like to thank Dr. Y. Lozovyy for assistance on the XPS and for the fruitful discussions. NR 42 TC 5 Z9 5 U1 43 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2016 VL 10 IS 6 BP 6345 EP 6353 DI 10.1021/acsnano.6b02669 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DQ1PU UT WOS:000378973700085 PM 27214313 ER PT J AU Saha, SK Culpepper, ML AF Saha, Sourabh K. Culpepper, Martin L. TI Deterministic Switching of Hierarchy during Wrinkling in Quasi-Planar Bilayers SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID THIN-FILMS; ELASTOMERIC POLYMER; NANOCHANNELS; PATTERNS; SURFACE C1 [Saha, Sourabh K.; Culpepper, Martin L.] MIT, Dept Mech Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Saha, Sourabh K.] Lawrence Livermore Natl Lab, Mat Engn Div, 7000 East Ave,POB 808,L-782, Livermore, CA 94551 USA. RP Saha, SK (reprint author), MIT, Dept Mech Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Saha, SK (reprint author), Lawrence Livermore Natl Lab, Mat Engn Div, 7000 East Ave,POB 808,L-782, Livermore, CA 94551 USA. EM sourabh@alum.mit.edu FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; [LLNL-JRNL-680043] FX This work was partly performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. S.K.S. utilized the Postdoctoral funding for independent research available at LLNL to write this manuscript (#LLNL-JRNL-680043). We thank Elisabeth L. Shaw at CMSE, MIT for technical assistance with AFM imaging. Conflict of interest: Patent applications related to this work have been filed at the USPTO that are co-invented by S.K.S. and M.L.C. and assigned to S.K.S. (Supporting Information is available online from Wiley Online Library or from the author). NR 30 TC 1 Z9 1 U1 5 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1438-1656 EI 1527-2648 J9 ADV ENG MATER JI Adv. Eng. Mater. PD JUN PY 2016 VL 18 IS 6 BP 938 EP 943 DI 10.1002/adem.201600048 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA DP7MU UT WOS:000378684200007 ER PT J AU Thurmond, K Loparo, Z Partridge, W Vasu, SS AF Thurmond, Kyle Loparo, Zachary Partridge, William Vasu, Subith S. TI A Light-Emitting Diode- (LED-) Based Absorption Sensor for Simultaneous Detection of Carbon Monoxide and Carbon Dioxide SO APPLIED SPECTROSCOPY LA English DT Article DE Absorption spectroscopy; carbon monoxide; CO; carbon dioxide; CO2; light emitting diodes; LEDs; mid-infrared; MIR ID TEMPERATURE SENSOR; LASER-ABSORPTION; MU-M; CO AB A sensor was developed for simultaneous measurements of carbon monoxide (CO) and carbon dioxide (CO2) fluctuations in internal combustion engine exhaust gases. This sensor utilizes low-cost and compact light-emitting diodes (LEDs) that emit in the 3-5 mu m wavelength range. An affordable, fast response sensor that can measure these gases has a broad application that can lead to more efficient, fuel-flexible engines and regulation of harmful emissions. Light emission from LEDs is spectrally broader and more spatially divergent when compared to that of lasers, which presented many design challenges. Optical design studies addressed some of the non-ideal characteristics of the LED emissions. Measurements of CO and CO2 were conducted using their fundamental absorption bands centered at 4.7 mu m and 4.3 mu m, respectively, while a 3.6 mu m reference LED was used to account for scattering losses (due to soot, window deposits, etc.) common to the three measurement LEDs. Instrument validation and calibration was performed using a laboratory flow cell and bottled-gas mixtures. The sensor was able to detect CO2 and CO concentration changes as small as 30ppm and 400ppm, respectively. Because of the many control and monitor species with infra-red absorption features, which can be measured using the strategy described, this work demonstrates proof of concept for a wider range of fast (250Hz) and low-cost sensors for gas measurement and process monitoring. C1 [Thurmond, Kyle; Loparo, Zachary; Vasu, Subith S.] Univ Cent Florida, Ctr Adv Turbomachinery & Energy Res, Mech & Aerosp Engn, Orlando, FL 32816 USA. [Partridge, William] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN USA. [Vasu, Subith S.] Univ Cent Florida, Florida Space Inst, Orlando, FL 32816 USA. RP Vasu, SS (reprint author), Univ Cent Florida, 4000 Cent Florida Blvd,Bldg 40-307, Orlando, FL 32816 USA. EM subith@ucf.edu OI Vasu, Subith/0000-0002-4164-3163 FU Federal Aviation Administration Center of Excellence for Commercial Space Transportation (FAA COE-CST); UCF Mechanical and Aerospace Department; UCF Office of Research and Commercialization; NSF; DOE SULI; US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office FX This work was supported by the Federal Aviation Administration Center of Excellence for Commercial Space Transportation (FAA COE-CST), the UCF Mechanical and Aerospace Department, the UCF Office of Research and Commercialization, NSF, DOE SULI, and the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. NR 9 TC 0 Z9 0 U1 9 U2 18 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 0003-7028 EI 1943-3530 J9 APPL SPECTROSC JI Appl. Spectrosc. PD JUN PY 2016 VL 70 IS 6 BP 962 EP 971 DI 10.1177/0003702816641261 PG 10 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA DP3RB UT WOS:000378411500003 PM 27091903 ER PT J AU Beatty, WS Beasley, JC Olson, ZH Rhodes, OE AF Beatty, William S. Beasley, James C. Olson, Zachary H. Rhodes, Olin E., Jr. TI Influence of habitat attributes on density of Virginia opossums (Didelphis virginiana) in agricultural ecosystems SO CANADIAN JOURNAL OF ZOOLOGY LA English DT Article DE agriculture; abundance; density; Didelphis virginiana; fragmentation; generalized linear mixed models; Indiana; Poisson distribution; robust design; Virginia opossum ID HIGHLY FRAGMENTED LANDSCAPE; CAPTURE-RECAPTURE DATA; HOME-RANGE SIZE; MARKED ANIMALS; GENERALIST MESOPREDATOR; GENETIC-STRUCTURE; ROBUST DESIGN; MATING SYSTEM; SURVIVAL; ABUNDANCE AB In agriculturally fragmented ecosystems, mesopredators play dominant roles in food webs through scavenging. We examined the influence of habitat attributes associated with carrion on local Virginia opossum (Didelphis virginiana Kerr, 1792) density in an agricultural landscape. We conducted opossum mark-recapture in 25 forest patches from 2005 to 2010, which represented the most extensive sampling of opossums to date. We analyzed mark-recapture data with a closed robust design and evaluated effects of landscape features linked to carrion on opossum density and female opossum density with generalized linear mixed-effects models. We included landscape-level (1481.6 m buffer) and patch-level covariates linked to carrion in addition to other covariates associated with high opossum densities. We developed a set of 19 candidate models and examined model fit with Akaike's information criterion. The top model for opossum density included the density of adjoining roads, whereas the top model for female density included patch size, although the statistical null was a competing model in both cases. The long-distance dispersal capability and generalist diet of the opossum likely precluded us from detecting a definitive relationship between covariates and opossum density. The scale of effect for opossum density in agriculturally fragmented landscapes is likely larger than the spatial scales examined here. C1 [Beatty, William S.; Beasley, James C.; Olson, Zachary H.; Rhodes, Olin E., Jr.] Purdue Univ, Dept Forestry & Nat Resources, 715 West State St, W Lafayette, IN 47907 USA. [Beatty, William S.] US Geol Survey, Alaska Sci Ctr, 4210 Univ Dr, Anchorage, AK 99508 USA. [Beasley, James C.; Rhodes, Olin E., Jr.] Univ Georgia, Savannah River Ecol Lab, DB Warnell Sch Forestry & Nat Resources, PO Drawer E, Aiken, SC 29802 USA. [Olson, Zachary H.] Univ New England, Dept Psychol, 11 Hills Beach Rd, Biddeford, ME 04005 USA. RP Beatty, WS (reprint author), Purdue Univ, Dept Forestry & Nat Resources, 715 West State St, W Lafayette, IN 47907 USA.; Beatty, WS (reprint author), US Geol Survey, Alaska Sci Ctr, 4210 Univ Dr, Anchorage, AK 99508 USA. EM w_beatty@hotmail.com OI Beatty, William/0000-0003-0013-3113 NR 83 TC 0 Z9 0 U1 13 U2 16 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0008-4301 EI 1480-3283 J9 CAN J ZOOL JI Can. J. Zool. PD JUN PY 2016 VL 94 IS 6 BP 411 EP 419 DI 10.1139/cjz-2016-0012 PG 9 WC Zoology SC Zoology GA DP4BB UT WOS:000378439300004 ER PT J AU Zhang, YX Zhao, L Gu, GD Zhou, XJ AF Zhang, Yu-Xiao Zhao, Lin Gu, Gen-Da Zhou, Xing-Jiang TI A Reproducible Approach of Preparing High-Quality Overdoped Bi2Sr2CaCu2O8+delta Single Crystals by Oxygen Annealing and Quenching Method SO CHINESE PHYSICS LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; HIGH-T-C; UNDERDOPED BI2SR2CACU2O8+DELTA; DOPING DEPENDENCE; GAP ANISOTROPY; PHASE-DIAGRAM; NORMAL-STATE; SPECTROSCOPY; COMPETITION; DISPERSION AB We report a reproducible approach in preparing high-quality overdoped Bi2Sr2CaCu2O8+delta (Bi2212) single crystals by annealing Bi2212 crystals in high oxygen pressure followed by a fast quenching. In this way, high-quality overdoped and heavily overdoped Bi2212 single crystals are obtained by controlling the annealing oxygen pressure. We find that, beyond a limit of oxygen pressure that can achieve most heavily overdoped Bi2212 with a T-c similar to 63 K, the annealed Bi2212 begins to decompose. This accounts for the existence of the hole-doping limit and thus the T-c limit in the heavily overdoped region of Bi2212 by the oxygen annealing process. These results provide a reliable way in preparing high-quality overdoped and heavily overdoped Bi2212 crystals that are important for studies of the physical properties, electronic structure and superconductivity mechanism of the cuprate superconductors. C1 [Zhang, Yu-Xiao; Zhao, Lin; Zhou, Xing-Jiang] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter 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. [Zhou, Xing-Jiang] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. RP Zhao, L; Zhou, XJ (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Natl Lab Superconduct, Beijing 100190, Peoples R China.; Zhou, XJ (reprint author), Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. EM lzhao@iphy.ac.cn; XJZhou@aphy.iphy.ac.cn FU National Natural Science Foundation of China [11190022, 11334010, 11534007]; National Basic Research Program of China [2015CB921000]; Chinese Academy of Sciences [XDB07020300] FX Supported by the National Natural Science Foundation of China under Grant Nos 11190022, 11334010 and 11534007, the National Basic Research Program of China under Grant No 2015CB921000, and the Strategic Priority Research Program (B) of Chinese Academy of Sciences under Grant No XDB07020300. NR 40 TC 0 Z9 0 U1 4 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0256-307X EI 1741-3540 J9 CHINESE PHYS LETT JI Chin. Phys. Lett. PD JUN PY 2016 VL 33 IS 6 AR 067403 DI 10.1088/0256-307X/33/6/067403 PG 5 WC Physics, Multidisciplinary SC Physics GA DP8WO UT WOS:000378778800033 ER PT J AU Bond-Lamberty, B Epron, D Harden, J Harmon, ME Hoffman, F Kumar, J McGuire, AD Vargas, R AF Bond-Lamberty, Ben Epron, Daniel Harden, Jennifer Harmon, Mark E. Hoffman, Forrest Kumar, Jitendra McGuire, Anthony David Vargas, Rodrigo TI Estimating heterotrophic respiration at large scales: challenges, approaches, and next steps SO ECOSPHERE LA English DT Article DE carbon cycle; heterotrophic respiration; modeling ID PLANT FUNCTIONAL TYPES; SOIL ORGANIC-MATTER; CARBON USE EFFICIENCY; GLOBAL DATABASE; INTERANNUAL VARIABILITY; AUTOTROPHIC COMPONENTS; TERRESTRIAL ECOSYSTEMS; TEMPERATURE; CLIMATE; SENSITIVITY AB Heterotrophic respiration (HR), the aerobic and anaerobic processes mineralizing organic matter, is a key carbon flux but one impossible to measure at scales significantly larger than small experimental plots. This impedes our ability to understand carbon and nutrient cycles, benchmark models, or reliably upscale point measurements. Given that a new generation of highly mechanistic, genomic-specific global models is not imminent, we suggest that a useful step to improve this situation would be the development of "Decomposition Functional Types" (DFTs). Analogous to plant functional types (PFTs), DFTs would abstract and capture important differences in HR metabolism and flux dynamics, allowing modelers and experimentalists to efficiently group and vary these characteristics across space and time. We argue that DFTs should be initially informed by top-down expert opinion, but ultimately developed using bottom-up, data-driven analyses, and provide specific examples of potential dependent and independent variables that could be used. We present an example clustering analysis to show how annual HR can be broken into distinct groups associated with global variability in biotic and abiotic factors, and demonstrate that these groups are distinct from (but complementary to) already-existing PFTs. A similar analysis incorporating observational data could form the basis for future DFTs. Finally, we suggest next steps and critical priorities: collection and synthesis of existing data; more in-depth analyses combining open data with rigorous testing of analytical results; using point measurements and realistic forcing variables to constrain process-based models; and planning by the global modeling community for decoupling decomposition from fixed site data. These are all critical steps to build a foundation for DFTs in global models, thus providing the ecological and climate change communities with robust, scalable estimates of HR. C1 [Bond-Lamberty, Ben] Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court, College Pk, MD 20740 USA. [Epron, Daniel] Univ Lorraine, UMR INRA UL Ecol & Ecophysiol Forestieres 1137, F-54500 Vandoeuvre Les Nancy, France. [Harden, Jennifer] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA. [Harmon, Mark E.] Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA. [Hoffman, Forrest; Kumar, Jitendra] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [McGuire, Anthony David] Univ Alaska Fairbanks, Alaska Cooperat Fish & Wildlife Res Unit, US Geol Survey, Fairbanks, AK 99775 USA. [Vargas, Rodrigo] Univ Delaware, Dept Plant & Soil Sci, Newark, DE 19716 USA. RP Bond-Lamberty, B (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court, College Pk, MD 20740 USA. EM bondlamberty@pnnl.gov RI Bond-Lamberty, Ben/C-6058-2008; Vargas, Rodrigo/C-4720-2008; Hoffman, Forrest/B-8667-2012; OI Bond-Lamberty, Ben/0000-0001-9525-4633; Vargas, Rodrigo/0000-0001-6829-5333; Hoffman, Forrest/0000-0001-5802-4134; Kumar, Jitendra/0000-0002-0159-0546 FU National Science Foundation's Macrosystem Biology Program [DEB-1137178]; Office of Science of the U.S. Department of Energy as part of the Terrestrial Ecosystem Sciences Program; DOE [DE-AC05-76RL01830]; U.S. Department of Agriculture [2014-67003-22070]; U.S. Geological Survey; Biogeochemistry-Climate Feedbacks (BGC Feedbacks) Scientific Focus Area; Next Generation Ecosystem Experiments Tropics (NGEE Tropics) Project; Climate and Environmental Sciences Division in the Biological and Environmental Research Program of U.S. Department of Energy's Office of Science; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by funding from the National Science Foundation's Macrosystem Biology Program (DEB-1137178) to MH, BBL, and RV. We are grateful to the participants in the workshops sponsored by this grant, many of whom contributed generously to the development of the ideas here. We thank Becky Fasth for logistical help and intellectual feedback. BBL was supported by Office of Science of the U.S. Department of Energy as part of the Terrestrial Ecosystem Sciences Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. RV and ADM acknowledge support from the U.S. Department of Agriculture (2014-67003-22070) and U.S. Geological Survey, respectively. FMH and JK were supported by the Biogeochemistry-Climate Feedbacks (BGC Feedbacks) Scientific Focus Area and the Next Generation Ecosystem Experiments Tropics (NGEE Tropics) Project, which are sponsored by the Climate and Environmental Sciences Division in the Biological and Environmental Research Program of U.S. Department of Energy's Office of Science. FMH and JK's contributions were authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 72 TC 0 Z9 0 U1 20 U2 32 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2150-8925 J9 ECOSPHERE JI Ecosphere PD JUN PY 2016 VL 7 IS 6 AR e01380 DI 10.1002/ecs2.1380 PG 13 WC Ecology SC Environmental Sciences & Ecology GA DP5GA UT WOS:000378523100033 ER PT J AU Gough, CM Curtis, PS Hardiman, BS Scheuermann, CM Bond-Lamberty, B AF Gough, Christopher M. Curtis, Peter S. Hardiman, Brady S. Scheuermann, Cynthia M. Bond-Lamberty, Ben TI Disturbance, complexity, and succession of net ecosystem production in North America's temperate deciduous forests SO ECOSPHERE LA English DT Article DE biodiversity; carbon storage; carbon uptake; complexity; disturbance; ecosystem development; forest age; net ecosystem production; net primary production; structure-function; succession; temperate deciduous forests ID CONTERMINOUS UNITED-STATES; OLD-GROWTH FORESTS; CARBON-CYCLE; EXPERIMENTAL HURRICANE; ABOVEGROUND BIOMASS; SPECIES RICHNESS; CANOPY STRUCTURE; BOREAL FORESTS; USE EFFICIENCY; CLIMATE-CHANGE AB Century-old forests in the U.S. upper Midwest and Northeast power much of North America's terrestrial carbon (C) sink, but these forests' production and C sequestration capacity are expected to soon decline as fast-growing early successional species die and are replaced by slower growing late successional species. But will this really happen? Here we marshal empirical data and ecological theory to argue that substantial declines in net ecosystem production (NEP) owing to reduced forest growth, or net primary production (NPP), are not imminent in regrown temperate deciduous forests over the next several decades. Forest age and production data for temperate deciduous forests, synthesized from published literature, suggest slight declines in NEP and increasing or stable NPP during middle successional stages. We revisit long-held hypotheses by EP Odum and others that suggest low-severity, high-frequency disturbances occurring in the region's aging forests will, against intuition, maintain NEP at higher-than-expected rates by increasing ecosystem complexity, sustaining or enhancing NPP to a level that largely offsets rising C losses as heterotrophic respiration increases. This theoretical model is also supported by biological evidence and observations from the Forest Accelerated Succession Experiment in Michigan, USA. Ecosystems that experience high-severity disturbances that simplify ecosystem complexity can exhibit substantial declines in production during middle stages of succession. However, observations from these ecosystems have exerted a disproportionate influence on assumptions regarding the trajectory and magnitude of age-related declines in forest production. We conclude that there is a wide ecological space for forests to maintain NPP and, in doing so, lessens the declines in NEP, with significant implications for the future of the North American carbon sink. Our intellectual frameworks for understanding forest C cycle dynamics and resilience need to catch up to our more complex and nuanced understanding of ecological succession. C1 [Gough, Christopher M.; Scheuermann, Cynthia M.] Virginia Commonwealth Univ, Dept Biol, Richmond, VA 23284 USA. [Curtis, Peter S.] Ohio State Univ, Dept Evolut Ecol & Organismal Biol, Columbus, OH 43210 USA. [Hardiman, Brady S.] Purdue Univ, Forestry & Nat Resources & Environm & Ecol Engn, W Lafayette, IN 47907 USA. [Bond-Lamberty, Ben] Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20740 USA. RP Gough, CM (reprint author), Virginia Commonwealth Univ, Dept Biol, Richmond, VA 23284 USA. EM cmgough@vcu.edu RI Bond-Lamberty, Ben/C-6058-2008 OI Bond-Lamberty, Ben/0000-0001-9525-4633 FU US Department of Energy (DOE), Office of Science; DOE [DE-SC0006708]; Office of Science of the US DOE, as part of the Terrestrial Ecosystem Sciences Program FX CMG, PSC, BSH, and CMS received support from an Ameriflux core site award provided by the US Department of Energy (DOE), Office of Science, and DOE Award No. DE-SC0006708. BB-L was supported by the Office of Science of the US DOE, as part of the Terrestrial Ecosystem Sciences Program. We acknowledge the University of Michigan Biological Station for infrastructure and logistics support. NR 86 TC 2 Z9 2 U1 37 U2 52 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2150-8925 J9 ECOSPHERE JI Ecosphere PD JUN PY 2016 VL 7 IS 6 AR e01375 DI 10.1002/ecs2.1375 PG 15 WC Ecology SC Environmental Sciences & Ecology GA DP5GA UT WOS:000378523100031 ER PT J AU Ruan, LL Bhardwaj, AK Hamilton, SK Robertson, GP AF Ruan, Leilei Bhardwaj, Ajay K. Hamilton, Stephen K. Robertson, G. Philip TI Nitrogen fertilization challenges the climate benefit of cellulosic biofuels SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE nitrous oxide (N2O); nitrate leaching; switchgrass; methane (CH4) oxidation; nitrogen fertilizer; life cycle analysis; IPCC emission factor ID SWITCHGRASS PANICUM-VIRGATUM; GREENHOUSE-GAS EMISSIONS; BIOMASS PRODUCTION; BIOENERGY PRODUCTION; UNITED-STATES; MIDWEST USA; NET ENERGY; YIELD; SOIL; AGRICULTURE AB Cellulosic biofuels are intended to improve future energy and climate security. Nitrogen (N) fertilizer is commonly recommended to stimulate yields but can increase losses of the greenhouse gas nitrous oxide (N2O) and other forms of reactive N, including nitrate. We measured soil N2O emissions and nitrate leaching along a switchgrass (Panicum virgatum) high resolution N-fertilizer gradient for three years post-establishment. Results revealed an exponential increase in annual N2O emissions that each year became stronger (R-2 > 0.9, P < 0.001) and deviated further from the fixed percentage assumed for IPCC Tier 1 emission factors. Concomitantly, switchgrass yields became less responsive each year to N fertilizer. Nitrate leaching (and calculated indirect N2O emissions) also increased exponentially in response to N inputs, but neither methane (CH4) uptake nor soil organic carbon changed detectably. Overall, N fertilizer inputs at rates greater than crop need curtailed the climate benefit of ethanol production almost two-fold, from a maximum mitigation capacity of -5.71 +/- 0.22 Mg CO(2)e ha(-1) yr(-1) in switchgrass fertilized at 56 kg N ha(-1) to only -2.97 +/- 0.18 MgCO(2)e ha(-1) yr(-1) in switchgrass fertilized at 196 kg N ha(-1). Minimizing N fertilizer use will be an important strategy for fully realizing the climate benefits of cellulosic biofuel production. C1 [Ruan, Leilei; Hamilton, Stephen K.; Robertson, G. Philip] Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Ruan, Leilei; Bhardwaj, Ajay K.; Hamilton, Stephen K.; Robertson, G. Philip] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Ruan, Leilei; Robertson, G. Philip] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. [Hamilton, Stephen K.] Michigan State Univ, Dept Integrat Biol, E Lansing, MI 48824 USA. [Bhardwaj, Ajay K.] Indian Council Agr Res, Cent Soil Salin Res Inst, Karnal 132001, Haryana, India. RP Robertson, GP (reprint author), Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA.; Robertson, GP (reprint author), Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.; Robertson, GP (reprint author), Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. EM robert30@msu.edu OI Robertson, G/0000-0001-9771-9895 FU US DOE Office of Science [DE-FCO2-07ER64494]; Office of Energy Efficiency and Renewable Energy [DE-ACO5-76RL01830]; National Science Foundation LTER Program [DEB 1027253]; Michigan State University AgBioResearch FX We thank M Barrows, S Bohm, P Jasrotia, K Kahmark, C McMinn, E Robertson, J Simmons, S Sippel, S VanderWulp and many others for assistance in the field and lab. We also thank A N Kravchenko, A J M Smucker, and I Gelfand for helpful comments on an earlier version of the manuscript and J Schuette and C Kremer for help with figures. Financial support was provided by the US DOE Office of Science (DE-FCO2-07ER64494) and Office of Energy Efficiency and Renewable Energy (DE-ACO5-76RL01830), the National Science Foundation LTER Program (DEB 1027253), and Michigan State University AgBioResearch. NR 46 TC 2 Z9 2 U1 14 U2 30 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUN PY 2016 VL 11 IS 6 AR 064007 DI 10.1088/1748-9326/11/6/064007 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DP9JJ UT WOS:000378812200008 ER PT J AU Sheppard, CJR Gopal, AR Harris, A Jacobson, A AF Sheppard, Colin J. R. Gopal, Anand R. Harris, Andrew Jacobson, Arne TI Cost-effective electric vehicle charging infrastructure siting for Delhi SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE electric vehicle charging infrastructure; electric vehicles; sustainable transportation; alternative fuels; agent-based modeling India ID PROTOCOL AB Plug-in electric vehicles (PEVs) represent a substantial opportunity for governments to reduce emissions of both air pollutants and greenhouse gases. The Government of India has set a goal of deploying 6-7 million hybrid and PEVs on Indian roads by the year 2020. The uptake of PEVs will depend on, among other factors like high cost, how effectively range anxiety is mitigated through the deployment of adequate electric vehicle charging stations (EVCS) throughout a region. The Indian Government therefore views EVCS deployment as a central part of their electric mobility mission. The plug-in electric vehicle infrastructure (PEVI) model-an agent-based simulation modeling platform -was used to explore the cost-effective siting of EVCS throughout the National Capital Territory (NCT) of Delhi, India. At 1% penetration in the passenger car fleet, or similar to 10 000 battery electric vehicles (BEVs), charging services can be provided to drivers for an investment of $4.4 M(or $440/BEV) by siting 2764 chargers throughout the NCT of Delhi with an emphasis on the more densely populated and frequented regions of the city. The majority of chargers sited by this analysis were low power, Level 1 chargers, which have the added benefit of being simpler to deploy than higher power alternatives. The amount of public infrastructure needed depends on the access that drivers have to EVCS at home, with 83% more charging capacity required to provide the same level of service to a population of drivers without home chargers compared to a scenario with home chargers. Results also depend on the battery capacity of the BEVs adopted, with approximately 60% more charging capacity needed to achieve the same level of service when vehicles are assumed to have 57 km versus 96 km of range. C1 [Sheppard, Colin J. R.; Gopal, Anand R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd Mailstop 90R2121, Berkeley, CA 94720 USA. [Sheppard, Colin J. R.] Univ Calif Berkeley, Transportat Engn, McLaughlin Hall, Berkeley, CA 94720 USA. [Sheppard, Colin J. R.; Harris, Andrew; Jacobson, Arne] Humboldt State Univ, Schatz Energy Res Ctr, 1 Harpst St, Arcata, CA 95521 USA. RP Sheppard, CJR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd Mailstop 90R2121, Berkeley, CA 94720 USA.; Sheppard, CJR (reprint author), Univ Calif Berkeley, Transportat Engn, McLaughlin Hall, Berkeley, CA 94720 USA.; Sheppard, CJR (reprint author), Humboldt State Univ, Schatz Energy Res Ctr, 1 Harpst St, Arcata, CA 95521 USA. EM colin.sheppard@lbl.gov FU Office of International Affairs, US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary, Office of International Affairs, US Department of Energy under Contract No. DE-AC02-05CH11231. The authors would like to thank Additional Secretary Ambuj Sharma of the Department of Heavy Industries in advising the development of the work. The authors would like to thank RITES India Ltd and the Delhi Department of Transportation in providing critical data needed for the work. The authors would like to thank the following people for useful input and feedback: Samveg Saxena (Lawrence Berkeley National Laboratory), Maggie Witt and Matt Criden (University of California Berkeley). NR 20 TC 1 Z9 1 U1 6 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUN PY 2016 VL 11 IS 6 AR 064010 DI 10.1088/1748-9326/11/6/064010 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DP9JJ UT WOS:000378812200011 ER PT J AU Reinig, RR Mukherjee, D Weinstein, ZB Xie, WW Albright, T Baird, B Gray, TS Ellern, A Miller, GJ Winter, AH Bud'ko, SL Sadow, AD AF Reinig, Regina R. Mukherjee, Debabrata Weinstein, Zachary B. Xie, Weiwei Albright, Toshia Baird, Benjamin Gray, Tristan S. Ellern, Arkady Miller, Gordon J. Winter, Arthur H. Bud'ko, Sergey L. Sadow, Aaron D. TI yy Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Scorpionates; Oxazolines; Cobalt; Structure elucidation; Oxidation ID TETRAHEDRAL COBALT(II) COMPLEXES; HIGH-SPIN COBALT(II); COORDINATION CHEMISTRY; ALKANE HYDROXYLATION; CRYSTAL-STRUCTURE; ZINC HYDRIDE; LIGAND; SPECTRA; ALKYL; NICKEL AB The reaction of CoCl2 center dot THF and thallium tris(4,4-dimethyl-2-oxazolinyl)phenylborate (TlTo(M)) in etrahydrofuran (THF) provides To(M)CoCl (1) in 95% yield; however, appropriate solvents and starting materials are required to favor 1 over two other readily formed side-products, (To(M))(2)Co (2) and {HTo(M)}CoCl2 (3). ESR, NMR, FTIR, and UV/Vis spectroscopies were used to distinguish these cobalt(II) products and probe their electronic and structural properties. Even after the structures indicated by these methods were confirmed by X-ray crystallography, the spectroscopic identification of trace contaminants in the material was challenging. The recognition of possible contaminants in the synthesis of To(M)CoCl in combination with the paramagnetic nature of these complexes provided impetus for the utilization of X-ray powder diffraction to measure the purity of the To(M)CoCl bulk sample. The X-ray powder diffraction results provide support for the bulk-phase purity of To(M)CoCl in preparations that avoid 2 and 3. Thus, 1 is a precursor for new [tris(oxazolinyl)borato]cobalt chemistry, as exemplified by its reactions with KOtBu and NaOAc to give To(M)CoOtBu (4) and To(M)CoOAc (5), respectively. Compound 5 is a catalyst for the oxidation of cyclohexane with meta-chloroperoxybenzoic acid (mCPBA), and the rate constants and selectivity for cyclohexanol versus cyclohexanone and epsilon-caprolactone were assessed. C1 [Reinig, Regina R.; Mukherjee, Debabrata; Weinstein, Zachary B.; Xie, Weiwei; Albright, Toshia; Baird, Benjamin; Gray, Tristan S.; Ellern, Arkady; Miller, Gordon J.; Winter, Arthur H.; Sadow, Aaron D.] Iowa State Univ, Dept Chem, 1605 Gilman Hall, Ames, IA 50011 USA. [Reinig, Regina R.; Weinstein, Zachary B.; Xie, Weiwei; Miller, Gordon J.; Bud'ko, Sergey L.; Sadow, Aaron D.] US DOE, Ames Lab, Ames, IA 50011 USA. RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, 1605 Gilman Hall, Ames, IA 50011 USA.; Sadow, AD (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM sadow@iastate.edu FU U.S. Department of Energy through the Ames Laboratory [DE-AC02-07CH11358]; Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Division of Materials Science; Critical Materials Institute; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office FX This research was supported by the U.S. Department of Energy through the Ames Laboratory (Contract No. DE-AC02-07CH11358). Synthesis and catalysis work were supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The powder XRD and SQUID measurements were supported by the Division of Materials Science. The Chemspeed SwingXL Automated Robotic Catalysis Platform was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. NR 49 TC 1 Z9 1 U1 7 U2 10 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD JUN PY 2016 IS 15-16 SI SI BP 2486 EP 2494 DI 10.1002/ejic.201600237 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DP8CE UT WOS:000378724700026 ER PT J AU Beri, D Olson, DG Holwerda, EK Lynd, LR AF Beri, Dhananjay Olson, Daniel G. Holwerda, Evert K. Lynd, Lee R. TI Nicotinamide cofactor ratios in engineered strains of Clostridium thermocellum and Thermoanaerobacterium saccharolyticum SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE nicotinamide cofactors; NADH; NADPH; cycling assay; metabolite extraction; acid/base extraction ID ENTEROCOCCUS-FAECALIS NCTC-775; PSEUDOMONAS-PUTIDA KT2440; ESCHERICHIA-COLI; ETHANOL-PRODUCTION; INTRACELLULAR METABOLITES; PYRIDINE-NUCLEOTIDES; CORYNEBACTERIUM-GLUTAMICUM; SACCHAROMYCES-CEREVISIAE; KLEBSIELLA-PNEUMONIAE; ADENINE-DINUCLEOTIDE AB Clostridium thermocellum and Thermoanaerobacterium saccharolyticum are bacteria under investigation for production of biofuels from plant biomass. Thermoanaerobacterium saccharolyticum has been engineered to produce ethanol at high yield (>90% of theoretical) and titer (>70 g/l). Efforts to engineer C. thermocellum have not, to date, been as successful, and efforts are underway to transfer the ethanol production pathway from T. saccharolyticum to C. thermocellum. One potential challenge in transferring metabolic pathways is the possibility of incompatible levels of nicotinamide cofactors. These cofactors (NAD+, NADH, NADP+ and NADPH) and their oxidation state are important in the context of microbial redox metabolism. In this study we directly measured the concentrations and reduced oxidized ratios of these cofactors in a number of strains of C. thermocellum and T. saccharolyticum by using acid/base extraction and enzymatic assays. We found that cofactor ratios are maintained in a fairly narrow range, regardless of the metabolic network modifications considered. We have found that the ratios are similar in both organisms, which is a relevant observation in the context of transferring the T. saccharolyticum ethanol production pathway to C. thermocellum. C1 [Beri, Dhananjay; Olson, Daniel G.; Holwerda, Evert K.; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, 14 Engn Dr, Hanover, NH 03755 USA. [Beri, Dhananjay; Olson, Daniel G.; Holwerda, Evert K.; Lynd, Lee R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA. RP Lynd, LR (reprint author), Dartmouth Coll, Thayer Sch Engn, 14 Engn Dr, Hanover, NH 03755 USA. EM Lee.R.Lynd@dartmouth.edu FU BioEnergy Science Center, a United States Department of Energy Bioenergy Research Center - Office of Biological and Environmental Research in the Department of Energy Office of Science; Dartmouth College [4000115284]; US Department of Energy [DE-AC05-00OR22725] FX This work was supported by The BioEnergy Science Center which is a United States Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the Department of Energy Office of Science. The manuscript has been authored by Dartmouth College under sub-contract no. 4000115284 and contract no. DE-AC05-00OR22725 with the US Department of Energy. NR 55 TC 0 Z9 0 U1 5 U2 12 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0378-1097 EI 1574-6968 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD JUN PY 2016 VL 363 IS 11 AR UNSP fnw091 DI 10.1093/femsle/fnw091 PG 11 WC Microbiology SC Microbiology GA DQ2LA UT WOS:000379032600002 ER PT J AU Buscheck, TA Bielicki, JM Edmunds, TA Hao, Y Sun, YW Randolph, JB Saar, MO AF Buscheck, Thomas A. Bielicki, Jeffrey M. Edmunds, Thomas A. Hao, Yue Sun, Yunwei Randolph, Jimmy B. Saar, Martin O. TI Multifluid geo-energy systems: Using geologic CO2 storage for geothermal energy production and grid-scale energy storage in sedimentary basins SO GEOSPHERE LA English DT Article ID CARBON-DIOXIDE; RESERVOIR MANAGEMENT; FLUID; SEQUESTRATION; EQUATION; BRINE; CPG; CONDUCTIVITY; THERMOSIPHON; DISPLACEMENT AB We present an approach that uses the huge fluid and thermal storage capacity of the subsurface, together with geologic carbon dioxide (CO2)-storage, to harvest, store, and dispatch energy from subsurface (geothermal) and surface (solar, nuclear, fossil) thermal resources, as well as excess energy on electric grids. Captured CO2 is injected into saline aquifers to store pressure, generate artesian flow of brine, and provide a supplemental working fluid for efficient heat extraction and power conversion. Concentric rings of injection and production wells create a hydraulic mound to store pressure, CO2, and thermal energy. This energy storage can take excess power from the grid and excess and/or waste thermal energy and dispatch that energy when it is demanded, and thus enable higher penetration of variable renewable energy technologies (e.g., wind and solar). CO2 stored in the subsurface functions as a cushion gas to provide enormous pressure storage capacity and displace large quantities of brine, some of which can be treated for a variety of beneficial uses. Geo-thermal power and energy-storage applications may generate enough revenues to compensate for CO2 capture costs. While our approach can use nitrogen (N-2), in addition to CO2, as a supplemental fluid, and store thermal energy, this study focuses on using CO2 for geothermal energy production and grid-scale energy storage. We conduct a techno-economic assessment to determine the levelized cost of electricity using this approach to generate geothermal power. We present a reservoir pressure management strategy that diverts a small portion of the produced brine for beneficial consumptive use to reduce the pumping cost of fluid recirculation, while reducing the risk of seismicity, caprock fracture, and CO2 leakage. C1 [Buscheck, Thomas A.; Edmunds, Thomas A.; Hao, Yue; Sun, Yunwei] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Phys & Life Sci Directorate, POB 808,L-223, Livermore, CA 94550 USA. [Bielicki, Jeffrey M.] Ohio State Univ, Dept Civil Environm & Geodet Engn, Hitchcock Hall,2070 Neil Ave, Columbus, OH 43210 USA. [Bielicki, Jeffrey M.] Ohio State Univ, John Glenn Coll Publ Affairs, 1810 Coll Rd N, Columbus, OH 43210 USA. [Randolph, Jimmy B.] Univ Minnesota, Dept Earth Sci, 310 Pillsbury Dr SE, Minneapolis, MN 55455 USA. [Saar, Martin O.] ETH, Inst Geophys, Dept Earth Sci, Geothermal Energy & Geofluids Grp, Sonneggstr 5, CH-8092 Zurich, Switzerland. RP Buscheck, TA (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Phys & Life Sci Directorate, POB 808,L-223, Livermore, CA 94550 USA. EM buscheck1@llnl.gov RI Bielicki, Jeffrey/D-4239-2016 OI Bielicki, Jeffrey/0000-0001-8449-9328 FU U.S. Department of Energy (DOE) Geothermal Technologies Office (GTO) [DE-FOA-0000336]; U.S. National Science Foundation (NSF) Sustainable Energy Pathways (SEP) grant [NSF-SEP 1230691]; Gibson endowment; U.S. DOE [DE-AC52-07NA27344] FX This study was funded by the U.S. Department of Energy (DOE) Geothermal Technologies Office (GTO) under grant DE-FOA-0000336, managed by Elisabet Metcalfe and Sean Porse, and U.S. National Science Foundation (NSF) Sustainable Energy Pathways (SEP) grant NSF-SEP 1230691. Martin Saar thanks the Werner Siemens Foundation for their endowment of the Geothermal Energy and Geofluids Chair at ETH Zurich (ETHZ) and the Gibson endowment for their support of the Hydro-geology and Geofluids Research Group at the University of Minnesota (UMN). Any opinions, findings, conclusions, and/or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the NSF, DOE, UMN, ETHZ, the Werner Siemens Foundation, or the Gibson Foundation. This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under DOE contract DE-AC52-07NA27344. NR 49 TC 2 Z9 2 U1 9 U2 11 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 1553-040X J9 GEOSPHERE JI Geosphere PD JUN PY 2016 VL 12 IS 3 BP 678 EP 696 DI 10.1130/GES01207.1 PG 19 WC Geosciences, Multidisciplinary SC Geology GA DP9QI UT WOS:000378831100002 ER PT J AU Kang, DD Rubin, EM Wang, Z AF Kang, Dongwan D. Rubin, Edward M. Wang, Zhong TI Reconstructing single genomes from complex microbial communities SO IT-INFORMATION TECHNOLOGY LA English DT Article DE Computational genomics; computational biology; bioinformatics ID METAGENOMIC ANALYSIS; SEQUENCES; BACTERIA; PERMAFROST; ALGORITHM; DISCOVERY; RICHNESS; COVERAGE; REVEALS; TOOL AB High throughput next generation sequencing technologies have enabled cultivation-independent approaches to study microbial communities in environmental samples. To date much of functional metagenomics has been limited to the gene or pathway level. Recent breakthroughs in metagenome binning have made it feasible to reconstruct high quality, individual microbial genomes from complex communities with thousands of species. In this review we aim to compare several automated metagenome binning software tools for their performance, and provide a practical guide for the metagenomics research community to carry out successful binning analyses. C1 [Wang, Zhong] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Wang, Zhong] Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA. [Kang, Dongwan D.; Rubin, Edward M.] Lawrence Berkeley Natl Lab, Joint Genome Inst, DOE, Walnut Creek, CA 94598 USA. RP Wang, Z (reprint author), Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.; Wang, Z (reprint author), Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA. EM ddkang@lbl.gov; emrubin@lbl.gov; zhongwang@lbl.gov NR 49 TC 0 Z9 0 U1 3 U2 3 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 1611-2776 EI 2196-7032 J9 IT-INF TECHNOL JI IT-Inf. Technol. PD JUN PY 2016 VL 58 IS 3 SI SI BP 133 EP 139 DI 10.1515/itit-2016-0011 PG 7 WC Computer Science, Information Systems SC Computer Science GA DQ0JI UT WOS:000378884800004 ER PT J AU Harilal, SS Yeak, J Brumfield, BE Suter, JD Phillips, MC AF Harilal, S. S. Yeak, J. Brumfield, B. E. Suter, J. D. Phillips, M. C. TI Dynamics of molecular emission features from nanosecond, femtosecond laser and filament ablation plasmas SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article; Proceedings Paper CT Winter Conference on Plasma Spectrochemistry CY JAN 11-16, 2016 CL Tucson, AZ ID INDUCED BREAKDOWN SPECTROSCOPY; MASS SPECTROMETRY; ALO; ALUMINUM; AIR; SIGNATURES; CHEMISTRY; SPECTRA; SOLIDS; SYSTEM AB The evolutionary paths of molecular and nanoparticle formation in laser ablation plumes are not well understood due to the complexity of numerous physical processes that occur simultaneously in a transient laser-produced plasma system. It is well known that the emission features of ions, atoms, molecules and nanoparticles in a laser ablation plume strongly depend on the laser irradiation conditions. We report the temporal emission features of AlO molecules in plasmas generated using a nanosecond laser, a femtosecond laser and filaments generated from a femtosecond laser. Our results show that, at a fixed laser energy, the persistence of AlO is found to be highest and lowest in ns and filament laser plasmas respectively white molecular species are formed at early times for both ultrashort pulse (fs and filament) generated plasmas. Analysis of the AlO emission band features show that the vibrational temperature of NO decays rapidly in filament assisted laser ablation plumes. C1 [Harilal, S. S.; Brumfield, B. E.; Suter, J. D.; Phillips, M. C.] Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. [Yeak, J.] PM & AM Res LLC, Tucson, AZ 85719 USA. RP Harilal, SS (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM hari@pnnl.gov RI Harilal, Sivanandan/B-5438-2014; OI Harilal, Sivanandan/0000-0003-2266-7976; Suter, Jonathan/0000-0001-5709-6988 FU DOE/NNSA Office of Nonproliferation and Verification Research and Development [NA-22]; Laboratory Directed Research and Development (LDRD) Program of PNNL; U.S. Department of Energy [DE-AC05-76RL01830] FX This work was supported by the DOE/NNSA Office of Nonproliferation and Verification Research and Development (NA-22) and by the Laboratory Directed Research and Development (LDRD) Program of PNNL. Pacific Northwest National Laboratory, a multi-program national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. The authors thank to Dr Burt Beardsley for technical help as well as lending Echelle spectrograph. NR 42 TC 3 Z9 3 U1 8 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 EI 1364-5544 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PD JUN PY 2016 VL 31 IS 6 BP 1192 EP 1197 DI 10.1039/c6ja00036c PG 6 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA DP6BW UT WOS:000378582900005 ER PT J AU Moore, EB Grossman, PD AF Moore, Emily B. Grossman, Paul D. TI ConfChem Conference on Interactive Visualizations for Chemistry Teaching and Learning: The Cutting Edge-Educational Innovation, Disability Law, and Civil Rights SO JOURNAL OF CHEMICAL EDUCATION LA English DT Article DE Elementary/Middle School Science; High School/Introductory Chemistry; First-Year Undergraduate/General; Computer-Based Learning; Internet/Web-Based Learning; Multimedia-Based Learning; Minorities in Chemistry; Professional Development AB This communication summarizes one of the invited papers to the Interactive Visualizations for Chemistry Teaching and Learning ACS CHED Committee on Computers in Chemical Education online ConfChem held from May 8 to June 4, 2015. Mr. Paul Grossman, Chief Regional Attorney (retired), Office of Civil Rights, United States Department of Education, succinctly places the development of American disability rights protections and principles within the broader context of race, sex, and national origin civil rights laws in the United States. Starting with the Emancipation Proclamation and ending with the revolutionary changes in education heralded by technology, Mr. Grossman's guide provides a background to understanding the modern evolution of disability law and how it relates to accessibility in education. The resulting discussion included resources for learning about how to make education technology accessible, the use of screen readers for reading chemistry content, how to design interactive simulations with accessibility in mind, and experiences of students with disabilities and their teachers. C1 [Moore, Emily B.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Grossman, Paul D.] US DOE, Off Civil Rights, San Francisco, CA 94105 USA. RP Moore, EB (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM Emily.Moore@colorado.edu FU William and Flora Hewlett Foundation; National Science Foundation (DRL) [1503439] FX This work was supported by the William and Flora Hewlett Foundation, and the National Science Foundation (DRL No. 1503439). NR 3 TC 0 Z9 0 U1 6 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9584 EI 1938-1328 J9 J CHEM EDUC JI J. Chem. Educ. PD JUN PY 2016 VL 93 IS 6 BP 1154 EP 1155 DI 10.1021/acs.jchemed.5b00777 PG 2 WC Chemistry, Multidisciplinary; Education, Scientific Disciplines SC Chemistry; Education & Educational Research GA DP6CQ UT WOS:000378584900035 ER PT J AU Berlin, A Fox, PJ Hooper, D Mohlabeng, G AF Berlin, Asher Fox, Patrick J. Hooper, Dan Mohlabeng, Gopolang TI Mixed dark matter in left-right symmetric models SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; particle physics - cosmology connection ID ELECTROWEAK INTERACTIONS; GALACTIC-CENTER; B-L; PHENOMENOLOGY; VIOLATION AB Motivated by the recently reported diboson and dijet excesses in Run 1 data at ATLAS and CMS, we explore models of mixed dark matter in left-right symmetric theories. In this study, we calculate the relic abundance and the elastic scattering cross section with nuclei for a number of dark matter candidates that appear within the fermionic multiplets of left-right symmetric models. In contrast to the case of pure multiplets, WIMP-nucleon scattering proceeds at tree-level, and hence the projected reach of future direct detection experiments such as LUX-ZEPLIN and XENON1T will cover large regions of parameter space for TeV-scale thermal dark matter. Decays of the heavy charged W' boson to particles in the dark sector can potentially shift the right-handed gauge coupling to larger values when fixed to the rate of the Run 1 excesses, moving towards the theoretically attractive scenario, gR = gL. This region of parameter space may be probed by future collider searches for new Higgs bosons or electroweak fermions. C1 [Berlin, Asher] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Fox, Patrick J.] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Hooper, Dan; Mohlabeng, Gopolang] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Mohlabeng, Gopolang] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. RP Berlin, A (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA. EM berlin@uchicago.edu; pjfox@fnal.gov; dhooper@fnal.gov; gopolang.mohlabeng@ku.edu FU Kavli Institute for Cosmological Physics at the University of Chicago [NSF PHY-1125897]; US Department of Energy [DE-FG02-13ER41958, DE-AC02-07CH11359]; Fermilab Graduate Student Research Program in Theoretical Physics; National Research Foundation of South Africa [88614] FX We would like to thank Anthony DiFranzo for valuable discussions. AB is supported by the Kavli Institute for Cosmological Physics at the University of Chicago through grant NSF PHY-1125897. DH is supported by the US Department of Energy under contract DE-FG02-13ER41958. GM is supported by the Fermilab Graduate Student Research Program in Theoretical Physics and in part by the National Research Foundation of South Africa, Grant No. 88614. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the US Department of Energy. NR 71 TC 1 Z9 1 U1 1 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 JUN PY 2016 IS 6 AR 016 DI 10.1088/1475-7516/2016/06/016 PG 35 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DP8WJ UT WOS:000378778300016 ER PT J AU Bertolini, D Schutz, K Solon, MP Zurek, KM AF Bertolini, Daniele Schutz, Katelin Solon, Mikhail P. Zurek, Kathryn M. TI The trispectrum in the Effective Field Theory of Large Scale Structure SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE cosmic flows; cosmic web; cosmological parameters from LSS; power spectrum ID COSMOLOGICAL PERTURBATION-THEORY; POWER SPECTRUM; UNIVERSE AB We compute the connected four point correlation function (the trispectrum in Fourier space) of cosmological density perturbations at one-loop order in Standard Perturbation Theory (SPT) and the Effective Field Theory of Large Scale Structure (EFT of LSS). This paper is a companion to our earlier work on the non-Gaussian covariance of the matter power spectrum, which corresponds to a particular wavenumber configuration of the trispectrum. In the present calculation, we highlight and clarify some of the subtle aspects of the EFT framework that arise at third order in perturbation theory for general wavenumber configurations of the trispectrum. We consistently incorporate vorticity and non-locality in time into the EFT counterterms and lay out a complete basis of building blocks for the stress tensor. We show predictions for the one-loop SPT trispectrum and the EFT contributions, focusing on configurations which have particular relevance for using LSS to constrain primordial non-Gaussianity. C1 [Bertolini, Daniele] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, South Hall Rd, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Cyclotron Rd, Berkeley, CA 94720 USA. RP Bertolini, D (reprint author), Univ Calif Berkeley, Berkeley Ctr Theoret Phys, South Hall Rd, Berkeley, CA 94720 USA. EM dbertolini@lbl.gov; kschutz@berkeley.edu; mpsolon@lbl.gov; kmzurek@lbl.gov FU Hertz Foundation; National Science Foundation Graduate Research Fellowship; [DE- AC02-05CH11231] FX We thank Simone Ferraro, Adrian Liu, Marcel Schmittfull, UroS Seljak, Martin White, and Hojin Yoo for useful conversations pertaining to this work. KS is supported by a Hertz Foundation Fellowship and by a National Science Foundation Graduate Research Fellowship. DB, MS, and KZ are supported under contract DE- AC02-05CH11231. NR 32 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD JUN PY 2016 IS 6 AR 052 DI 10.1088/1475-7516/2016/06/052 PG 28 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DP8WJ UT WOS:000378778300052 ER PT J AU Harigaya, K Hayakawa, T Kawasaki, M Yamada, M AF Harigaya, Keisuke Hayakawa, Taku Kawasaki, Masahiro Yamada, Masaki TI Cosmology with a heavy Polonyi field SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE cosmology of theories beyond the SM; supersymmetry and cosmology; baryon asymmetry ID SUPERSYMMETRIC STANDARD MODEL; LIGHTEST HIGGS BOSON; DARK-MATTER; RADIATIVE-CORRECTIONS; THERMAL INFLATION; GRAVITY MEDIATION; FLAT DIRECTIONS; CP CONSERVATION; EARLY UNIVERSE; BREAKING AB We consider a cosmologically consistent scenario with a heavy Polonyi field. The. Polonyi field with a mass of O(100) TeV decays before the Big-Bang Nucleosynthesis (BBN) and avoids the severe constraint front the BBN. However, the abundance of the Lightest Supersyntmetric Particle (LSP) produced from the decay often exceeds the observed dark matter density. In our scenario, the dark matter density is obtained by the LSP abundance with an aid of entropy production, and baryon asymmetry is generated by the Affleck-Dine mechanism. We show that the observed baryon-to-dark matter ratio of O(0.1-1) is naturally explained in sequestering models with a QCD axion. C1 [Harigaya, Keisuke] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Harigaya, Keisuke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Hayakawa, Taku; Kawasaki, Masahiro; Yamada, Masaki] Univ Tokyo, Inst Cosm Ray Res, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778582, Japan. [Kawasaki, Masahiro; Yamada, Masaki] Univ Tokyo, Kavli IPMU WPI UTIAS, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778583, Japan. RP Harigaya, K (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Harigaya, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. EM keisukeharigaya@berkeley.edu; taku1215@icrr.u-tokyo.ac.jp; kawasaki@icrr.u-tokyo.ac.jp; yamadam@icrr.u-tokyo.ac.jp FU Ministry of Education, Science, Sports, and Culture (MEXT), Japan [151105889, 25100218]; JSPS [25.8715]; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; Program for the Leading Graduate Schools, MEXT, Japan; Office of Science, Office of High Energy and Nuclear Physics, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [PHY-1316783, PHY-1521446] FX This work is supported by Grant-in-Aid for Scientific research from the Ministry of Education, Science, Sports, and Culture (MEXT), Japan, No. 151105889 (M.K.) and No. 25100218 (M.K.), JSPS Research Fellowships for Young Scientists (No. 25.8715 (M.Y.)), World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan (M.K. and M.Y.), the Program for the Leading Graduate Schools, MEXT, Japan (T.H. and M.Y.), the Director, Office of Science, Office of High Energy and Nuclear Physics, of the U.S. Department of Energy under Contract DE-AC02-05CH11231 (K.H.), by the National Science Foundation under grants PHY-1316783 and PHY-1521446 (K.H.). NR 75 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD JUN PY 2016 IS 6 AR 015 DI 10.1088/1475-7516/2016/06/015 PG 21 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DP8WJ UT WOS:000378778300015 ER PT J AU Mo, KF Dai, ZY Wunschel, DS AF Mo, Kai-For Dai, Ziyu Wunschel, David S. TI Production and Characterization of Desmalonichrome Relative Binding Affinity for Uranyl Ions in Relation to Other Siderophores SO JOURNAL OF NATURAL PRODUCTS LA English DT Article ID COLLISION-INDUCED DISSOCIATION; IONIZATION MASS-SPECTROMETRY; ELECTROSPRAY-IONIZATION; HYDROXAMATE SIDEROPHORES; DESFERRIOXAMINE-B; CRYSTAL-STRUCTURE; CROWN-ETHERS; COMPLEXATION; URANIUM; RECOGNITION AB Siderophores are iron (Fe)-binding secondary metabolites that have been investigated for their uranium binding properties. Previous work has focused on characterizing hydroxamate types of siderophores, such as desferrioxamine B, for their uranyl (UO2)-binding affinity. Carboxylate forms of these metabolites hold potential to be more efficient chelators of UO2, yet they have not been widely studied. Desmalonichrome is a carboxylate siderophore that is not commercially available and so was obtained from the fungus Fusarium oxysporum cultivated under Fe-depleted conditions. The relative affinity for UO2 binding of desmalonichrome was investigated using a competitive analysis of binding affinities between UO2 acetate and different concentrations of Fe(III) chloride using electrospray ionization mass spectrometry. In addition to desmalonichrome, three other siderophores, including two hydroxamates (desferrioxamine B and desferrichrome) and one carboxylate (desferrichrome A), were studied to understand their relative affinities for the UO22+ ion at two pH values. The binding affinities of hydroxamate siderophores to UO22+ ions were observed to decrease with increasing Fe(III)Cl-3 concentration at the lower pH. On the other hand, decreasing the pH has a smaller impact on the binding affinities between carboxylate siderophores and the UO22+ ion. Desmalonichrome in particular was shown to have the greatest relative affinity for UO2 at all pH and Fe(III) concentrations examined. These results suggest that acidic functional groups in the ligands are important for strong chelation with UO2 at lower pH. C1 [Mo, Kai-For; Wunschel, David S.] Pacific NW Natl Lab, Chem & Biol Signature Sci, Richland, WA 99352 USA. [Dai, Ziyu] Pacific NW Natl Lab, Chem & Biol Proc, Richland, WA 99352 USA. RP Wunschel, DS (reprint author), Pacific NW Natl Lab, Chem & Biol Signature Sci, Richland, WA 99352 USA. EM David.Wunschel@pnnl.gov FU U.S. DOE [DE-AC06-76RLO] FX The research described in this paper was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. Battelle Memorial Institute operates Pacific Northwest National Laboratory for the U.S. DOE under Contract DE-AC06-76RLO. NR 38 TC 0 Z9 0 U1 7 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0163-3864 EI 1520-6025 J9 J NAT PROD JI J. Nat. Prod. PD JUN PY 2016 VL 79 IS 6 BP 1492 EP 1499 DI 10.1021/acs.jnatprod.5b00933 PG 8 WC Plant Sciences; Chemistry, Medicinal; Pharmacology & Pharmacy SC Plant Sciences; Pharmacology & Pharmacy GA DP8OT UT WOS:000378758200002 PM 27232848 ER PT J AU Ayaz-Maierhafer, B Laubach, MA Hayward, JP AF Ayaz-Maierhafer, Birsen Laubach, Mitchell A. Hayward, Jason P. TI Sensing of Cf-252 fission gamma rays using same-size glass detectors SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Cherenkov detector; Fission gammas; Gamma rays; Glass detectors ID PBWO4 CHERENKOV RADIATORS; AEROGEL AB Eight same-size Cherenkov detectors were tested through time-of-flight analysis with a tagged Cf-252 source to investigate their relative efficiencies and integrated charge spectra. They were chosen to vary in density, refractive index and optical absorption. The results showed that detection efficiency of glass Cherenkov detectors increases with increasing density and decreasing optical absorption edge. Furthermore, the number of photoelectrons generated on the photocathode peaks at one photoelectron for all selected glass samples. The reported experimental results are useful for estimating the response of non-scintillating glass detectors to low energy gamma rays. C1 [Ayaz-Maierhafer, Birsen; Laubach, Mitchell A.; Hayward, Jason P.] Univ Tennessee, Knoxville, TN 37996 USA. [Hayward, Jason P.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ayaz-Maierhafer, B (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM bayazmai@utk.edu FU Defense Threat Reduction Agency (DTRA) [HDTRA 1-09-1-0052] FX This work was supported by the Defense Threat Reduction Agency (DTRA) under grant HDTRA 1-09-1-0052. NR 29 TC 0 Z9 0 U1 3 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD JUN PY 2016 VL 308 IS 3 BP 919 EP 926 DI 10.1007/s10967-015-4584-5 PG 8 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA DP3QM UT WOS:000378410000018 ER PT J AU Mincher, BJ Precek, M Paulenova, A AF Mincher, Bruce J. Precek, Martin Paulenova, Alena TI The redox chemistry of neptunium in gamma-irradiated aqueous nitric acid in the presence of an organic phase SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Neptunium; Redox chemistry; Radiation chemistry; Solvent extraction ID TBP EXTRACTION SYSTEM; CATALYZED OXIDATION; NITROUS-ACID; KINETICS AB The radiolytic changes in oxidation state for solutions of initially Np(V) and/or Np(VI) were investigated by gamma-irradiation in conjunction with UV/Vis spectroscopy of the aqueous phase. Samples were irradiated in varying concentrations of nitric acid, and with or without the presence of 30 % TBP in dodecane. At short irradiation times Np(V) was oxidized to Np(VI), even in the presence of the organic phase. Upon the radiolytic production of sufficient amounts of nitrous acid, reduction of Np(VI) to Np(V) occurred in both phases. This was accompanied by stripping of the previously extracted Np(VI). Nitric acid concentrations of 6 M mitigated this reduction. C1 [Mincher, Bruce J.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. [Precek, Martin; Paulenova, Alena] Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA. [Precek, Martin] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. RP Mincher, BJ (reprint author), Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. EM bruce.mincher@inl.gov RI Mincher, Bruce/C-7758-2017 FU Idaho National Laboratory LDRD program under DOE Idaho Operations Office [DE-AC07-99ID13727]; European Social Fund; state budget of the Czech Republic [CZ.1.07/2.3.00/30.0057] FX This work was supported by the Idaho National Laboratory LDRD program, under DOE Idaho Operations Office contract DE-AC07-99ID13727. During 2012-2015, M. Precek was supported with post-doc funding by the European Social Fund and the state budget of the Czech Republic (Project No. CZ.1.07/2.3.00/30.0057). NR 15 TC 1 Z9 1 U1 2 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD JUN PY 2016 VL 308 IS 3 BP 1005 EP 1009 DI 10.1007/s10967-015-4530-6 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA DP3QM UT WOS:000378410000027 ER PT J AU Blanchette, CD Knipe, JM Stolaroff, JK DeOtte, JR Oakdale, JS Maiti, A Lenhardt, JM Sirajuddin, S Rosenzweig, AC Baker, SE AF Blanchette, Craig D. Knipe, Jennifer M. Stolaroff, Joshuah K. DeOtte, Joshua R. Oakdale, James S. Maiti, Amitesh Lenhardt, Jeremy M. Sirajuddin, Sarah Rosenzweig, Amy C. Baker, Sarah E. TI Printable enzyme-embedded materials for methane to methanol conversion SO NATURE COMMUNICATIONS LA English DT Article ID METHYLOCOCCUS-CAPSULATUS BATH; POLY(ETHYLENE GLYCOL DIACRYLATE); SWOLLEN HYDROGEL MEMBRANES; MONOOXYGENASE PMMO; GLUCOSE-OXIDASE; GAS PERMEATION; CROSS-LINKING; IMMOBILIZATION; OXIDATION; BACTERIA AB An industrial process for the selective activation of methane under mild conditions would be highly valuable for controlling emissions to the environment and for utilizing vast new sources of natural gas. The only selective catalysts for methane activation and conversion to methanol under mild conditions are methane monooxygenases (MMOs) found in methanotrophic bacteria; however, these enzymes are not amenable to standard enzyme immobilization approaches. Using particulate methane monooxygenase (pMMO), we create a biocatalytic polymer material that converts methane to methanol. We demonstrate embedding the material within a silicone lattice to create mechanically robust, gas-permeable membranes, and direct printing of micron-scale structures with controlled geometry. Remarkably, the enzymes retain up to 100% activity in the polymer construct. The printed enzyme-embedded polymer motif is highly flexible for future development and should be useful in a wide range of applications, especially those involving gas-liquid reactions. C1 [Blanchette, Craig D.; Knipe, Jennifer M.; Stolaroff, Joshuah K.; DeOtte, Joshua R.; Oakdale, James S.; Maiti, Amitesh; Lenhardt, Jeremy M.; Baker, Sarah E.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. [Sirajuddin, Sarah; Rosenzweig, Amy C.] Northwestern Univ, Dept Mol Biosci & Chem, Evanston, IL 60208 USA. RP Baker, SE (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.; Rosenzweig, AC (reprint author), Northwestern Univ, Dept Mol Biosci & Chem, Evanston, IL 60208 USA. EM amyr@northwestern.edu; baker74@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LDRD [14-ERD-010]; NIH grant [GM070473] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was supported by LDRD 14-ERD-010 (S.E.B.) and NIH grant GM070473 (A.C.R.) NR 56 TC 3 Z9 3 U1 25 U2 34 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11900 DI 10.1038/ncomms11900 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP7NB UT WOS:000378685000001 PM 27301270 ER PT J AU Ihli, J Clark, JN Cote, AS Kim, YY Schenk, AS Kulak, AN Comyn, TP Chammas, O Harder, RJ Duffy, DM Robinson, IK Meldrum, FC AF Ihli, Johannes Clark, Jesse N. Cote, Alexander S. Kim, Yi-Yeoun Schenk, Anna S. Kulak, Alexander N. Comyn, Timothy P. Chammas, Oliver Harder, Ross J. Duffy, Dorothy M. Robinson, Ian K. Meldrum, Fiona C. TI Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers SO NATURE COMMUNICATIONS LA English DT Article ID MISFIT DISLOCATIONS; DIRECTED NUCLEATION; LATTICE-MISMATCH; EPITAXIAL LAYERS; PHASE RETRIEVAL; CRYSTALLIZATION; TEMPLATE; CARBONATE; HETEROEPITAXY; ALKANETHIOLS AB Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates. C1 [Ihli, Johannes; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Meldrum, Fiona C.] Univ Leeds, Sch Chem, Woodhouse Lane, Leeds LS2 9JT, W Yorkshire, England. [Clark, Jesse N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [Clark, Jesse N.] DESY, Ctr Free Electron Laser Sci CFEL, Notkestr 85, D-22607 Hamburg, Germany. [Cote, Alexander S.; Duffy, Dorothy M.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Comyn, Timothy P.] Univ Leeds, Inst Mat Res, Leeds LS2 9JT, W Yorkshire, England. [Chammas, Oliver] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Harder, Ross J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Robinson, Ian K.] UCL, London Ctr Nanotechnol, 17-19 Gordon St, London WC1H 0AH, England. [Ihli, Johannes] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Cote, Alexander S.] UCL, London Ctr Nanotechnol, 17-19 Gordon St, London WC1H 0AH, England. RP Ihli, J; Meldrum, FC (reprint author), Univ Leeds, Sch Chem, Woodhouse Lane, Leeds LS2 9JT, W Yorkshire, England.; Robinson, IK (reprint author), UCL, London Ctr Nanotechnol, 17-19 Gordon St, London WC1H 0AH, England.; Ihli, J (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. EM johannes.ihli@psi.ch; i.robinson@ucl.ac.uk; F.Meldrum@leeds.ac.uk RI Cote, Alexander/C-1350-2008 OI Cote, Alexander/0000-0002-3596-0509 FU FP7-advanced grant from the European Research Council; Engineering and Physical Sciences Research Council Leadership Fellowship [EP/H005374/1]; EPSRC [EP/K006304/1, EP/I001514/1]; US National Science Foundation [DMR-9724294]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by FP7-advanced grant from the European Research Council (J.N.C. and I.K.R.), by an Engineering and Physical Sciences Research Council Leadership Fellowship (F.C.M., J.I. and Y.Y.K.; EP/H005374/1) and EPSRC grant EP/K006304/1 (A.N.K.). F.C.M., A.S.S., D.M.D. and A.S.C. are also supported by an EPSRC Programme Grant (grant EP/I001514/1) that funds the Materials Interface with Biology (MIB) consortium. Some of the experimental work was carried out at Advanced Photon Source Beamline 34-ID-C, built with funds from the US National Science Foundation under Grant DMR-9724294 and operated by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. NR 39 TC 1 Z9 1 U1 25 U2 38 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11878 DI 10.1038/ncomms11878 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP7MW UT WOS:000378684400001 PM 27302863 ER PT J AU Jensen, KMO Juhas, P Tofanelli, MA Heinecke, CL Vaughan, G Ackerson, CJ Billinge, SJL AF Jensen, Kirsten M. O. Juhas, Pavol Tofanelli, Marcus A. Heinecke, Christine L. Vaughan, Gavin Ackerson, Christopher J. Billinge, Simon J. L. TI Polymorphism in magic-sized Au-144(SR)(60) clusters SO NATURE COMMUNICATIONS LA English DT Article ID PROTECTED GOLD NANOCLUSTERS; PAIR DISTRIBUTION FUNCTION; X-RAY CRYSTALLOGRAPHY; CRYSTAL-STRUCTURE; THEORETICAL-ANALYSIS; ELECTRON-MICROSCOPY; OPTICAL-PROPERTIES; NMR-SPECTROSCOPY; ATOMIC-STRUCTURE; NANOPARTICLES AB Ultra-small, magic-sized metal nanoclusters represent an important new class of materials with properties between molecules and particles. However, their small size challenges the conventional methods for structure characterization. Here we present the structure of ultra-stable Au-144(SR)(60) magic-sized nanoclusters obtained from atomic pair distribution function analysis of X-ray powder diffraction data. The study reveals structural polymorphism in these archetypal nanoclusters. In addition to confirming the theoretically predicted icosahedral-cored cluster, we also find samples with a truncated decahedral core structure, with some samples exhibiting a coexistence of both cluster structures. Although the clusters are monodisperse in size, structural diversity is apparent. The discovery of polymorphism may open up a new dimension in nanoscale engineering. C1 [Jensen, Kirsten M. O.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Tofanelli, Marcus A.; Heinecke, Christine L.; Ackerson, Christopher J.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Vaughan, Gavin] European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France. RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.; Billinge, SJL (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Ackerson, CJ (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. EM chris.ackerson@colostate.edu; sb2896@columbia.edu OI Jensen, Kirsten Marie Ornsbj/0000-0003-0291-217X; Juhas, Pavol/0000-0001-8751-4458 FU Villum Foundation; Laboratory Directed Research and Development (LDRD) Program at Brookhaven National Laboratory [12-007]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC00112704]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357, DE-AC02-98CH10886]; Colorado State University; NIH [R21 EB014520] FX K.M.O. J. acknowledges support from the Villum Foundation. S.J.L.B and P.J. acknowledge funding from Laboratory Directed Research and Development (LDRD) Program 12-007 (Complex Modeling) at Brookhaven National Laboratory, which is funded by the U.S. Department of Energy, Office of Basic Energy Sciences grant DE-SC00112704. We acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities at beamline ID11. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract number DE-AC02-06CH11357. 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 number DE-AC02-98CH10886. C.J.A., M.A.T. and C.L.H. acknowledge funding from Colorado State University. C.J.A. was an American Federation for Aging Research New Investigator, while this research was conducted. C.J.A. acknowledges NIH R21 EB014520. We thank Hannu Hakkinen for useful feedback and structure data used at early stages of this work. NR 62 TC 7 Z9 7 U1 20 U2 39 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11859 DI 10.1038/ncomms11859 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP7LA UT WOS:000378679500001 PM 27297400 ER PT J AU Shi, FF Song, ZC Ross, PN Somorjai, GA Ritchie, RO Komvopoulos, K AF Shi, Feifei Song, Zhichao Ross, Philip N. Somorjai, Gabor A. Ritchie, Robert O. Komvopoulos, Kyriakos TI Failure mechanisms of single-crystal silicon electrodes in lithium-ion batteries SO NATURE COMMUNICATIONS LA English DT Article ID TRANSFORM-INFRARED-SPECTROSCOPY; SIZE-DEPENDENT FRACTURE; FLUOROETHYLENE CARBONATE; COMPOSITE ELECTRODES; LITHIATED SILICON; ANODES; PERFORMANCE; INTERFACE; INSERTION AB Long-term durability is a major obstacle limiting the widespread use of lithium-ion batteries in heavy-duty applications and others demanding extended lifetime. As one of the root causes of the degradation of battery performance, the electrode failure mechanisms are still unknown. In this paper, we reveal the fundamental fracture mechanisms of single-crystal silicon electrodes over extended lithiation/delithiation cycles, using electrochemical testing, microstructure characterization, fracture mechanics and finite element analysis. Anisotropic lithium invasion causes crack initiation perpendicular to the electrode surface, followed by growth through the electrode thickness. The low fracture energy of the lithiated/unlithiated silicon interface provides a weak microstructural path for crack deflection, accounting for the crack patterns and delamination observed after repeated cycling. On the basis of this physical understanding, we demonstrate how electrolyte additives can heal electrode cracks and provide strategies to enhance the fracture resistance in future lithium-ion batteries from surface chemical, electrochemical and material science perspectives. C1 [Shi, Feifei; Song, Zhichao; Ritchie, Robert O.; Komvopoulos, Kyriakos] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Shi, Feifei; Ross, Philip N.; Somorjai, Gabor A.; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Ritchie, RO; Komvopoulos, K (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.; Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM roritchie@lbl.gov; kyriakos@me.berkeley.edu RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies, US Department of Energy [DE-AC02 O5CH1123]; UCB - KAUST Academic Excellence Alliance Program; Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, US Department of Energy FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies, US Department of Energy under contract no. DE-AC02 O5CH1123. K.K. also acknowledges the funding provided for this work by the UCB - KAUST Academic Excellence Alliance Program. The potentiostat instrumentation was purchased with funding from the Director, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, US Department of Energy, which also provided support to R.O.R. We thank C. Shen for assistance in micropillar sample preparation. NR 32 TC 1 Z9 1 U1 54 U2 97 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11886 DI 10.1038/ncomms11886 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP7LC UT WOS:000378679700001 PM 27297565 ER PT J AU Thomas, T Moitinho-Silva, L Lurgi, M Bjork, JR Easson, C Astudillo-Garcia, C Olson, JB Erwin, PM Lopez-Legentil, S Luter, H Chaves-Fonnegra, A Costa, R Schupp, PJ Steindler, L Erpenbeck, D Gilbert, J Knight, R Ackermann, G Lopez, JV Taylor, MW Thacker, RW Montoya, JM Hentschel, U Webster, NS AF Thomas, Torsten Moitinho-Silva, Lucas Lurgi, Miguel Bjoerk, Johannes R. Easson, Cole Astudillo-Garcia, Carmen Olson, Julie B. Erwin, Patrick M. Lopez-Legentil, Susanna Luter, Heidi Chaves-Fonnegra, Andia Costa, Rodrigo Schupp, Peter J. Steindler, Laura Erpenbeck, Dirk Gilbert, Jack Knight, Rob Ackermann, Gail Lopez, Jose Victor Taylor, Michael W. Thacker, Robert W. Montoya, Jose M. Hentschel, Ute Webster, Nicole S. TI Diversity, structure and convergent evolution of the global sponge microbiome SO NATURE COMMUNICATIONS LA English DT Article ID RNA GENE DATABASE; MARINE SPONGES; STABILITY; COMMUNITY; NETWORKS; TOOLS; MICROORGANISMS; ARCHITECTURE; SPECIFICITY; NUTRITION AB Sponges (phylum Porifera) are early-diverging metazoa renowned for establishing complex microbial symbioses. Here we present a global Porifera microbiome survey, set out to establish the ecological and evolutionary drivers of these host-microbe interactions. We show that sponges are a reservoir of exceptional microbial diversity and major contributors to the total microbial diversity of the world's oceans. Little commonality in species composition or structure is evident across the phylum, although symbiont communities are characterized by specialists and generalists rather than opportunists. Core sponge microbiomes are stable and characterized by generalist symbionts exhibiting amensal and/or commensal interactions. Symbionts that are phylogenetically unique to sponges do not disproportionally contribute to the core microbiome, and host phylogeny impacts complexity rather than composition of the symbiont community. Our findings support a model of independent assembly and evolution in symbiont communities across the entire host phylum, with convergent forces resulting in analogous community organization and interactions. C1 [Thomas, Torsten; Moitinho-Silva, Lucas] Univ New S Wales, Sch Biol Earth & Environm Sci, Ctr Marine Bioinnovat, Sydney, NSW 2052, Australia. [Thomas, Torsten; Moitinho-Silva, Lucas] Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia. [Lurgi, Miguel] Univ Adelaide, Inst Environm, Adelaide, SA 5005, Australia. [Lurgi, Miguel] Univ Adelaide, Sch Biol Sci, Adelaide, SA 5005, Australia. [Bjoerk, Johannes R.; Montoya, Jose M.] CNRS, Expt & Theoret Ecol Stn, Ecol Networks & Global Change Grp, F-09200 Moulis, France. [Bjoerk, Johannes R.] CSIC, Inst Marine Sci, E-08003 Barcelona, Spain. [Easson, Cole] Univ Alabama, Dept Biol, Tuscaloosa, AL 35487 USA. [Astudillo-Garcia, Carmen; Taylor, Michael W.] Univ Auckland, Sch Biol Sci, Auckland 1010, New Zealand. [Olson, Julie B.] Univ Alabama, Dept Biol Sci, Tuscaloosa, AL 35487 USA. [Erwin, Patrick M.; Lopez-Legentil, Susanna] Univ N Carolina, Dept Biol & Marine Biol, 5600 Marvin K Moss Lane, Wilmington, NC 28409 USA. [Erwin, Patrick M.; Lopez-Legentil, Susanna] Univ N Carolina, Ctr Marine Sci, 5600 Marvin K Moss Lane, Wilmington, NC 28409 USA. [Luter, Heidi] Charles Darwin Univ, NAMRA, Darwin, NT 0810, Australia. [Luter, Heidi] Charles Darwin Univ, Res Inst Environm & Livelihoods, Darwin, NT 0810, Australia. [Chaves-Fonnegra, Andia; Lopez, Jose Victor] Nova SE Univ, Halmos Coll Nat Sci & Oceanog, Guy Harvey Oceanog Ctr, Dania, FL 33004 USA. [Costa, Rodrigo] Univ Algarve, Microbial Ecol & Evolut Res Grp, Ctr Marine Sci, P-8005139 Faro, Portugal. [Schupp, Peter J.] Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, ICBM, D-26111 Oldenburg, Germany. [Steindler, Laura] Univ Haifa, Leon Charney Sch Marine Sci, Dept Marine Biol, IL-3498838 Haifa, Israel. [Erpenbeck, Dirk] Univ Munich, Dept Earth & Environm Sci, D-80539 Munich, Germany. [Erpenbeck, Dirk] Univ Munich, GeoBioctr LMU, D-80539 Munich, Germany. [Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Dept Surg, Chicago, IL 60637 USA. [Gilbert, Jack] Argonne Natl Lab, Argonne, IL 60439 USA. [Knight, Rob] Univ Calif San Diego, Dept Pediat, 9500 Gilman Dr, La Jolla, CA 92093 USA. [Knight, Rob] Univ Calif San Diego, Dept Comp Sci & Engn, 9500 Gilman Dr, La Jolla, CA 92093 USA. [Thacker, Robert W.] SUNY Stony Brook, Dept Ecol & Evolut, Stony Brook, NY 11794 USA. [Hentschel, Ute] GEOMAR Helmholtz Ctr Ocean Res Kiel, D-24105 Kiel, Germany. [Webster, Nicole S.] Australian Inst Marine Sci, Townsville, Qld 4816, Australia. RP Thomas, T (reprint author), Univ New S Wales, Sch Biol Earth & Environm Sci, Ctr Marine Bioinnovat, Sydney, NSW 2052, Australia.; Thomas, T (reprint author), Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia. EM t.thomas@unsw.edu.au RI Webster, Nicole/G-4980-2011; Hentschel, Ute/H-8343-2013 OI Webster, Nicole/0000-0002-4753-5278; Hentschel, Ute/0000-0003-0596-790X FU Australian Research Council Future Fellowships [FT140100197, FT120100480]; Spanish Government project MARSYMBIOMICS [CTM2013-43287-P]; Portuguese Foundation for Science and Technology [IF/01076/2014, UID/Multi/04326/2013]; US National Science Foundation [DEB-0829986, DEB-1208340]; UNESCO L'Oreal Fellowship for Young Women in Science; EU-FP7 Program [KBBE.2012.3.2-01, 311932]; French Laboratory of Excellence Project 'TULIP' [ANR-10-LABX-41, ANR-11-IDEX-002-02]; Region Midi-Pyrenees Project [CNRS 121090] FX T.T. and N.S.W. were funded through Australian Research Council Future Fellowships FT140100197 and FT120100480, respectively. S.L.L. and P.M.E. were funded by the Spanish Government project MARSYMBIOMICS CTM2013-43287-P. R.C. was funded by the Portuguese Foundation for Science and Technology through the Investigator Grant IF/01076/2014 and the project UID/Multi/04326/2013. C.G.E. and R.W.T. were supported by grants from the US National Science Foundation (DEB-0829986 and DEB-1208340). A.C.-F. was supported by the UNESCO L'Oreal Fellowship for Young Women in Science. U.H. and L.M.S. received funding from the EU-FP7 Program (KBBE.2012.3.2-01; grant no. 311932; SeaBioTech). J.M.M. was supported by the French Laboratory of Excellence Project 'TULIP' (ANR-10-LABX-41; ANR-11-IDEX-002-02) and by a Region Midi-Pyrenees Project (CNRS 121090). We thank Professor Russell Hill and members of his laboratory for providing samples and hosting a community data analysis workshop as part of the 2nd International Symposium for Sponge Microbiology. We also thank Emmanuelle Botte and Christine Gernert for DNA extractions and the Earth Microbiome Project for sequencing and sample preparation. NR 66 TC 9 Z9 9 U1 34 U2 60 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11870 DI 10.1038/ncomms11870 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP9JM UT WOS:000378812500001 PM 27306690 ER PT J AU Verbeke, JM Petit, O AF Verbeke, J. M. Petit, O. TI Stochastic Analog Neutron Transport with TRIPOLI-4 and FREYA: Bayesian Uncertainty Quantification for Neutron Multiplicity Counting SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article DE Coincidence counting; fissile materials; Bayesian uncertainty quantification ID MONTE-CARLO CODE; FISSION CHAINS AB From nuclear safeguards to homeland security applications, the need for the better modeling of nuclear interactions has grown over the past decades. Current Monte Carlo radiation transport codes compute average quantities with great accuracy and performance; however, performance and averaging come at the price of limited interaction-by-interaction modeling. These codes often lack the capability of modeling interactions exactly: for a given collision, energy is not conserved, energies of emitted particles are uncorrelated, and multiplicities of prompt fission neutrons and photons are uncorrelated. Many modern applications require more exclusive quantities than averages, such as the fluctuations in certain observables (e.g., the neutron multiplicity) and correlations between neutrons and photons. In an effort to meet this need, the radiation transport Monte Carlo code TRIPOLI-4 (R) was modified to provide a specific mode that models nuclear interactions in a full analog way, replicating as much as possible the underlying physical process. Furthermore, the computational model FREYA (Fission Reaction Event Yield Algorithm) was coupled with TRIPOLI-4 to model complete fission events. FREYA automatically includes fluctuations as well as correlations resulting from conservation of energy and momentum. Neutron multiplicity counting (NMC) exploits the correlated nature of fission chains and thus requires analog neutron transport. With the latest analog neutron transport developments in TRIPOLI-4, we show that NMC can now be properly simulated by reconstructing the mass and multiplication of two objects by analyzing the measured signal from He-3 tubes in a well counter. C1 [Verbeke, J. M.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. [Petit, O.] CEA Saclay, Commissariat Energie Atom & Energies Alternat, DM2S, DEN,SERMA,LTSD, F-91191 Gif Sur Yvette, France. RP Verbeke, JM (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM verbeke2@llnl.gov FU U.S. Department of Energy (DOE) by LLNL [DE-AC52-07NA27344]; AREVA; Office of Defense Nuclear Nonproliferation Research and Development at the DOE/National Nuclear Security Administration FX This work was performed under the auspices of the U.S. Department of Energy (DOE) by LLNL under contract DE-AC52-07NA27344. We gratefully acknowledge EDF for their long-term partnership and AREVA for their support. JMV wishes to acknowledge the Office of Defense Nuclear Nonproliferation Research and Development at the DOE/National Nuclear Security Administration for their support and to thank the stochastic team (LTSD) of the Service d'Etudes de Reacteurs et de Mathematiques Appliquees (SERMA) at CEA-Saclay, France, for hosting him while this paper was being written and while FREYA was being coupled with TRIPOLI-4. TRIPOLI-4 is a registered trademark of CEA. NR 41 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 JUN PY 2016 VL 183 IS 2 BP 214 EP 228 DI 10.13182/NSE15-82 PG 15 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DP2SV UT WOS:000378343400005 ER PT J AU Drosg, M Haouat, G Drake, DM AF Drosg, M. Haouat, G. Drake, D. M. TI Double-Differential Angle-Dependent Three-Body Neutron Production Cross Sections of the Reaction H-2(t, n) X plus Y at Triton Energies Between 5.97 and 16.41 MeV SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article DE Double-differential neutron production cross sections; t-D three-body breakup; H-2(t,n) X + Y ID COUNTING EFFICIENCY AB Monoenergetic neutron production by nuclear reactions among light elements and the production of white neutrons by such reactions are of particular interest for fusion applications. Data reduction of continuous neutron spectra is generally hampered by a lack of adequate background spectra. To find the best background spectrum for the measurement of H-3(t, n) double-differential cross sections, much effort was applied to determining a reliable background spectrum stemming from a tritium gas cell. Since the measurement of the H-2(t, n)He-4 reaction that was used for the efficiency determination used the same gas cell, the same background spectra could be used, and continuous neutron spectra stemming from the three-body (n + X + Y) reactions of H-2(t, n) X + Y could be extracted reliably. Thus, double-differential three-body neutron production cross sections were determined at 5.97, 7.47, 10.45, and 16.41 MeV, at angles between 0 and 90 deg with a scale uncertainty of < 4%. Corresponding data with projectile and target particles exchanged are available in the same center-of-mass energy range with uncertainties of similar to 25%. C1 [Drosg, M.] Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria. [Haouat, G.] Ctr Etud Bruyeres Le Chatel, Chatel, France. [Drake, D. M.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. RP Drosg, M (reprint author), Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria. EM manfred.drosg@univie.ac.at NR 12 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 JUN PY 2016 VL 183 IS 2 BP 298 EP 303 DI 10.13182/NSE15-118 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DP2SV UT WOS:000378343400011 ER PT J AU Walden, DM Ogba, OM Johnston, RC Cheong, PHY AF Walden, Daniel M. Ogba, O. Maduka Johnston, Ryne C. Cheong, Paul Ha-Yeon TI Computational Insights into the Central Role of Nonbonding Interactions in Modern Covalent Organocatalysis SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID QUATERNARY CARBON STEREOCENTERS; INTRAMOLECULAR ALDOL REACTIONS; DIELS-ALDER REACTIONS; ASYMMETRIC-SYNTHESIS; HYDROGEN-BOND; KINETIC RESOLUTION; ENANTIOSELECTIVE CONSTRUCTION; BIFUNCTIONAL ORGANOCATALYSTS; CHEMICAL-REACTIONS; ACYL PHOSPHONATES AB CONSPECTUS: The flexibility, complexity, and size of contemporary organocatalytic transformations pose interesting and powerful opportunities to computational and experimental chemists alike. In this Account, we disclose our recent computational investigations of three branches of organocatalysis in which nonbonding interactions, such as C-H center dot center dot center dot O/N interactions, play a crucial role in the organization of transition states, catalysis, and selectivity. We begin with two examples of N-heterocyclic carbene (NHC) catalysis, both collaborations with the Scheidt laboratory at Northwestern. In the first example, we discuss the discovery of an unusual diverging mechanism in a catalytic kinetic resolution of a dynamic racemate that depends on the stereochemistry of the product being formed. Specifically, the major product is formed through a concerted asynchronous [2 + 2] aldol-lactonization, while the minor products come from a stepwise spiro-lactonization pathway. Stereoselectivity and catalysis are the results of electrophilic activation from C-H center dot center dot center dot O interactions between the catalyst and the substrate and conjugative stabilization of the electrophile. In the second example, we show how knowledge and understanding of the computed transition states led to the development of a more enantioselective NHC catalyst for the butyrolactonization of acyl phosphonates. The identification of mutually exclusive C-H center dot center dot center dot O interactions in the computed major and minor TSs directly resulted in structural hypotheses that would lead to targeted destabilization of the minor TS, leading to enhanced stereoinduction. Synthesis and evaluation of the newly designed NHC catalyst validated our hypotheses. Next, we discuss two works related to Lewis base catalysis involving 4-dimethylaminopyridine (DMAP) and its derivatives. In the first, we discuss our collaboration with the Smith laboratory at St Andrews, in which we discovered the origins of the regioselectivity in carboxyl transfer reactions. We disclose how different Lewis base catalysts (NHC or DMAP) can lead to different regiomeric products as a result of differing magnitudes of aromatic and C-H center dot center dot center dot O interactions present in the respective transition states. In the second example, we discuss the mechanism and origins of the stereoselectivity of a reaction catalyzed by a planar-chiral 4-(pyrrolidino)pyridine derivative, namely, the coupling of ketenes with cyanopyrrole. We discovered that the chiral base mechanism is operative, in contrast to the originally proposed Bronsted acid mechanism. The selectivity is determined by the ease with which the major and minor TSs can realize strong stabilizing C-H center dot center dot center dot N interactions between the pyrrole cyano group and the catalyst. These interactions induce increased catalyst distortion in the minor TS, thereby leading to enantioselectivity. Finally, we discuss our computations related to amine-based organocatalysis in collaboration with the Carter laboratory at Oregon State. We probed the mechanism and stereoselectivity of a bifunctional amine thiourea-catalyzed Michael reaction. Our computations led to the design of an improved catalyst. However, synthesis and tests revealed that this catalyst was prone to degradation to side products that also catalyze the reaction, ultimately reducing the observed enantioselectivity. Lastly, we discuss our study of the mechanism and stereoselectivity of a praline sulfonamide-catalyzed Robinson annulation, in which we discovered that the enantioselectivity is controlled by the first Michael step but the diastereoselectivity is controlled by the following Mannich step. C1 [Walden, Daniel M.; Ogba, O. Maduka; Cheong, Paul Ha-Yeon] Oregon State Univ, Dept Chem, 153 Gilbert Hall, Corvallis, OR 97331 USA. [Johnston, Ryne C.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Biosci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA. RP Cheong, PHY (reprint author), Oregon State Univ, Dept Chem, 153 Gilbert Hall, Corvallis, OR 97331 USA. EM paulc@science.oregonstate.edu OI Johnston, Ryne C./0000-0002-6606-9401 FU Stone Family of OSU; National Science Foundation (NSF) [CHE-1352663] FX P.H.-Y.C. is the Bert and Emelyn Christensen Professor and gratefully acknowledges financial support from the Stone Family of OSU. Financial support from the National Science Foundation (NSF) (CHE-1352663) is acknowledged. D.M.W., O.M.O., R.C.J., and P.H.-Y.C. also acknowledge computing infrastructure in part provided by the NSF Phase-2 CCI, Center for Sustainable Materials Chemistry (CHE-1102637). We are grateful to Professors Karl A. Scheidt (Northwestern), Andrew D. Smith (St Andrews), and Rich G. Carter (Oregon State) for experimental collaborations. NR 75 TC 11 Z9 11 U1 40 U2 60 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 JUN PY 2016 VL 49 IS 6 BP 1279 EP 1291 DI 10.1021/acs.accounts.6b00204 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA DP4MP UT WOS:000378470300022 PM 27267964 ER PT J AU Kurczy, ME Forsberg, EM Thorgersen, MP Poole, FL Benton, HP Ivanisevic, J Tran, ML Wall, JD Elias, DA Adams, MWW Siuzdak, G AF Kurczy, Michael E. Forsberg, Erica M. Thorgersen, Michael P. Poole, Farris L., II Benton, H. Paul Ivanisevic, Julijana Tran, Minerva L. Wall, Judy D. Elias, Dwayne A. Adams, Michael W. W. Siuzdak, Gary TI Global Isotope Metabolomics Reveals Adaptive Strategies for Nitrogen Assimilation SO ACS CHEMICAL BIOLOGY LA English DT Article ID PERFORMANCE LIQUID-CHROMATOGRAPHY; MASS-SPECTROMETRY DATA; NITRATE ASSIMILATION; METABOLITE IDENTIFICATION; PSEUDOMONAS-AERUGINOSA; MARINE ECOSYSTEMS; DATABASE; FLUX; ENVIRONMENTS; QUANTITATION AB Nitrogen 'cycling is a microbial :metabolicprocess essential for Vobal ecologicaliagricoltiral balance. To investigate the link between the well-established otrooniun and the alternative nitrate assimilation -metabolic- pathways, global' isotope metabolomics, was employed, to :examine three nitrate reducing bacteria using (NO3)-N-15 as, a nitrogen source: In contrast to a control (Pseudomonas stn tzeri RCH2), the "results show that two,of -the isolates from Oak Ridge,,Tennessee (Pseudomonas N2A2 and N2E2) utilize nitrate, and ammonia for assiniilationconc-nrrently with differential Jabeling observed- across multiple classes of metabolites including amino acids and nucleotides. The -data -reveal that the N2A2 arid N2E2 strains conserve nitrogen -containing metabolitesi-iridicating--that the nitrate assimilation pathway is a conservation inechanism for the assimilation of nitrogen. Co -utilization of nitrate arid ammonia is likely an adaption to manage higher levels of nitrite since the denitrificotiori pathways utilized by the N2A2 and N2E2 strains from the Oak Ridge siteare preclispo'sed to the accumulation of the toxic nitrite. The use Of global- isotope metabolomics allowed for "tbi, s adaptive strategy to be investigated, which Would otherwise not have' been possible to decipher: C1 [Kurczy, Michael E.; Forsberg, Erica M.; Benton, H. Paul; Tran, Minerva L.; Siuzdak, Gary] Scripps Res Inst, Scripps Ctr Metab, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA. [Thorgersen, Michael P.; Poole, Farris L., II; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Ivanisevic, Julijana] Univ Lausanne, Fac Biol & Med, Metab Platform, Rue Bugnon 19, CH-1011 Lausanne, Switzerland. [Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Wall, Judy D.] Univ Missouri, Dept Biochem, Columbia, MO 65211 USA. [Siuzdak, Gary] Scripps Res Inst, Dept Chem Mol & Computat Biol, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA. RP Siuzdak, G (reprint author), Scripps Res Inst, Scripps Ctr Metab, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA.; Adams, MWW (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA.; Siuzdak, G (reprint author), Scripps Res Inst, Dept Chem Mol & Computat Biol, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA. EM adamsm@uga.edu; siuzdak@scripps.edu OI Forsberg, Erica/0000-0001-5190-1501; Ivanisevic, Julijana/0000-0001-8267-2705 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Institutes of Health (NIH) [R01 GMH4368, PO1 A1043376-02S1] FX The authors thank the following for funding assistance: Ecosystems and Networks Integrated with Genes and Molecular Assemblies (http://enigma.lbl.gov), a Scientific Focus Area Program at Lawrence Berkeley National Laboratory for the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under contract number DE-AC02-05CH11231, and the National Institutes of Health (NIH) grants R01 GMH4368 and PO1 A1043376-02S1. NR 53 TC 0 Z9 0 U1 9 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1554-8929 EI 1554-8937 J9 ACS CHEM BIOL JI ACS Chem. Biol. PD JUN PY 2016 VL 11 IS 6 BP 1677 EP 1685 DI 10.1021/acschembio.6b00082 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DP2FC UT WOS:000378302500025 PM 27045776 ER PT J AU Luxmoore, IJ Liu, PQ Li, PL Faist, J Nash, GR AF Luxmoore, Isaac. J. Liu, Peter Q. Li, Penglei Faist, Jerome Nash, Geoffrey R. TI Graphene-Metamaterial Photodetectors for Integrated Infrared Sensing SO ACS PHOTONICS LA English DT Article DE graphene plasmonics; photothermoelectric effect; infrared; terahertz; metamaterial; biosensing; SEIRA spectroscopy ID SPECTROSCOPY; PLASMONS; PHOTORESPONSE; TERAHERTZ; PHONONS AB In this work we study metamaterial-enhanced graphene photodetectors operating in the mid-IR to THz. The detector element consists of a graphene ribbon embedded within a dual-metal split ring resonator, which acts like a cavity to enhance the absorption of electromagnetic radiation by the graphene ribbon, while the asymmetric metal contacts enable photothermoelectric detection. Detectors designed for the mid-IR demonstrate peak responsivity (referenced to total power) of similar to 120 mV/W at 1500 cm(-1) and are employed in the spectroscopic evaluation of vibrational resonances, thus demonstrating a key step toward a platform for integrated surface-enhanced sensing. C1 [Luxmoore, Isaac. J.; Li, Penglei; Nash, Geoffrey R.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. [Liu, Peter Q.; Faist, Jerome] ETH, Inst Quantum Elect, Auguste Piccard Hof 1, CH-8093 Zurich, Switzerland. [Liu, Peter Q.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Luxmoore, IJ (reprint author), Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. EM i.j.luxmoore@exeter.ac.uk FU European Union under the FET-open grant GOSFEL; Swiss National Science Foundation through NCCR QSIT; UK Engineering and Physical Sciences Research Council through a fellowship in Frontier Manufacturing [EP/J018651/1] FX The authors thank Johanna Wolf for providing the QCL used for the detector characterization. This research was supported by the European Union under the FET-open grant GOSFEL and the Swiss National Science Foundation through NCCR QSIT. G.RN. also gratefully acknowledges the support of the UK Engineering and Physical Sciences Research Council through a fellowship in Frontier Manufacturing (Grant No. EP/J018651/1). NR 26 TC 1 Z9 1 U1 47 U2 85 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD JUN PY 2016 VL 3 IS 6 BP 936 EP 941 DI 10.1021/acsphotonics.6b00226 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA DP0QW UT WOS:000378195300005 ER PT J AU Hartsfield, T Gegg, M Su, PH Buck, MR Hollingsworth, JA Shih, CK Richter, M Htoon, H Li, XQ AF Hartsfield, Thomas Gegg, Michael Su, Ping-Hsiang Buck, Matthew R. Hollingsworth, Jennifer A. Shih, Chih-Kang Richter, Marten Htoon, Han Li, Xiaoqin TI Semiconductor Quantum Dot Lifetime Near an Atomically Smooth Ag Film Exhibits a Narrow Distribution SO ACS PHOTONICS LA English DT Article DE plasmonics; quantum dots; lifetime; epitaxial films; optical spectroscopy ID SPONTANEOUS EMISSION; PLASMONIC NANOCAVITIES; SILVER; ENHANCEMENT; BLINKING AB We investigate photoluminescence from individual "giant" CdSe/CdS core/thick-shell quantum dots (gQDs) placed near an epitaxial Ag film with an atomically smooth surface. The key observation is that the lifetimes of the gQDs are drastically reduced and exhibit a remarkably narrow distribution compared to the gQDs deposited on a thermally deposited Ag film. The larger variations in gQDs' lifetimes on the thermally deposited Ag film arise from excitonic coupling to localized surface plasmons associated with nanoscale surface corrugations of different heights. A calculation is performed based on a simple model system of a QD coupled to a metallic nanosphere The calculation shows that the QD lifetime initially shortens and reaches a saturated value with increasing radius of the metal nanoparticle (MNP). Because the epitaxial film can be treated as a sphere with an infinitely large radius, the calculation confirms and explains the different QD dynamics near the two types of Ag films as observed experimentally. Our studies demonstrate that epitaxial Ag films serve as an ideal material platform for reliable control over the QD lifetime and may lead to improved photodetectors and light emitting devices requiring fast response or modulation. C1 [Hartsfield, Thomas; Su, Ping-Hsiang; Shih, Chih-Kang; Li, Xiaoqin] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Hartsfield, Thomas; Su, Ping-Hsiang; Shih, Chih-Kang; Li, Xiaoqin] Univ Texas Austin, Ctr Complex Quantum Syst, Austin, TX 78712 USA. [Gegg, Michael; Richter, Marten] Tech Univ Berlin, Inst Theoret Phys Nichtlineare Opt & Quantenelekt, Berlin, Germany. [Buck, Matthew R.; Hollingsworth, Jennifer A.; Htoon, Han] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. [Shih, Chih-Kang; Li, Xiaoqin] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. RP Li, XQ (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA.; Li, XQ (reprint author), Univ Texas Austin, Ctr Complex Quantum Syst, Austin, TX 78712 USA.; Htoon, H (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA.; Li, XQ (reprint author), Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. EM htoon@lanl.gov; elaineli@physics.utexas.edu RI Richter, Marten/B-7790-2008; OI Richter, Marten/0000-0003-4160-1008; Htoon, Han/0000-0003-3696-2896 FU NSF [DMR-1306878, EFMA-1542747]; Welch Foundation [F-1662, F-1672]; Deutsche Forschungsgemeinschaft [Sfb 951]; Humboldt fellowship; NT 3.0 program, Ministry of Education, Taiwan; U.S. Department of Energy (DOE), Office of Basic Energy Sciences (OBES), Nanoscale Science Research Center and User Facility [C2013B0047]; Division of Materials Science and Engineering, OBES, Office of Science, DOE Grant [2009LANL1096]; Los Alamos National Laboratory Directed Research and Development Funds FX The work at UT-Austin is supported by NSF DMR-1306878 and EFMA-1542747 and Welch Foundation F-1662 and F-1672. M.G. and M.R acknowledge support by the Deutsche Forschungsgemeinschaft through Sfb 951 and thank Andreas Knorr for fruitful discussions. X.L. also gratefully acknowledges the support from a Humboldt fellowship, which facilitated the collaboration between UT-Austin and TU-Berlin and from NT 3.0 program, Ministry of Education, Taiwan. This work was conducted in part at the Center for Integrated Nano technologies (CINT), a U.S. Department of Energy (DOE), Office of Basic Energy Sciences (OBES), Nanoscale Science Research Center and User Facility under User Project C2013B0047. H.H. and J.A.H. acknowledge the support of a Division of Materials Science and Engineering, OBES, Office of Science, DOE Grant (2009LANL1096) for the synthesis and photophysical description of gQDs. M.R.B. was supported by Los Alamos National Laboratory Directed Research and Development Funds. NR 35 TC 2 Z9 2 U1 15 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD JUN PY 2016 VL 3 IS 6 BP 1085 EP 1089 DI 10.1021/acsphotonics.6b00151 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA DP0QW UT WOS:000378195300024 ER PT J AU Klimov, VI Baker, TA Lim, J Velizhanin, KA McDaniel, H AF Klimov, Victor I. Baker, Thomas A. Lim, Jaehoon Velizhanin, Kirill A. McDaniel, Hunter TI Quality Factor of Luminescent Solar Concentrators and Practical Concentration Limits Attainable with Semiconductor Quantum Dots SO ACS PHOTONICS LA English DT Article DE luminescent solar concentrator; LSC; LSC quality factor; concentration factor; optical efficiency; quantum dot ID HIGHLY LUMINESCENT; SELF-ABSORPTION; STOKES-SHIFT; NANOCRYSTALS; EFFICIENCY; RADIATION; PHOTOVOLTAICS; PERFORMANCE; SELENIDE; CELLS AB Luminescent solar concentrators (LSCs) can be utilized as both large-area collectors of solar radiation supplementing traditional photovoltaic cells as well as semitransparent "solar windows" that provide a desired degree of shading and simultaneously serve as power-generation units. An important characteristic of an LSC is a concentration factor (C) that can be thought of as a coefficient of effective enlargement (or contraction) of the area of a solar cell when it is coupled to the LSC. Here we use analytical and numerical Monte Carlo modeling in addition to experimental studies of quantum-dot-based LSCs to analyze the factors that influence optical concentration in practical devices. Our theoretical model indicates that the maximum value of C achievable with a given fluorophore is directly linked to the LSC quality factor (Q(LSC)) defined as the ratio of absorption coefficients at the wavelengths of incident and reemitted light. In fact, we demonstrate that the ultimate concentration limit (C-0) realized in large-area devices scales linearly with the LSC quality factor and in the case of perfect emitters and devices without back reflectors is approximately equal to Q(LSC). To test the predictions of this model, we conduct experimental studies of LSCs based on visible-light emitting II-VI core/shell quantum dots with two distinct LSC quality factors. We also investigate devices based on near-infrared emitting CuInSexS2-x quantum dots for which the large emission bandwidth allows us to assess the impact of varied Q(LSC) on the concentration factor by simply varying the detection wavelength. In all cases, we find an excellent agreement between the model and the experimental observations, suggesting that the developed formalism can be utilized for express evaluation of prospective LSC performance based on the optical spectra of LSC fluorophores, which should facilitate future efforts on the development of high-performance devices based on quantum dots as well as other types of emitters. C1 [Klimov, Victor I.; Baker, Thomas A.; Lim, Jaehoon] Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, POB 1663, Los Alamos, NM 87545 USA. [Velizhanin, Kirill A.] Los Alamos Natl Lab, Div Theoret, Ctr Adv Solar Photophys, Los Alamos, NM 87545 USA. [McDaniel, Hunter] UbiQD LLC, 134 East Gate Dr, Los Alamos, NM 87544 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov RI Velizhanin, Kirill/C-4835-2008; OI Klimov, Victor/0000-0003-1158-3179 FU Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences FX This work was supported by the Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. NR 44 TC 5 Z9 5 U1 11 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD JUN PY 2016 VL 3 IS 6 BP 1138 EP 1148 DI 10.1021/acsphotonics.6b00307 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA DP0QW UT WOS:000378195300032 ER PT J AU Hillson, NJ Plahar, HA Beal, J Prithviraj, R AF Hillson, Nathan J. Plahar, Hector A. Beal, Jacob Prithviraj, Ranjini TI Improving Synthetic Biology Communication: Recommended Practices for Visual Depiction and Digital Submission of Genetic Designs SO ACS SYNTHETIC BIOLOGY LA English DT Editorial Material ID DNA-SEQUENCES; REPOSITORY; STANDARD AB Research is communicated more effectively and reproducibly when articles depict genetic designs consistently and fully disclose the complete sequences of all reported constructs. ACS Synthetic Biology is now providing authors with updated guidance and piloting a new tool and publication workflow that facilitate compliance with these recommended practices and standards for visual representation and data exchange. C1 [Hillson, Nathan J.; Plahar, Hector A.] DOE Joint BioEnergy Inst JBEI, Fuels Synth Div, Emeryville, CA 94608 USA. [Hillson, Nathan J.; Plahar, Hector A.] DOE Joint BioEnergy Inst JBEI, Div Technol, Emeryville, CA 94608 USA. [Hillson, Nathan J.; Plahar, Hector A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA. [Hillson, Nathan J.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Hillson, Nathan J.; Plahar, Hector A.] Synthet Biol Engn Res Ctr, Emeryville, CA 94608 USA. [Beal, Jacob] Raytheon BBN Technol, Cambridge, MA 02138 USA. [Prithviraj, Ranjini] Amer Chem Soc, ACS Synthet Biol, Washington, DC 20036 USA. RP Hillson, NJ (reprint author), DOE Joint BioEnergy Inst JBEI, Fuels Synth Div, Emeryville, CA 94608 USA.; Hillson, NJ (reprint author), DOE Joint BioEnergy Inst JBEI, Div Technol, Emeryville, CA 94608 USA.; Hillson, NJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.; Hillson, NJ (reprint author), DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.; Hillson, NJ (reprint author), Synthet Biol Engn Res Ctr, Emeryville, CA 94608 USA.; Beal, J (reprint author), Raytheon BBN Technol, Cambridge, MA 02138 USA. EM njhillson@lbl.gov; jakebeal@bbn.com NR 13 TC 1 Z9 1 U1 3 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD JUN PY 2016 VL 5 IS 6 BP 449 EP 451 DI 10.1021/acssynbio.6b00146 PG 3 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA DP2FI UT WOS:000378303100002 PM 27267452 ER PT J AU Roehner, N Beal, J Clancy, K Bartley, B Misirli, G Grunberg, R Oberortner, E Pocock, M Bissell, M Madsen, C Nguyen, T Zhang, M Zhang, Z Zundel, Z Densmore, D Gennari, JH Wipat, A Sauro, HM Myers, CJ AF Roehner, Nicholas Beal, Jacob Clancy, Kevin Bartley, Bryan Misirli, Goksel Grunberg, Raik Oberortner, Ernst Pocock, Matthew Bissell, Michael Madsen, Curtis Nguyen, Tramy Zhang, Michael Zhang, Zhen Zundel, Zach Densmore, Douglas Gennari, John H. Wipat, Anil Sauro, Herbert M. Myers, Chris J. TI Sharing Structure and Function in Biological Design with SBOL 2.0 SO ACS SYNTHETIC BIOLOGY LA English DT Article ID SYNTHETIC BIOLOGY; MARKUP LANGUAGE; COMMUNITY STANDARD; LOGIC GATES; SYSTEMS; MODELS; CELLS; BIOSYNTHESIS; TOOLS AB The Synthetic Biology Open Language (SBOL) is a standard that enables collaborative engineering of biological systems across different institutions and tools. SBOL is developed through careful consideration of recent synthetic biology trends, real use cases, and consensus among leading researchers in the field and members of commercial biotechnology enterprises. We demonstrate and discuss how a set of SBOL-enabled software tools can form an integrated, cross-organizational workflow to recapitulate the design of one of the largest published genetic circuits to date, a 4-input AND sensor. This design encompasses the structural components of the system, such as its DNA, RNA, small molecules, and proteins, as well as the interactions between these components that determine the system's behavior/function. The demonstrated workflow and resulting circuit design illustrate the utility of SBOL 2.0 in automating the exchange of structural and functional specifications for genetic parts, devices, and the biological systems in which they operate. C1 [Roehner, Nicholas; Densmore, Douglas] Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. [Beal, Jacob] Raytheon BBN Technol, Cambridge, MA 02138 USA. [Clancy, Kevin] Thermo Fisher Sci, Carlsbad, CA 92008 USA. [Bartley, Bryan; Sauro, Herbert M.] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. [Misirli, Goksel; Madsen, Curtis; Wipat, Anil] Newcastle Univ, Sch Comp Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Grunberg, Raik] Univ Montreal, Inst Res Immunol & Canc, Montreal, PQ H3T 1J4, Canada. [Oberortner, Ernst] US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. [Pocock, Matthew] Turing Ate My Hamster Ltd, Newcastle Upon Tyne NE27 0RT, Tyne & Wear, England. [Bissell, Michael] Amyris Inc, Emeryville, CA 94608 USA. [Nguyen, Tramy; Zhang, Michael; Zhang, Zhen; Myers, Chris J.] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT 84112 USA. [Zundel, Zach] Univ Utah, Dept Bioengn, Salt Lake City, UT 84112 USA. [Gennari, John H.] Univ Washington, Dept Biomed Informat & Med Educ, Seattle, WA 98195 USA. RP Roehner, N (reprint author), Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. EM nicholasroehner@gmail.com FU National Science Foundation [DBI-1355909, DBI-1356401]; Engineering and Physical Sciences Research Council [EP/J02175X/1] FX This material is based upon work supported by National Science Foundation under grants No. DBI-1355909 and DBI-1356401, and the Engineering and Physical Sciences Research Council under grant EP/J02175X/1. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of these funding agencies. We thank Bryan Der (MIT), Oge Nnadi (JBEI), and James McLaughlin (Newcastle University) for their support in demonstrating the workflow presented in this manuscript. NR 49 TC 5 Z9 5 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD JUN PY 2016 VL 5 IS 6 BP 498 EP 506 DI 10.1021/acssynbio.5b00215 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA DP2FI UT WOS:000378303100008 PM 27111421 ER PT J AU Archambault, S Archer, A Benbow, W Bird, R Biteau, J Buchovecky, M Buckley, JH Bugaev, V Byrum, K Cerruti, M Chen, X Ciupik, L Connolly, MP Cui, W Eisch, JD Errando, M Falcone, A Feng, Q Finley, JP Fleischhack, H Fortin, P Fortson, L Furniss, A Gillanders, GH Griffin, S Grube, J Gyuk, G Hutten, M Hakansson, N Hanna, D Holder, J Humensky, TB Johnson, CA Kaaret, P Kar, P Kelley-Hoskins, N Kertzman, M Kieda, D Krause, M Krennrich, F Kumar, S Lang, MJ Maier, G McArthur, S McCann, A Meagher, K Moriarty, P Mukherjee, R Nguyen, T Nieto, D de Bhroithe, AO Ong, RA Otte, AN Park, N Perkins, JS Pichel, A Pohl, M Popkow, A Pueschel, E Quinn, J Ragan, K Reynolds, PT Richards, GT Roache, E Rovero, AC Santander, M Sembroski, GH Shahinyan, K Smith, AW Staszak, D Telezhinsky, I Tucci, JV Tyler, J Vincent, S Wakely, SP Weiner, OM Weinstein, A Williams, DA Zitzer, B Fumagalli, M Prochaska, JX AF Archambault, S. Archer, A. Benbow, W. Bird, R. Biteau, J. Buchovecky, M. Buckley, J. H. Bugaev, V. Byrum, K. Cerruti, M. Chen, X. Ciupik, L. Connolly, M. P. Cui, W. Eisch, J. D. Errando, M. Falcone, A. Feng, Q. Finley, J. P. Fleischhack, H. Fortin, P. Fortson, L. Furniss, A. Gillanders, G. H. Griffin, S. Grube, J. Gyuk, G. Huetten, M. Hakansson, N. Hanna, D. Holder, J. Humensky, T. B. Johnson, C. A. Kaaret, P. Kar, P. Kelley-Hoskins, N. Kertzman, M. Kieda, D. Krause, M. Krennrich, F. Kumar, S. Lang, M. J. Maier, G. McArthur, S. McCann, A. Meagher, K. Moriarty, P. Mukherjee, R. Nguyen, T. Nieto, D. de Bhroithe, A. O'Faolain Ong, R. A. Otte, A. N. Park, N. Perkins, J. S. Pichel, A. Pohl, M. Popkow, A. Pueschel, E. Quinn, J. Ragan, K. Reynolds, P. T. Richards, G. T. Roache, E. Rovero, A. C. Santander, M. Sembroski, G. H. Shahinyan, K. Smith, A. W. Staszak, D. Telezhinsky, I. Tucci, J. V. Tyler, J. Vincent, S. Wakely, S. P. Weiner, O. M. Weinstein, A. Williams, D. A. Zitzer, B. Fumagalli, M. Prochaska, J. X. CA VERITAS Collaboration TI UPPER LIMITS FROM FIVE YEARS OF BLAZAR OBSERVATIONS WITH THE VERITAS CHERENKOV TELESCOPES SO ASTRONOMICAL JOURNAL LA English DT Article DE BL Lacertae objects: general; galaxies: active; gamma rays: galaxies; radiation mechanisms: non-thermal ID BL-LACERTAE OBJECTS; ACTIVE GALACTIC NUCLEI; ENERGY GAMMA-RAYS; ALL-SKY SURVEY; SPECTRUM RADIO QUASARS; LARGE-AREA TELESCOPE; FERMI-LAT BLAZARS; X-RAY; OPTICAL SPECTROSCOPY; COMPLETE SAMPLE AB Between the beginning of its full-scale scientific operations in 2007 and 2012, the VERITAS Cherenkov telescope array observed more than 130 blazars; of these, 26 were detected as very-high-energy (VHE; E > 100 GeV) gamma-ray sources. In this work, we present the analysis results of a sample of 114 undetected objects. The observations constitute a total live-time of similar to 570 hr. The sample includes several unidentified Fermi-Large Area Telescope (LAT) sources (located at high Galactic latitude) as well as all the sources from the second Fermi-LAT catalog that are contained within the field of view of the VERITAS observations. We have also performed optical spectroscopy measurements in order to estimate the redshift of some of these blazars that do not have spectroscopic distance estimates. We present new optical spectra from the Kast instrument on the Shane telescope at the Lick observatory for 18 blazars included in this work, which allowed for the successful measurement or constraint on the redshift of four of them. For each of the blazars included in our sample, we provide the flux upper limit in the VERITAS energy band. We also study the properties of the significance distributions and we present the result of a stacked analysis of the data set, which shows a 4s excess. C1 [Archambault, S.; Griffin, S.; Hanna, D.; McCann, A.; Ragan, K.; Staszak, D.; Tyler, J.] McGill Univ, Dept Phys, 3600 Univ St, Montreal, PQ H3A 2T8, Canada. [Archer, A.; Buckley, J. H.; Bugaev, V.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Benbow, W.; Cerruti, M.; Fortin, P.; Roache, E.] Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. [Bird, R.; Pueschel, E.; Quinn, J.] Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Biteau, J.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Biteau, J.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Buchovecky, M.; Ong, R. A.; Popkow, A.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Byrum, K.; Zitzer, B.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Chen, X.; Hakansson, N.; Pohl, M.; Telezhinsky, I.] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany. [Chen, X.; Fleischhack, H.; Huetten, M.; Kelley-Hoskins, N.; Krause, M.; Maier, G.; de Bhroithe, A. O'Faolain; Pohl, M.; Telezhinsky, I.; Vincent, S.] DESY, Platanenallee 6, D-15738 Zeuthen, Germany. [Ciupik, L.; Grube, J.; Gyuk, G.] Adler Planetarium & Astron Museum, Dept Astron, Chicago, IL 60605 USA. [Connolly, M. P.; Gillanders, G. H.; Lang, M. J.; Moriarty, P.] Natl Univ Ireland Galway, Sch Phys, Univ Rd, Galway, Ireland. [Cui, W.; Feng, Q.; Finley, J. P.; McArthur, S.; Sembroski, G. H.; Tucci, J. V.] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA. [Eisch, J. D.; Krennrich, F.; Weinstein, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Errando, M.; Mukherjee, R.; Santander, M.] Columbia Univ Barnard Coll, Dept Phys & Astron, New York, NY 10027 USA. [Falcone, A.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Fortson, L.; Shahinyan, K.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Furniss, A.] Calif State Univ East Bay, Dept Phys, Hayward, CA 94542 USA. [Holder, J.; Kumar, S.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Holder, J.; Kumar, S.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Humensky, T. B.; Nieto, D.; Weiner, O. M.] Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. [Kaaret, P.] Univ Iowa, Dept Phys & Astron, Van Allen Hall, Iowa City, IA 52242 USA. [Kar, P.; Kieda, D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Kertzman, M.] Depauw Univ, Dept Phys & Astron, Greencastle, IN 46135 USA. [Meagher, K.; Nguyen, T.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Sch Phys, 837 State St NW, Atlanta, GA 30332 USA. [Meagher, K.; Nguyen, T.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Ctr Relativist Astrophys, 837 State St NW, Atlanta, GA 30332 USA. [Park, N.; Wakely, S. P.] Univ Chicago, Enrico Fermi Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Perkins, J. S.] NASA, Goddard Space Flight Ctr, Code 661, Greenbelt, MD 20771 USA. [Pichel, A.; Rovero, A. C.] Inst Astron & Fis Espacio, Casilla Correo 67 Sucursal 28,C1428ZAA, RA-1428 Buenos Aires, DF, Argentina. [Reynolds, P. T.] Cork Inst Technol, Dept Phys Sci, Cork, Ireland. [Smith, A. W.] Univ Maryland, College Pk, MD 20742 USA. [Smith, A. W.] NASA GSFC, College Pk, MD 20742 USA. [Fumagalli, M.] Univ Durham, Inst Computat Cosmol, South Rd, Durham DH1 3LE, England. [Fumagalli, M.] Univ Durham, Ctr Extragalact Astron, Dept Phys, South Rd, Durham DH1 3LE, England. [Prochaska, J. X.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Cerruti, M.] Univ Paris Diderot, Univ Paris 06, Sorbonne Univ, LPNHE,CNRS, 4 Pl Jussieu, F-75252 Paris 5, France. RP Benbow, W (reprint author), Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. EM wystan.benbow@cfa.harvard.edu; matteo.cerruti@lpnhe.in2p3.fr; caajohns@ucsc.edu RI Fumagalli, Michele/K-9510-2015; OI Fumagalli, Michele/0000-0001-6676-3842; Pueschel, Elisa/0000-0002-0529-1973; Krause, Maria/0000-0001-7595-0914; Santander, Juan Marcos/0000-0001-7297-8217 FU U.S. Department of Energy Office of Science; U.S. National Science Foundation; Smithsonian Institution; NSERC in Canada; Science and Technology Facilities Council [ST/L00075X/1] FX This research is supported by grants from the U.S. Department of Energy Office of Science, the U.S. National Science Foundation and the Smithsonian Institution, and by NSERC in Canada. We acknowledge the excellent work of the technical support staff at the Fred Lawrence Whipple Observatory and at the collaborating institutions in the construction and operation of the instrument. The VERITAS Collaboration is grateful to Trevor Weekes for his seminal contributions and leadership in the field of VHE gamma-ray astrophysics, which made this study possible. M.F. acknowledges support by the Science and Technology Facilities Council (grant number ST/L00075X/1). NR 149 TC 4 Z9 4 U1 3 U2 4 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 JUN PY 2016 VL 151 IS 6 AR 142 DI 10.3847/0004-6256/151/6/142 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO7VE UT WOS:000377990300009 ER PT J AU Li, TS DePoy, DL Marshall, JL Tucker, D Kessler, R Annis, J Bernstein, GM Boada, S Burke, DL Finley, DA James, DJ Kent, S Lin, H Marriner, J Mondrik, N Nagasawa, D Rykoff, ES Scolnic, D Walker, AR Wester, W Abbott, TMC Allam, S Benoit-Levy, A Bertin, E Brooks, D Capozzi, D Rosell, AC Kind, MC Carretero, J Crocce, M Cunha, CE D'Andrea, CB da Costa, LN Desai, S Diehl, HT Doel, P Flaugher, B Fosalba, P Frieman, J Gaztanaga, E Goldstein, DA Gruen, D Gruendl, RA Gutierrez, G Honscheid, K Kuehn, K Kuropatkin, N Maia, MAG Melchior, P Miller, CJ Miquel, R Mohr, JJ Neilsen, E Nichol, RC Nord, B Ogando, R Plazas, AA Romer, AK Roodman, A Sako, M Sanchez, E Scarpine, V Schubnell, M Sevilla-Noarbe, I Smith, RC Soares-Santos, M Sobreira, F Suchyta, E Tarle, G Thomas, D Vikram, V AF Li, T. S. DePoy, D. L. Marshall, J. L. Tucker, D. Kessler, R. Annis, J. Bernstein, G. M. Boada, S. Burke, D. L. Finley, D. A. James, D. J. Kent, S. Lin, H. Marriner, J. Mondrik, N. Nagasawa, D. Rykoff, E. S. Scolnic, D. Walker, A. R. Wester, W. Abbott, T. M. C. Allam, S. Benoit-Levy, A. Bertin, E. Brooks, D. Capozzi, D. Carnero Rosell, A. Kind, M. Carrasco Carretero, J. Crocce, M. Cunha, C. E. D'Andrea, C. B. da Costa, L. N. Desai, S. Diehl, H. T. Doel, P. Flaugher, B. Fosalba, P. Frieman, J. Gaztanaga, E. Goldstein, D. A. Gruen, D. Gruendl, R. A. Gutierrez, G. Honscheid, K. Kuehn, K. Kuropatkin, N. Maia, M. A. G. Melchior, P. Miller, C. J. Miquel, R. Mohr, J. J. Neilsen, E. Nichol, R. C. Nord, B. Ogando, R. Plazas, A. A. Romer, A. K. Roodman, A. Sako, M. Sanchez, E. Scarpine, V. Schubnell, M. Sevilla-Noarbe, I. Smith, R. C. Soares-Santos, M. Sobreira, F. Suchyta, E. Tarle, G. Thomas, D. Vikram, V. CA DES Collaboration TI ASSESSMENT OF SYSTEMATIC CHROMATIC ERRORS THAT IMPACT SUB-1% PHOTOMETRIC PRECISION IN LARGE-AREA SKY SURVEYS SO ASTRONOMICAL JOURNAL LA English DT Article DE atmospheric effects; methods: observational; surveys; techniques: photometric ID ATMOSPHERIC EXTINCTION; HOMOGENEOUS PHOTOMETRY; COLOR CALIBRATION; STANDARD STARS; UBVRI; REGRESSION; PASSBANDS; REDSHIFTS; SOFTWARE; GALAXIES AB Meeting the science goals for many current and future ground-based optical large-area sky surveys requires that the calibrated broadband photometry is both stable in time and uniform over the sky to 1% precision or better. Past and current surveys have achieved photometric precision of 1 %-2% by calibrating the survey's stellar photometry with repeated measurements of a large number of stars observed in multiple epochs. The calibration techniques employed by these surveys only consider the relative frame-by-frame photometric zeropoint offset and the focal plane position -dependent illumination corrections, which are independent of the source color. However, variations in the wavelength dependence of the atmospheric transmission and the instrumental throughput induce source color -dependent systematic errors. These systematic errors must also be considered to achieve the most precise photometric measurements. In this paper, we examine such systematic chromatic errors (SCEs) using photometry from the Dark Energy Survey (DES) as an example. We first define a natural magnitude system for DES and calculate the systematic errors on stellar magnitudes when the atmospheric transmission and instrumental throughput deviate from the natural system. We conclude that the SCEs caused by the change of airmass in each exposure, the change of the precipitable water vapor and aerosol in the atmosphere over time, and the non - uniformity of instrumental throughput over the focal plane can be up to 2% in some bandpasses. We then compare the calculated SCEs with the observed DES data. For the test sample data, we correct these errors using measurements of the atmospheric transmission and instrumental throughput from auxiliary calibration systems. The residual after correction is less than 0.3%. Moreover, we calculate such SCEs for Type Ia supernovae and elliptical galaxies and find that the chromatic errors for non-stellar objects are redshift-dependent and can be larger than those for stars at certain redshifts. C1 [Li, T. S.; DePoy, D. L.; Marshall, J. L.; Boada, S.; Mondrik, N.; Nagasawa, D.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Li, T. S.; DePoy, D. L.; Marshall, J. L.; Boada, S.; Mondrik, N.; Nagasawa, D.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Tucker, D.; Annis, J.; Finley, D. A.; Kent, S.; Lin, H.; Marriner, J.; Wester, W.; Allam, S.; Diehl, H. T.; Flaugher, B.; Frieman, J.; Gutierrez, G.; Kuropatkin, N.; Neilsen, E.; Nord, B.; Scarpine, V.; Soares-Santos, M.; Sobreira, F.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Kessler, R.; Scolnic, D.; Frieman, J.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Bernstein, G. M.; Sako, M.; Suchyta, E.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Burke, D. L.; Rykoff, E. S.; Gruen, D.; Roodman, A.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Burke, D. L.; Rykoff, E. S.; Cunha, C. E.; Gruen, D.; Roodman, A.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, POB 2450, Stanford, CA 94305 USA. [James, D. J.; Walker, A. R.; Abbott, T. M. C.; Smith, R. C.] Cerro Tololo Interamer Observ, Natl Opt Astron Observ, Casilla 603, La Serena, Chile. [Benoit-Levy, A.; Bertin, E.] CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Benoit-Levy, A.; Brooks, D.; Doel, P.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Benoit-Levy, A.; Bertin, E.] Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Capozzi, D.; D'Andrea, C. B.; Nichol, R. C.; Thomas, D.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Carnero Rosell, A.; da Costa, L. N.; Maia, M. A. G.; Ogando, R.; Sobreira, F.] Lab Interinst & Astron LIneA, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carnero Rosell, A.; da Costa, L. N.; Maia, M. A. G.; Ogando, R.] Observ Nacl, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Kind, M. Carrasco; Gruendl, R. A.; Sevilla-Noarbe, I.] Univ Illinois, Dept Astron, 1002 W Green St, Urbana, IL 61801 USA. [Kind, M. Carrasco; Gruendl, R. A.] Univ Illinois, Natl Ctr Supercomp Applicat, 1205 West Clark St, Urbana, IL 61801 USA. [Carretero, J.; Crocce, M.; Fosalba, P.; Gaztanaga, E.] IEEC CSIC, Inst Ciencies Espai, Campus UAB,Carrer Can Magrans S-N, E-08193 Barcelona, Spain. [Carretero, J.; Miquel, R.] Barcelona Inst Sci & Technol, IFAE, Campus UAB, E-08193 Bellaterra, Barcelona, Spain. [D'Andrea, C. B.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Desai, S.; Mohr, J. J.] Excellence Cluster Universe, Boltzmannstr 2, D-85748 Garching, Germany. [Desai, S.; Mohr, J. J.] Univ Munich, Fac Phys, Scheinerstr 1, D-81679 Munich, Germany. [Goldstein, D. A.] Univ Calif Berkeley, Dept Astron, 501 Campbell Hall, Berkeley, CA 94720 USA. [Goldstein, D. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Gruen, D.; Mohr, J. J.] Max Planck Inst Extraterr Phys, Giessenbachstr, D-85748 Garching, Germany. [Gruen, D.] Univ Munich, Univ Sternwarte, Fak Phys, Scheinerstr 1, D-81679 Munich, Germany. [Honscheid, K.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43201 USA. [Honscheid, K.] Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Melchior, P.] Princeton Univ, Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA. [Miller, C. J.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Miller, C. J.; Schubnell, M.; Tarle, G.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Plazas, A. A.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Pevensey Bldg, Brighton BN1 9QH, E Sussex, England. [Sanchez, E.; Sevilla-Noarbe, I.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Vikram, V.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Li, TS (reprint author), Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA.; Li, TS (reprint author), Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. RI Ogando, Ricardo/A-1747-2010; Sobreira, Flavia/F-4168-2015; Gaztanaga, Enrique/L-4894-2014 OI Ogando, Ricardo/0000-0003-2120-1154; Sobreira, Flavia/0000-0002-7822-0658; Gaztanaga, Enrique/0000-0001-9632-0815 FU 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; Center for Cosmology and Astro-Particle Physics at the Ohio State University; Mitchell Institute for Fundamental Physics and Astronomy at Texas AM University; 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, Tecnologia e Inovacao; Deutsche Forschungsgemeinschaft; Collaborating Institutions in the Dark Energy Survey; National Science Foundation [AST-1138766]; MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; ERDF funds from European Union; 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; University of Edinburgh; Eidgenossische Technische Hochschule (ETH) Zurich; Fermi National Accelerator Laboratory; 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 Munchen; 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 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, the Center for Cosmology and Astro-Particle Physics at the Ohio State University, the Mitchell Institute for Fundamental Physics and Astronomy at Texas A&M University, 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, Tecnologia e Inovacao, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the Dark Energy Survey. The DES data management system is supported by the National Science Foundation under Grant Number AST-1138766. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986, and Centro de Excelencia Severo Ochoa SEV-2012-0234, some of which include ERDF funds from the European Union.r 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 University of Edinburgh, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, 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 Munchen 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 49 TC 1 Z9 1 U1 2 U2 5 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 JUN PY 2016 VL 151 IS 6 AR 157 DI 10.3847/0004-6256/151/6/157 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO7VE UT WOS:000377990300024 ER PT J AU Oelkers, RJ Macri, LM Wang, LF Ashley, MCB Cui, XQ Feng, LL Gong, XF Lawrence, JS Qiang, L Luong-Van, D Pennypacker, CR Yuan, XY York, DG Zhou, X Zhu, ZX AF Oelkers, Ryan J. Macri, Lucas M. Wang, Lifan Ashley, Michael C. B. Cui, Xiangqun Feng, Long-Long Gong, Xuefei Lawrence, Jon S. Qiang, Liu Luong-Van, Daniel Pennypacker, Carl R. Yuan, Xiangyan York, Donald G. Zhou, Xu Zhu, Zhenxi TI STELLAR VARIABILITY AND FLARE RATES FROM DOME A, ANTARCTICA, USING 2009 AND 2010 CSTAR OBSERVATIONS SO ASTRONOMICAL JOURNAL LA English DT Article DE methods: data analysis; stars: flare; stars: variables: general ID DIGITAL SKY SURVEY; OPTIMAL IMAGE SUBTRACTION; VARIABLE-STARS; ECLIPSING BINARIES; IA SUPERNOVAE; LIGHT CURVES; SPACED DATA; M DWARFS; PHOTOMETRY; TELESCOPE AB The Chinese Small Telescope Array (CSTAR) carried out high-cadence time-series observations of 20.1 square degrees centered on the South Celestial Pole during the 2008, 2009, and 2010 winter seasons from Dome A in Antarctica. The nearly continuous six months of dark conditions during each observing season allowed for >106 images to be collected through gri and clear filters, resulting in the detection of >10(4) sources over the course of three years of operation. The nearly space-like conditions in the Antarctic plateau are an ideal testbed for the suitability of very small-aperture (<20 cm) telescopes to detect transient events, variable stars, and stellar flares. We present the results of a robust search for such objects using difference image analysis of the data obtained during the 2009 and 2010 winter seasons. While no transients were found, we detected 29 flaring events and find a normalized flaring rate of 5 +/- 4 x 10(-7) flare hr(-1) for late-K dwarfs, 1 1 x 10(-6) flare hr(-1) for M dwarfs and 7 1 x 10(-7) flare hr(-1) for all other stars in our sample. We suggest future small -aperture telescopes planned for deployment at Dome A would benefit from a tracking mechanism, to help alleviate effects from ghosting, and a finer pixel scale, to increase the telescope's sensitivity to faint objects. We find that the light curves of non-transient sources have excellent photometric qualities once corrected for systematics, and are limited only by photon noise and atmospheric scintillation. C1 [Oelkers, Ryan J.; Macri, Lucas M.; Wang, Lifan] Texas A&M Univ, Dept Phys & Astron, George P & Cynthia W Mitchell Inst Fundamental Ph, College Stn, TX 77843 USA. [Wang, Lifan; Feng, Long-Long; Zhu, Zhenxi] Chinese Acad Sci, Purple Mt Observ, Nanjing, Jiangsu, Peoples R China. [Wang, Lifan; Cui, Xiangqun; Feng, Long-Long; Gong, Xuefei; Qiang, Liu; Yuan, Xiangyan; Zhou, Xu; Zhu, Zhenxi] Chinese Ctr Antarctic Astron, Nanjing, Jiangsu, Peoples R China. [Ashley, Michael C. B.; Lawrence, Jon S.; Luong-Van, Daniel] Univ New S Wales, Sch Phys, Sydney, NSW 2052, Australia. [Cui, Xiangqun; Gong, Xuefei; Yuan, Xiangyan] Nanjing Inst Astron Opt & Technol, Nanjing, Jiangsu, Peoples R China. [Lawrence, Jon S.] Australian Astron Observ, N Ryde, NSW, Australia. [Qiang, Liu; Zhou, Xu] Chinese Acad Sci, Natl Astron Observ, Beijing, Peoples R China. [Pennypacker, Carl R.] Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astrophys, Berkeley, CA USA. [York, Donald G.] Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. [York, Donald G.] Univ Chicago, Enrico Fermi Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. RP Oelkers, RJ (reprint author), Texas A&M Univ, Dept Phys & Astron, George P & Cynthia W Mitchell Inst Fundamental Ph, College Stn, TX 77843 USA. EM ryan.oelkers@physics.tamu.edu OI Macri, Lucas/0000-0002-1775-4859 FU George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy; Mitchell-Heep-Munnerlyn Endowed Career Enhancement Professorship in Physics or Astronomy; Australian Research Council; Australian Antarctic Division; Chinese Polar Environment Comprehensive Investigation and Assessment Program FX R.J.O. and L.M.M. acknowledge support from the George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy and the Mitchell-Heep-Munnerlyn Endowed Career Enhancement Professorship in Physics or Astronomy. We thank the anonymous referee for the valuable comments on this manuscript which improved the quality of the paper.; The support of the Australian Research Council and the Australian Antarctic Division is acknowledged. Iridium communications were provided by the US National Science Foundation and the United States Antarctic Program.; The support of Chinese Polar Environment Comprehensive Investigation and Assessment Program is acknowledged. NR 55 TC 3 Z9 3 U1 2 U2 4 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 JUN PY 2016 VL 151 IS 6 AR 166 DI 10.3847/0004-6256/151/6/166 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO7VE UT WOS:000377990300033 ER PT J AU Whitmore, BC Allam, SS Budavari, T Casertano, S Downes, RA Donaldson, T Fall, SM Lubow, SH Quick, L Strolger, LG Wallace, G White, RL AF Whitmore, Bradley C. Allam, Sahar S. Budavari, Tamas Casertano, Stefano Downes, Ronald A. Donaldson, Thomas Fall, S. Michael Lubow, Stephen H. Quick, Lee Strolger, Louis-Gregory Wallace, Geoff White, Richard L. TI VERSION 1 OF THE HUBBLE SOURCE CATALOG SO ASTRONOMICAL JOURNAL LA English DT Article DE astrometry; catalogs; techniques: photometric; virtual observatory tools ID DIGITAL SKY SURVEY; ADVANCED CAMERA; PHOTOMETRIC PERFORMANCE; ANDROMEDA GALAXY; LEGACY ARCHIVE; 1ST SURVEY; SDSS-III; CALIBRATION; TELESCOPE; EVOLUTION AB The Hubble Source Catalog is designed to help optimize science from the Hubble Space Telescope (HST) by combining the tens of thousands of visit-based source lists in the Hubble Legacy Archive (HLA) into a single master catalog. Version 1 of the Hubble Source Catalog includes WFPC2, ACS/WFC, WFC3/UVIS, and WFC3/IR photometric data generated using SExtractor software to produce the individual source lists. The catalog includes roughly 80 million detections of 30 million objects involving 112 different detector/filter combinations, and about 160,000 HST exposures. Source lists from Data Release 8 of the HLA are matched using an algorithm developed by Budavari & Lubow. The mean photometric accuracy for the catalog as a whole is better than 0.10 mag, with relative accuracy as good as 0.02 mag in certain circumstances (e.g., bright isolated stars). The relative astrometric residuals are typically within 10 mas, with a value for the mode (i.e., most common value) of 2.3 mas. The absolute astrometric accuracy is better than 0 ''.1 for most sources, but can be much larger for a fraction of fields that could not be matched to the PanSTARRS, SDSS, or 2MASS reference systems. In this paper we describe the database design with emphasis on those aspects that enable the users to fully exploit the catalog while avoiding common misunderstandings and potential pitfalls. We provide usage examples to illustrate some of the science capabilities and data quality characteristics, and briefly discuss plans for future improvements to the Hubble Source Catalog. C1 [Whitmore, Bradley C.; Allam, Sahar S.; Casertano, Stefano; Downes, Ronald A.; Donaldson, Thomas; Fall, S. Michael; Lubow, Stephen H.; Quick, Lee; Strolger, Louis-Gregory; Wallace, Geoff; White, Richard L.] Space Telescope Sci Inst STScI, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Allam, Sahar S.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Budavari, Tamas] Johns Hopkins Univ, Dept Phys & Astron, Ctr Astrophys Sci, 3400 North Charles St, Baltimore, MD 21218 USA. RP Whitmore, BC (reprint author), Space Telescope Sci Inst STScI, 3700 San Martin Dr, Baltimore, MD 21218 USA. NR 29 TC 4 Z9 4 U1 0 U2 0 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 JUN PY 2016 VL 151 IS 6 AR 134 DI 10.3847/0004-6256/151/6/134 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO7VE UT WOS:000377990300001 ER PT J AU Lanzuisi, G Perna, M Comastri, A Cappi, M Dadina, M Marinucci, A Masini, A Matt, G Vagnetti, F Vignali, C Ballantyne, DR Bauer, FE Boggs, SE Brandt, WN Brusa, M Christensen, FE Craig, WW Fabian, AC Farrah, D Hailey, CJ Harrison, FA Luo, B Piconcelli, E Puccetti, S Ricci, C Saez, C Stern, D Walton, DJ Zhang, WW AF Lanzuisi, G. Perna, M. Comastri, A. Cappi, M. Dadina, M. Marinucci, A. Masini, A. Matt, G. Vagnetti, F. Vignali, C. Ballantyne, D. R. Bauer, F. E. Boggs, S. E. Brandt, W. N. Brusa, M. Christensen, F. E. Craig, W. W. Fabian, A. C. Farrah, D. Hailey, C. J. Harrison, F. A. Luo, B. Piconcelli, E. Puccetti, S. Ricci, C. Saez, C. Stern, D. Walton, D. J. Zhang, W. W. TI NuSTAR reveals the extreme properties of the super-Eddington accreting supermassive black hole in PG 1247+267 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies: active; galaxies: nuclei; quasars: individual: PG 1247+267; accretion, accretion disks ID ACTIVE GALACTIC NUCLEI; SEYFERT 1 GALAXIES; DIGITAL SKY SURVEY; VELOCITY IONIZED OUTFLOW; X-RAY REVERBERATION; XMM-COSMOS SURVEY; BROAD-LINE AGNS; EMISSION-LINE; DATA RELEASE; BEPPOSAX OBSERVATIONS AB PG1247+267 is one of the most luminous known quasars at z similar to 2 and is a strongly super-Eddington accreting supermassive black hole (SMBH) candidate. We obtained NuSTAR data of this intriguing source in December 2014 with the aim of studying its high-energy emission, leveraging the broad band covered by the new NuSTAR and the archival XMM-Newton data. Several measurements are in agreement with the super-Eddington scenario for PG1247+267: the soft power law (Gamma = 2.3 +/- 0.1); the weak ionized Fe emission line; and a hint of the presence of outflowing ionized gas surrounding the SMBH. The presence of an extreme reflection component is instead at odds with the high accretion rate proposed for this quasar. This can be explained with three different scenarios; all of them are in good agreement with the existing data, but imply very different conclusions: i) a variable primary power law observed in a low state, superimposed on a reflection component echoing a past, higher flux state; ii) a power law continuum obscured by an ionized, Compton thick, partial covering absorber; and iii) a relativistic disk reflector in a lamp-post geometry, with low coronal height and high BH spin. The first model is able to explain the high reflection component in terms of variability. The second does not require any reflection to reproduce the hard emission, while a rather low high-energy cutoff of similar to 100 keV is detected for the first time in such a high redshift source. The third model require a face-on geometry, which may affect the SMBH mass and Eddington ratio measurements. Deeper X-ray broad-band data are required in order to distinguish between these possibilities. C1 [Lanzuisi, G.; Perna, M.; Masini, A.; Vignali, C.; Brusa, M.] Univ Bologna, Dipartimento Fis & Astron, Viale Berti Pichat 6-2, I-40127 Bologna, Italy. [Lanzuisi, G.; Perna, M.; Comastri, A.; Masini, A.; Vignali, C.; Brusa, M.] INAF Osservatorio Astron Bologna, Via Ranzani 1, I-40127 Bologna, Italy. [Cappi, M.; Dadina, M.] INAF Ist Astrofis Spaziale & Fis Cosm, Via Piero Gobetti 101, I-40129 Bologna, Italy. [Marinucci, A.; Matt, G.] Univ Rome Tre, Dipartimento Matemat & Fis, Via Vasca Navale 84, I-00146 Rome, Italy. [Vagnetti, F.] Univ Roma Tor Vergata, Dipartimento Fis, Via Ric Sci 1, I-00133 Rome, Italy. [Ballantyne, D. R.] Georgia Inst Technol, Sch Phys, Ctr Relativist Astrophys, 837 State St, Atlanta, GA 30332 USA. [Bauer, F. E.; Ricci, C.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Casilla 306, Santiago 22, Chile. [Bauer, F. E.] Millennium Inst Astrophys, Vicuna Mackenna 4860, Santiago 7820436, Chile. [Bauer, F. E.] Space Sci Inst, 4750 Walnut St,Suite 205, Boulder, CO 80301 USA. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Brandt, W. N.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Brandt, W. N.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Brandt, W. N.] Penn State Univ, Davey Lab 104, Dept Phys, University Pk, PA 16802 USA. [Christensen, F. E.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fabian, A. C.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. [Farrah, D.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, 538 W 120th St, New York, NY 10027 USA. [Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Luo, B.] Nanjing Univ, Sch Astron & Space Sci, Nanjing 210093, Jiangsu, Peoples R China. [Luo, B.] Nanjing Univ, Minist Educ, Key Lab Modern Astron & Astrophys, Nanjing 210093, Jiangsu, Peoples R China. [Piconcelli, E.; Puccetti, S.] INAF Osservatorio Astron Roma, Via Frascati 33, I-00040 Rome, Italy. [Puccetti, S.] ASDC ASI, Via Politecn, I-00133 Rome, Italy. [Saez, C.] Korea Astron & Space Sci Inst, 776 Daedeokdae Ro, Daejeon 305348, South Korea. [Stern, D.; Walton, D. J.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Lanzuisi, G (reprint author), Univ Bologna, Dipartimento Fis & Astron, Viale Berti Pichat 6-2, I-40127 Bologna, Italy.; Lanzuisi, G (reprint author), INAF Osservatorio Astron Bologna, Via Ranzani 1, I-40127 Bologna, Italy. EM giorgio.lanzuisi2@unibo.it RI Boggs, Steven/E-4170-2015; Vagnetti, Fausto/F-7130-2014; OI Boggs, Steven/0000-0001-9567-4224; Vagnetti, Fausto/0000-0002-6689-9317; Lanzuisi, Giorgio/0000-0001-9094-0984 FU CIG grant "eEASY" [321913]; ERC [340442]; CONICYT-Chile (Basal-CATA) [PFB-06/2007]; CONICYT-Chile (FONDECYT Regular) [1141218]; CONICYT-Chile ("EMBIGGEN" Anillo) [ACT1101]; Ministry of Economy, Development, and Tourism's Millennium Science Initiative [IC120009]; Caltech NuSTAR [44A-1092750]; NASA; [ASI-INAF 2014-045-R.0]; [ASI/INAF I/037/12/0-011/13] FX We thank the anonymous referee for constructive comments that have helped us to improve the quality of the paper. G.L. thanks F. Gastaldello for useful insights on NuSTAR background issues, E. Dalessandro for advice about HST data, and O. Shemmer for help with the Swift data. G.L. acknowledges financial support from the CIG grant "eEASY" No. 321913 and from ASI-INAF 2014-045-R.0 and ASI/INAF I/037/12/0-011/13 grants. A.C.F. acknowledges support from ERC grant 340442. FEB acknowledges support from CONICYT-Chile (Basal-CATA PFB-06/2007, FONDECYT Regular 1141218, "EMBIGGEN" Anillo ACT1101), the Ministry of Economy, Development, and Tourism's Millennium Science Initiative through grant IC120009, awarded to The Millennium Institute of Astrophysics, MAS. W.N.B. and B.L. acknowledges support from Caltech NuSTAR subcontract 44A-1092750. This work 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 NASA. This research also made use of the NuSTAR Data Analysis Software (NuSTAR-DAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). NR 86 TC 1 Z9 1 U1 3 U2 3 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2016 VL 590 AR A77 DI 10.1051/0004-6361/201628325 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO9LB UT WOS:000378106800123 ER PT J AU Miskovicova, I Hell, N Hanke, M Nowak, MA Pottschmidt, K Schulz, NS Grinberg, V Duro, R Madej, OK Lohfink, AM Rodriguez, J Bel, MC Bodaghee, A Tomsick, JA Lee, JC Brown, GV Wilms, J AF Miskovicova, Ivica Hell, Natalie Hanke, Manfred Nowak, Michael A. Pottschmidt, Katja Schulz, Norbert S. Grinberg, Victoria Duro, Refiz Madej, Oliwia K. Lohfink, Anne M. Rodriguez, Jerome Bel, Marion Cadolle Bodaghee, Arash Tomsick, John A. Lee, Julia C. Brown, Gregory V. Wilms, Joern TI Chandra X-ray spectroscopy of focused wind in the Cygnus X-1 system II. The non-dip spectrum in the low/hard state - modulations with orbital phase SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE accretion, accretion disks; stars: individual: Cyg X-1; stars: individual: HDE 226868; X-rays: binaries; stars: winds, outflows ID LONG-TERM VARIABILITY; PROPORTIONAL COUNTER ARRAY; RADIATION-DRIVEN WINDS; ION LINE-INTENSITIES; ALL-SKY MONITOR; BLACK-HOLE; STELLAR WIND; TIMING-EXPLORER; TRANSIENT DIPS; WARM ABSORBER AB Accretion onto the black hole in the system HDE 226868/Cygnus X-1 is powered by the strong line-driven stellar wind of the O-type donor star. We study the X-ray properties of the stellar wind in the hard state of Cyg X-1, as determined using data from the Chandra High Energy Transmission Gratings. Large density and temperature inhomogeneities are present in the wind, with a fraction of the wind consisting of clumps of matter with higher density and lower temperature embedded in a photoionized gas. Absorption dips observed in the light curve are believed to be caused by these clumps. This work concentrates on the non-dip spectra as a function of orbital phase. The spectra show lines of H-like and He-like ions of S, Si, Na, Mg, Al, and highly ionized Fe (Fe XVII-Fe XXIV). We measure velocity shifts, column densities, and thermal broadening of the line series. The excellent quality of these five observations allows us to investigate the orbital phase-dependence of these parameters. We show that the absorber is located close to the black hole. Doppler shifted lines point at a complex wind structure in this region, while emission lines seen in some observations are from a denser medium than the absorber. The observed line profiles are phase-dependent. Their shapes vary from pure, symmetric absorption at the superior conjunction to P Cygni profiles at the inferior conjunction of the black hole. C1 [Miskovicova, Ivica; Hell, Natalie; Hanke, Manfred; Grinberg, Victoria; Duro, Refiz; Wilms, Joern] Univ Erlangen Nurnberg, Dr Karl Remeis Sternwarte, Sternwartstr 7, D-96049 Bamberg, Germany. [Miskovicova, Ivica; Hell, Natalie; Hanke, Manfred; Grinberg, Victoria; Duro, Refiz; Wilms, Joern] Univ Erlangen Nurnberg, Erlangen Ctr Astroparticle Phys, Sternwartstr 7, D-96049 Bamberg, Germany. [Hell, Natalie; Brown, Gregory V.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Nowak, Michael A.; Schulz, Norbert S.; Grinberg, Victoria] MIT Kavli Inst Astrophys & Space Res, NE80,77 Mass Ave, Cambridge, MA 02139 USA. [Pottschmidt, Katja] Univ Maryland Baltimore Cty, CRESST, 1000 Hilltop Circle, Baltimore, MD 21250 USA. [Pottschmidt, Katja] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Code 661, Greenbelt, MD 20771 USA. [Duro, Refiz] AIT Austrian Inst Technol GmbH, Donau City Str 1, A-1220 Vienna, Austria. [Madej, Oliwia K.] Radboud Univ Nijmegen, Dept Astrophys IMAPP, POB 9010, NL-6500 GL Nijmegen, Netherlands. [Madej, Oliwia K.] SRON Netherlands Inst Space Res, Sorbonnelaan 2, NL-3584 CA Utrecht, Netherlands. [Lohfink, Anne M.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. [Rodriguez, Jerome] Univ Paris Diderot, CEA DSM, CNRS, Lab AIM,UMR 7158,IRFU SAp, F-91191 Gif Sur Yvette, France. [Bel, Marion Cadolle] Max Planck Comp & Data Facil, Giessenbachstr 2, D-85748 Garching, Germany. [Bodaghee, Arash] Georgia Coll & State Univ, Dept Chem Phys & Astron, Milledgeville, GA 31061 USA. [Tomsick, John A.] Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. [Lee, Julia C.] Harvard Univ, John A Paulson Sch Engn & Appl Sci, 60 Garden St MS-6, Cambridge, MA 02138 USA. [Lee, Julia C.] Harvard Smithsonian Ctr Astrophys, 60 Garden St MS-6, Cambridge, MA 02138 USA. RP Wilms, J (reprint author), Univ Erlangen Nurnberg, Dr Karl Remeis Sternwarte, Sternwartstr 7, D-96049 Bamberg, Germany.; Wilms, J (reprint author), Univ Erlangen Nurnberg, Erlangen Ctr Astroparticle Phys, Sternwartstr 7, D-96049 Bamberg, Germany. EM joern.wilms@sternwarte.uni-erlangen.de RI Wilms, Joern/C-8116-2013 OI Wilms, Joern/0000-0003-2065-5410 FU European Community [ITN 215212]; Bundesministerium fur Wirtschaft und Technologie [DLR 50OR0701, 50OR1113]; Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; NASA; NASA through the Smithsonian Astrophysical Observatory (SAO) [SV3-73016]; NASA [NAS8-03060]; DFG Cluster of Excellence "Origin and Structure of the Universe"; Computational Center for Particles and Astrophysics (C2PAP) FX The research leading to these results was funded by the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement number ITN 215212 "Black Hole Universe" and by the Bundesministerium fur Wirtschaft und Technologie under grant numbers DLR 50OR0701 and 50OR1113. This work was partially completed by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344, and is supported by NASA grants to LLNL. Support for this work was also provided by NASA through the Smithsonian Astrophysical Observatory (SAO) contract SV3-73016 to MIT for Support of the Chandra X-Ray Center (CXC) and Science Instruments; CXC is operated by SAO for and on behalf of NASA under contract NAS8-03060. We acknowledge the support by the DFG Cluster of Excellence "Origin and Structure of the Universe" and are grateful for the support by MCB through the Computational Center for Particles and Astrophysics (C2PAP). We are thankful to John E. Davis for the SLXfig package that was used to create the figures throughout this paper, to David Huenemoerder for the AGLC routines that handled the grating lightcurves and routines related to plasma diagnostics, and to Thomas Dauser for parallel computing routines. This research has made use of the MAXI data provided by RIKEN, JAXA, and the MAXI team. NR 88 TC 1 Z9 1 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2016 VL 590 AR A114 DI 10.1051/0004-6361/201322490 PG 24 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DO9LB UT WOS:000378106800001 ER PT J AU Cardona, C Weisenhorn, P Henry, C Gilbert, JA AF Cardona, Cesar Weisenhorn, Pamela Henry, Chris Gilbert, Jack A. TI Network-based metabolic analysis and microbial community modeling SO CURRENT OPINION IN MICROBIOLOGY LA English DT Review ID LOCAL SIMILARITY ANALYSIS; COOCCURRENCE PATTERNS; COMPOSITIONAL DATA; BACTERIAL; DYNAMICS; GROWTH; LASSO; ASSOCIATIONS; ORGANIZATION; INFERENCE AB Network inference is being applied to studies of microbial ecology to visualize and characterize microbial communities. Network representations can allow examination of the underlying organizational structure of a microbial community, and identification of key players or environmental conditions that influence community assembly and stability. Microbial co-association networks provide information on the dynamics of community structure as a function of time or other external variables. Community metabolic networks can provide a mechanistic link between species through identification of metabolite exchanges and species specific resource requirements. When used together, co-association networks and metabolic networks can provide a more in-depth view of the hidden rules that govern the stability and dynamics of microbial communities. C1 [Cardona, Cesar; Gilbert, Jack A.] Univ Chicago, Grad Program Biophys Sci, Chicago, IL 60637 USA. [Cardona, Cesar; Weisenhorn, Pamela; Gilbert, Jack A.] Univ Chicago, Dept Surg, 5841 S Maryland Ave, Chicago, IL 60637 USA. [Weisenhorn, Pamela; Gilbert, Jack A.] Argonne Natl Lab, Div Biosci, Lemont, IL 60439 USA. [Henry, Chris] Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL 60439 USA. RP Gilbert, JA (reprint author), Univ Chicago, Grad Program Biophys Sci, Chicago, IL 60637 USA.; Gilbert, JA (reprint author), Univ Chicago, Dept Surg, 5841 S Maryland Ave, Chicago, IL 60637 USA.; Gilbert, JA (reprint author), Argonne Natl Lab, Div Biosci, Lemont, IL 60439 USA. EM gilbertjack@uchicago.edu FU Exxon Mobil; National Institute of Biomedical Imaging And Bioengineering of the National Institutes of Health [T32EB009412]; U.S. Dept. of Energy [DE-AC02-06CH11357] FX JAG and PW are supported by a grant from Exxon Mobil. CC is supported by the National Institute of Biomedical Imaging And Bioengineering of the National Institutes of Health under Award Number T32EB009412. This work was supported in part by the U.S. Dept. of Energy under Contract DE-AC02-06CH11357. NR 65 TC 2 Z9 2 U1 18 U2 42 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5274 EI 1879-0364 J9 CURR OPIN MICROBIOL JI Curr. Opin. Microbiol. PD JUN PY 2016 VL 31 BP 124 EP 131 DI 10.1016/j.mib.2016.03.008 PG 8 WC Microbiology SC Microbiology GA DP4GK UT WOS:000378454200019 PM 27060776 ER PT J AU Gu, X Mildner, DFR Cole, DR Rother, G Slingerland, R Brantley, SL AF Gu, Xin Mildner, David F. R. Cole, David R. Rother, Gernot Slingerland, Rudy Brantley, Susan L. TI Quantification of Organic Porosity and Water Accessibility in Marcellus Shale Using Neutron Scattering SO ENERGY & FUELS LA English DT Article; Proceedings Paper CT 22nd International Symposium on Combustion Processes (ISoCP-2015) CY SEP 22-25, 2015 CL Polish Jurassic Highland, POLAND ID SMALL-ANGLE SCATTERING; MISSISSIPPIAN BARNETT SHALE; GAS SHALES; METHANE ADSORPTION; APPALACHIAN BASIN; OIL GENERATION; SURFACE-AREA; PORE TYPES; MATTER; SYSTEMS AB Pores within organic matter (OM) are a significant contributor to the total pore system in gas shales. These pores contribute most of the storage capacity in gas shales. Here we present a novel approach to characterize the OM pore structure (including the porosity, specific surface area, pore size distribution, and water accessibility) in Marcellus shale. By using ultrasmall and small-angle neutron scattering, and by exploiting the contrast matching of the shale matrix with suitable mixtures of deuterated and protonated water, both total and water-accessible porosity were measured on centimeter-sized samples from two boreholes from the nanometer to micrometer scale with good statistical coverage. Samples were also measured after combustion at 450 degrees C. Analysis of scattering data from these procedures allowed quantification of OM porosity and water accessibility. OM hosts 24-47% of the total porosity for both organic-rich and-poor samples. This porosity occupies as much as 29% of the OM volume. In contrast to the current paradigm in the literature that OM porosity is organophilic and therefore not likely to contain water, our results demonstrate that OM pores with widths >20 nm exhibit the characteristics of water accessibility. Our approach reveals the complex structure and wetting behavior of the OM porosity at scales that are hard to interrogate using other techniques. C1 [Gu, Xin; Slingerland, Rudy; Brantley, Susan L.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Mildner, David F. R.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Cole, David R.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA. [Rother, Gernot] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Brantley, Susan L.] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA. RP Gu, X (reprint author), Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. EM xug102@psu.edu RI Rother, Gernot/B-7281-2008 OI Rother, Gernot/0000-0003-4921-6294 FU National Science Foundation [DMR-0944772]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Pittsburgh Association of Petroleum Geologists Named Grant (AAPG Foundation); NSF [OCE 11-40159]; DOE OBES Grant [DE-FG02-OSER15675]; Oak Ridge National Laboratory [DE-AC05-00OR22725]; U.S. Department of Energy [DE-AC05-00OR22725]; DOE Energy Frontier Research Center (EFRC) Nanoscale Control of Geologic CO2 [698077]; NSF Dimensions Program, Division of Environmental Biology [DEB-1342701]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; NSF Critical Zone Observatory program [EAR 12-39285, EAR 13-31726]; Penn State's Forestland Management Office in the College of Agricultural Sciences FX We thank the Appalachian Basin Black Shales Group at the Pennsylvania State University and the Pennsylvania Topographic and Geologic Survey for providing shale samples. The SANS measurements at the National Institute of Standards and Technology were supported in part by the National Science Foundation under Agreement DMR-0944772. Research of X.G. was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. X.G. acknowledges the Pittsburgh Association of Petroleum Geologists Named Grant (AAPG Foundation Grants-in-Aid Program). S.L.B. acknowledges NSF Grant OCE 11-40159 for support for work on Marcellus shale as well as DOE OBES Grant DE-FG02-OSER15675 for work on porosity using neutron scattering. The authors acknowledge Oak Ridge National Laboratory (acting under Contract DE-AC05-00OR22725 with the U.S. Department of Energy) for support for X.G. D.RC. at OSU received support from the DOE Energy Frontier Research Center (EFRC) Nanoscale Control of Geologic CO2 through Grant 698077 (neutron scattering experiments) and NSF Dimensions Program, Division of Environmental Biology under Grant DEB-1342701 (for interpretation). The research of G.R. was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Analysis of the Rose Hill shale sample was facilitated by NSF Critical Zone Observatory program grants to SLB (EAR 12-39285, EAR 13-31726). The Rose Hill shale sample derived from Penn State's Stone Valley Forest, which is supported and managed by the Penn State's Forestland Management Office in the College of Agricultural Sciences. The identification of commercial instruments does not imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the equipment used is necessarily the best available for the purpose. The manuscript was greatly improved by suggestions from three reviewers. NR 63 TC 1 Z9 1 U1 8 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD JUN PY 2016 VL 30 IS 6 BP 4438 EP 4449 DI 10.1021/acs.energyfuels.5b02878 PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DP0QZ UT WOS:000378195600007 ER PT J AU Wiggins, GM Ciesielski, PN Daw, CS AF Wiggins, Gavin M. Ciesielski, Peter N. Daw, C. Stuart TI Low-Order Modeling of Internal Heat Transfer in Biomass Particle Pyrolysis SO ENERGY & FUELS LA English DT Article; Proceedings Paper CT 22nd International Symposium on Combustion Processes (ISoCP-2015) CY SEP 22-25, 2015 CL Polish Jurassic Highland, POLAND ID FLUIDIZED-BED REACTOR; LARGE WOOD PARTICLES; EXPERIMENTAL VALIDATION; MATHEMATICAL-MODEL; MASS-TRANSFER; BEECH WOOD; WET WOOD; KINETICS; TRANSPORT; DEVOLATILIZATION AB We present a computationally efficient, one-dimensional simulation methodology for biomass particle heating under conditions typical of fast pyrolysis. Our methodology is based on identifying the rate limiting geometric and structural factors for conductive heat transport in biomass particle models with realistic morphology to develop low-order approximations that behave appropriately. Comparisons of transient temperature trends predicted by our one-dimensional method with three-dimensional simulations of woody biomass particles reveal good agreement, if the appropriate equivalent spherical diameter and bulk thermal properties are used. We conclude that, for particle sizes and heating regimes typical of fast pyrolysis, it is possible to simulate biomass particle heating with reasonable accuracy and minimal computational overhead, even when variable size, aspherical shape, anisotropic conductivity, and complex, species-specific internal pore geometry are incorporated. C1 [Wiggins, Gavin M.; Daw, C. Stuart] Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. [Ciesielski, Peter N.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Wiggins, GM (reprint author), Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM wigginsg@ornl.gov FU Computational Pyrolysis Consortium (CPC) - U.S. Department of Energy, Bioenergy Technologies Office (BETO) FX This work was supported by the Computational Pyrolysis Consortium (CPC) funded by the U.S. Department of Energy, Bioenergy Technologies Office (BETO). NR 60 TC 1 Z9 1 U1 3 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD JUN PY 2016 VL 30 IS 6 BP 4960 EP 4969 DI 10.1021/acs.energyfuels.6b00554 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DP0QZ UT WOS:000378195600060 ER PT J AU Choi, JS Zacher, AH Wang, HM Olarte, MV Armstrong, BL Meyer, HM Soykal, II Schwartz, V AF Choi, Jae-Soon Zacher, Alan H. Wang, Huamin Olarte, Mariefel V. Armstrong, Beth L. Meyer, Harry M., III Soykal, I. Ilgaz Schwartz, Viviane TI Molybdenum Carbides, Active and In Situ Regenerable Catalysts in Hydroprocessing of Fast Pyrolysis Bio-Oil SO ENERGY & FUELS LA English DT Article; Proceedings Paper CT 22nd International Symposium on Combustion Processes (ISoCP-2015) CY SEP 22-25, 2015 CL Polish Jurassic Highland, POLAND ID REACTION PATHWAYS; METAL CARBIDES; BOND SCISSION; C-O; HYDRODEOXYGENATION; HYDROGENATION; PERSPECTIVE; NITRIDES; SURFACES; BENZENE AB This paper describes properties of molybdenum carbides as a potential catalyst for fast pyrolysis bio-oil hydroprocessing. Currently, high catalyst cost, short catalyst lifetime, and lack of effective regeneration methods are hampering the development of this otherwise attractive renewable hydrocarbon technology. A series of metal-doped bulk Mo carbides were synthesized, characterized, and evaluated in sequential low-temperature stabilization and high-temperature deoxygenation of a pine-derived bio-oil. During a typical 60 h run, Mo carbides were capable of upgrading raw bio-oil to a level suitable for direct insertion into the current hydrocarbon infrastructure with residual oxygen content and total acid number of upgraded oils below 2 wt % and 0.01 mg KOH g(-1),respectively. The performance was shown to be sensitive to the type of metal dopant, Ni-doped Mo carbides outperforming Co-, Cu-, or Ca-doped counterparts; a higher Ni loading led to a superior catalytic performance. No bulk oxidation or other significant structural changes were observed. Besides the structural robustness, another attractive property of Mo carbides was in situ regenerability. The effectiveness of regeneration was demonstrated by successfully carrying out four consecutive 60 h runs with a reductive decoking between two adjacent runs. These results strongly suggest that Mo carbides are a good catalyst candidate which could lead to a significant cost reduction in hydroprocessing bio-oils. We highlight areas for future research which will be needed to further understand carbide structure function relationships and help design practical bio-oil upgrading catalysts based on Mo carbides. C1 [Choi, Jae-Soon; Armstrong, Beth L.; Meyer, Harry M., III; Soykal, I. Ilgaz; Schwartz, Viviane] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zacher, Alan H.; Wang, Huamin; Olarte, Mariefel V.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Choi, JS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM choijs@ornl.gov RI Armstrong, Beth/E-6752-2017 OI Armstrong, Beth/0000-0001-7149-3576 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office; U.S. Department of Energy [DE-AC05-00OR22725]; Department of Energy FX This research was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. A portion of this research was conducted at ORNL's Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. We would like to thank our colleagues for their technical assistance and useful discussions particularly Daniel Santosa and Susanne Jones at PNNL and Jong Keum, Will Brookshear, Josh Pihl, John Henry, and Kevin Cooley at ORNL. 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 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. 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 36 TC 1 Z9 1 U1 9 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD JUN PY 2016 VL 30 IS 6 BP 5016 EP 5026 DI 10.1021/acs.energyfuels.6b00937 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DP0QZ UT WOS:000378195600064 ER PT J AU Josephson, AJ Lignell, DO Brown, AL Fletcher, TH AF Josephson, Alexander J. Lignell, David O. Brown, Alexander L. Fletcher, Thomas H. TI Revision to Modeling Soot Derived from Pulverized Coal (vol 12, pg 745, 1998) SO ENERGY & FUELS LA English DT Correction C1 [Josephson, Alexander J.; Lignell, David O.; Fletcher, Thomas H.] Brigham Young Univ, Dept Chem Engn, 350 CB, Provo, UT 84602 USA. [Brown, Alexander L.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Fletcher, TH (reprint author), Brigham Young Univ, Dept Chem Engn, 350 CB, Provo, UT 84602 USA. EM tom_fletcher@byu.edu OI Josephson, Alexander/0000-0001-7079-5302 NR 6 TC 0 Z9 0 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD JUN PY 2016 VL 30 IS 6 BP 5198 EP 5199 DI 10.1021/acs.energyfuels.6b01007 PG 2 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DP0QZ UT WOS:000378195600086 ER PT J AU Bone, WP Washington, NL Buske, OJ Adams, DR Davis, J Draper, D Flynn, ED Girdea, M Godfrey, R Golas, G Groden, C Jacobsen, J Kohler, S Lee, EMJ Links, AE Markello, TC Mungall, CJ Nehrebecky, M Robinson, PN Sincan, M Soldatos, AG Tifft, CJ Toro, C Trang, H Valkanas, E Vasilevsky, N Wahl, C Wolfe, LA Boerkoel, CF Brudno, M Haendel, MA Gahl, WA Smedley, D AF Bone, William P. Washington, Nicole L. Buske, Orion J. Adams, David R. Davis, Joie Draper, David Flynn, Elise D. Girdea, Marta Godfrey, Rena Golas, Gretchen Groden, Catherine Jacobsen, Julius Koehler, Sebastian Lee, Elizabeth M. J. Links, Amanda E. Markello, Thomas C. Mungall, Christopher J. Nehrebecky, Michele Robinson, Peter N. Sincan, Murat Soldatos, Ariane G. Tifft, Cynthia J. Toro, Camilo Trang, Heather Valkanas, Elise Vasilevsky, Nicole Wahl, Colleen Wolfe, Lynne A. Boerkoel, Cornelius F. Brudno, Michael Haendel, Melissa A. Gahl, William A. Smedley, Damian TI Computational evaluation of exome sequence data using human and model organism phenotypes improves diagnostic efficiency SO GENETICS IN MEDICINE LA English DT Article DE exome sequencing; model organisms; phenotype; semantic comparison; undiagnosed diseases ID UNDIAGNOSED DISEASES; PRIORITIZATION; GENES; ONSET; INTERACTOME; ZEBRAFISH; MUTATIONS; PROJECT; WALKING AB Purpose: Medical diagnosis and molecular or biochemical :confirmation typically rely on the knowledge of the clinician. Although this is very difficult in extremely rare diseases, we hypothesized that the recording of patient phenotypes in Human Phenotype Ontology (HPO) terms and computationally ranking putative disease-associated sequence variants improves diagnosis, particularly for patients with atypical clinical profiles. Methods: Using simulated exomes and the National Institutes of Health Undiagnosed Diseases Program (UDP) patient cohort and associated exome sequence, we tested our hypothesis using Exomiser. Exomiser ranks candidate variants based on patient phenotype similarity to (i) known disease-gene phenotypes, (ii) model organism phenotypes of candidate orthologs, and (iii) phenotypes of protein protein association neighbors. Results: Benchmarking showed Exomiser ranked the causal variant as the top hit in 97% of known disease-gene associations and ranked the correct seeded variant in up to 87% when detectable disease-gene associations were unavailable. Using UDP data, Exomiser ranked the causative variant(s) within the top 10 variants for 11 previously diagnosed variants and achieved a diagnosis for 4 of 23 cases undiagnosed by clinical evaluation. Conclusion: Structured phenotyping of patients and computational analysis are effective adjuncts for diagnosing patients with genetic disorders. C1 [Bone, William P.; Adams, David R.; Davis, Joie; Draper, David; Flynn, Elise D.; Godfrey, Rena; Golas, Gretchen; Groden, Catherine; Lee, Elizabeth M. J.; Links, Amanda E.; Markello, Thomas C.; Nehrebecky, Michele; Sincan, Murat; Soldatos, Ariane G.; Tifft, Cynthia J.; Toro, Camilo; Valkanas, Elise; Wahl, Colleen; Wolfe, Lynne A.; Boerkoel, Cornelius F.; Gahl, William A.] NIH, Undiagnosed Dis Program, Common Fund, Off Director, Bldg 10, Bethesda, MD 20892 USA. [Washington, Nicole L.; Mungall, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Buske, Orion J.; Girdea, Marta; Trang, Heather; Brudno, Michael] Hosp Sick Children, Ctr Computat Med, 555 Univ Ave, Toronto, ON M5G 1X8, Canada. [Buske, Orion J.; Girdea, Marta; Trang, Heather; Brudno, Michael] Univ Toronto, Dept Comp Sci, Toronto, ON, Canada. [Draper, David; Tifft, Cynthia J.; Gahl, William A.] NHGRI, Med Genet Branch, Bethesda, MD 20892 USA. [Jacobsen, Julius; Smedley, Damian] Wellcome Trust Sanger Inst, Skarnes Fac Grp, Hinxton, England. [Koehler, Sebastian; Robinson, Peter N.] Charite, Inst Med Genet & Human Genet, D-13353 Berlin, Germany. [Vasilevsky, Nicole; Haendel, Melissa A.] Oregon Hlth & Sci Univ, Lib, Portland, OR 97201 USA. [Vasilevsky, Nicole; Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Med Informat & Epidemiol, Portland, OR 97201 USA. RP Smedley, D (reprint author), Wellcome Trust Sanger Inst, Skarnes Fac Grp, Hinxton, England. EM ds5@sanger.ac.uk OI Flynn, Elise/0000-0003-0221-8196; Vasilevsky, Nicole/0000-0001-5208-3432 FU Intramural Research Program of the National Human Genome Research Institute; Common Fund of the NIH Office of the Director; NIH Office of Director [1R24OD011883]; NIH-UDP [HHSN268201300036C]; Wellcome Trust [098051]; National Institutes of Health grant (NIH) [1 U54 HG006370-01] FX We thank Megan Kane, Mariska Davids, Katherine Schaffer, Christopher Adams, and Michael Warburton for critical review of the manuscript. This work was supported by the Intramural Research Program of the National Human Genome Research Institute and the Common Fund of the NIH Office of the Director. Monarch grants: This work was supported by the NIH Office of Director (1R24OD011883) and NIH-UDP (HHSN268201300036C). Sanger grants: This work was supported by the Wellcome Trust grant (098051) and National Institutes of Health grant (NIH) (1 U54 HG006370-01). NR 31 TC 10 Z9 10 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1098-3600 EI 1530-0366 J9 GENET MED JI Genet. Med. PD JUN PY 2016 VL 18 IS 6 BP 608 EP 617 DI 10.1038/gim.2015.137 PG 10 WC Genetics & Heredity SC Genetics & Heredity GA DP0MQ UT WOS:000378184300010 PM 26562225 ER PT J AU Huang, SZ Huang, Q Leng, GY Chang, JX AF Huang, Shengzhi Huang, Qiang Leng, Guoyong Chang, Jianxia TI A Hybrid Index for Characterizing Drought Based on a Nonparametric Kernel Estimator SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID TIME-SERIES; FREQUENCY; SEVERITY; CLIMATE; CHINA; MODEL; FRAMEWORK; TREND; DRY AB This study develops a nonparametric multivariate drought index, namely, the nonparametric multivariate standardized drought index (NMSDI), by considering the variations of both precipitation and streamflow. Building upon previous efforts in constructing nonparametric multivariate drought index, the nonparametric kernel estimator is used to derive the joint distribution of precipitation and streamflow, thus providing additional insights into drought-index development. The proposed NMSDI is applied in the Wei River basin (WRB), on the basis of which the drought-evolution characteristics are investigated. Three main results were found: 1) In general, NMSDI captures drought onset in a way that is similar to that of the standardized precipitation index and captures drought termination and persistence in a way that is similar to that of the standardized streamflow index. The drought events identified by NMSDI match well with historical drought records in the WRB. Performance is also consistent with that of an existing multivariate standardized drought index at various time scales, confirming the validity of the newly constructed NMSDI in drought detections. 2) An increasing risk of drought has been detected for past decades and will persist to a certain extent in the future in most areas of the WRB. 3) The identified changepoints of annual NMSDI are mainly concentrated in the early 1970s and mid-1990s, coincident with extensive water use and soil conservation practices. In summary, this study highlights a nonparametric multivariable drought index that can efficiently and comprehensively be used for drought detections and predictions. C1 [Huang, Shengzhi; Huang, Qiang; Chang, Jianxia] Xian Univ Technol, State Key Lab Base Ecohydraul Engn Arid Area, Xian, Peoples R China. [Leng, Guoyong] Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. RP Leng, GY (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM guoyong.leng@pnnl.gov FU National Department Public Benefit Research Foundation of the Ministry of Water Resources [201501058]; National Major Fundamental Research Program [2011CB403306-2]; National Natural Fund Major Research Plan [51190093]; Natural Science Foundation of China [51179148, 51179149, 51309188, 51379014]; Key Innovation Group of Science and Technology of Shaanxi [2012KCT-10]; China Scholarship Council; U.S. Department of Energy (DOE) Office of Science Biological and Environmental Research (BER); U.S. DOE [DE-AC05-76RL01830] FX This research was supported by the National Department Public Benefit Research Foundation of the Ministry of Water Resources (201501058), the National Major Fundamental Research Program (2011CB403306-2), the National Natural Fund Major Research Plan (51190093), the Natural Science Foundation of China (51179148, 51179149, 51309188, and 51379014), the Key Innovation Group of Science and Technology of Shaanxi (2012KCT-10), and the China Scholarship Council. Guoyong Leng was supported by U.S. Department of Energy (DOE) Office of Science Biological and Environmental Research (BER) through the Integrated Assessment Research program. The Pacific Northwest National Laboratory (PNNL) is operated for the U.S. DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 60 TC 0 Z9 0 U1 3 U2 3 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD JUN PY 2016 VL 55 IS 6 BP 1377 EP 1389 DI 10.1175/JAMC-D-15-0295.1 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DO8XC UT WOS:000378067800005 ER PT J AU Rangel, T Hamed, SM Bruneval, F Neaton, JB AF Rangel, Tonatiuh Hamed, Samia M. Bruneval, Fabien Neaton, Jeffrey B. TI Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ACCURATE IONIZATION-POTENTIALS; AROMATIC-HYDROCARBONS; ELECTRON-AFFINITIES; ORGANIC ELECTRONICS; GREENS-FUNCTION; MOLECULES; EXCHANGE; BENCHMARK; ENERGY AB Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system for benchmarking theoretical methods. In this work, we evaluate the performance of many-body perturbation theory within the GW approximation relative to new high-quality CCSD(T) reference data for charged excitations of the acenes. We compare GW calculations with a number of hybrid density functional theory starting points and with eigenvalue self-consistency. Special focus is given to elucidating the trend of GW-predicted excitations with molecule length increasing from benzene to hexacene. We find that GW calculations with starting points based on an optimally tuned range-separated hybrid (OTRSH) density functional and eigenvalue self-consistency can yield quantitative ionization potentials for the acenes. However, for larger acenes, the predicted electron affinities can deviate considerably from reference values. Our work paves the way for predictive and cost-effective GW calculations of charged excitations of molecules and identifies certain limitations of current GW methods used in practice for larger molecules. C1 [Rangel, Tonatiuh; Hamed, Samia M.; Bruneval, Fabien; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Rangel, Tonatiuh; Hamed, Samia M.; Bruneval, Fabien; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hamed, Samia M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hamed, Samia M.; Neaton, Jeffrey B.] Kavli Energy Nanosci Inst Berkeley, Berkeley, CA 94720 USA. [Bruneval, Fabien] Univ Paris Saclay, Serv Rech Met Phys, CEA, DEN, F-91191 Gif Sur Yvette, France. RP Rangel, T; Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Rangel, T; Neaton, JB (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Kavli Energy Nanosci Inst Berkeley, Berkeley, CA 94720 USA. EM trangel@lbl.gov; jbneaton@lbl.gov RI Bruneval, Fabien/C-6923-2009 OI Bruneval, Fabien/0000-0003-0885-8960 FU SciDAC Program on Excited State Phenomena in Energy Materials - U.S. Department of Energy, Office of Basic Energy Sciences and of Advanced Scientific Computing Research; Chemical Sciences, Geosciences, and Biosciences Division in the Office of Basic Energy Sciences of the US Dept. of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy FX T.R thanks S. Refaely-Abramson for her valuable feedback and discussions on the OTRSH functional. F.B. acknowledges the Enhanced Eurotalent program and the France Berkeley Fund for supporting his sabbatical leave in UC Berkeley. This research was partially supported by the SciDAC Program on Excited State Phenomena in Energy Materials funded by the U.S. Department of Energy, Office of Basic Energy Sciences and of Advanced Scientific Computing Research, and by the Chemical Sciences, Geosciences, and Biosciences Division in the Office of Basic Energy Sciences of the US Dept. of Energy, under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. 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. NR 90 TC 9 Z9 9 U1 2 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD JUN PY 2016 VL 12 IS 6 BP 2834 EP 2842 DI 10.1021/acs.jctc.6b00163 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO8ES UT WOS:000378016000030 PM 27123935 ER PT J AU Li, YP Bell, AT Head-Gordon, M AF Li, Yi-Pei Bell, Alexis T. Head-Gordon, Martin TI Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID QUARTIC FORCE-FIELD; SELF-CONSISTENT-FIELD; HARMONIC VIBRATIONAL FREQUENCIES; DENSITY-FUNCTIONAL THEORY; ROTATION ENERGY-LEVELS; VAPOR HEAT-CAPACITIES; POLYATOMIC-MOLECULES; GEOMETRY OPTIMIZATION; CONFIGURATION-INTERACTION; INTERNAL-ROTATION AB The partition functions, heat capacities, entropies, and enthalpies of selected molecules were calculated using uncoupled mode (UM) approximations, where the full-dimensional potential energy surface for internal motions was modeled as a sum of independent one-dimensional potentials for each mode. The computational cost of such approaches scales the same with molecular size as standard harmonic oscillator vibrational analysis using harmonic frequencies (HOhf). To compute thermodynamic properties, a computational protocol for obtaining the energy levels of each mode was established. The accuracy of the UM approximation depends strongly on how the one-dimensional potentials of each modes are defined. If the potentials are determined by the energy as a function of displacement along each normal mode (UM-N), the accuracies of the calculated thermodynamic properties are not significantly improved versus the HOhf model. Significant improvements can be achieved by constructing potentials for internal rotations and vibrations using the energy surfaces along the torsional coordinates and the remaining vibrational normal modes, respectively (UM-VT). For hydrogen peroxide and its isotopologs at 300 K, UM-VT captures more than 70% of the partition functions on average. By contrast, the HOhf model and UM-N can capture no more than 50%. For a selected test set of C2 to C8 linear and branched alkanes and species with different moieties, the enthalpies calculated using the HOhf model, UM-N, and UM-VT are all quite accurate comparing with reference values though the RMS errors of the HO model and UM-N are slightly higher than UM-VT. However, the accuracies in entropy calculations differ significantly between these three models. For the same test set, the RMS error of the standard entropies calculated by UM-VT is 2.18 cal mol(-1) K-1 at 1000 K. By contrast, the RMS error obtained using the HO model and UM-N are 6.42 and 5.73 cal mol(-1) K-1, respectively. For a test set composed of nine alkanes ranging from C5 to C8, the heat capacities calculated with the UM-VT model agree with the experimental values to within a RMS error of 0.78 cal mol(-1) K-1, which is less than one-third of the RMS error of the HOhf (2.69 cal mol(-1) K-1) and UM-N (2.41 cal mol(-1) K-1) models. C1 [Li, Yi-Pei; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bell, Alexis T.; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Head-Gordon, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 FU Chevron Energy Technology; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by a grant from Chevron Energy Technology. M.H.-G. acknowledges support from the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We acknowledge very helpful comments from an anonymous reviewer, including the suggestion to compare against experimental heat capacity measurements. NR 60 TC 1 Z9 1 U1 6 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD JUN PY 2016 VL 12 IS 6 BP 2861 EP 2870 DI 10.1021/acs.jctc.5b01177 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO8ES UT WOS:000378016000033 PM 27182658 ER PT J AU Stoller, RE Tamm, A Beland, LK Samolyuk, GD Stocks, GM Caro, A Slipchenko, LV Osetsky, YN Aabloo, A Klintenberg, M Wang, Y AF Stoller, R. E. Tamm, A. Beland, L. K. Samolyuk, G. D. Stocks, G. M. Caro, A. Slipchenko, L. V. Osetsky, Yu N. Aabloo, A. Klintenberg, M. Wang, Y. TI Impact of Short-Range Forces on Defect Production from High Energy Collisions SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; INTERATOMIC POTENTIALS; DISPLACEMENT CASCADES; ALPHA-FE; METALS; TRANSITION; PSEUDOPOTENTIALS; APPROXIMATION AB Primary radiation damage formation in solid materials typically involves collisions between atoms that have up to a few hundred keV of kinetic energy. Dining these collisions, the-distance between two colliding atoms can approach 0.05 nm. At such small atomic separations, force fields fitted-to equilibrium properties tend to significantly underestimate the potential-energy-of the colliding dieter. To enable molecular dynamics simulations of high-energy collisions, it is common practice to use a screened Coulomb, force field to describe the interactions and to smoothly join this to the equilibrium force field at a suitable interatomic spacing. However, there is,no accepted standard method for choosing the parameters used in the joining process, and our results prove that defect production is sensitive to how the force field's are linked. A new procedure is presented that involves the use of ab initio calculations to,determine the magnitude and spatial dependence of the pair interactions at intermediate distances, along with systematic criteria for choosing the joining parameters. Results are presented for the case of nickel, which demonstrate the use and validity of the procedure. C1 [Stoller, R. E.; Beland, L. K.; Samolyuk, G. D.; Stocks, G. M.; Osetsky, Yu N.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Tamm, A.; Aabloo, A.] Univ Tartu, Inst Technol, IMS Lab, EE-50411 Tartu, Estonia. [Tamm, A.; Caro, A.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87544 USA. [Slipchenko, L. V.] Purdue Univ, Dept Chem, W Lafayette, IN 47906 USA. [Klintenberg, M.] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden. [Wang, Y.] Carnegie Mellon Univ, Pittsburgh Supercomp Ctr, Pittsburgh, PA 15213 USA. RP Stoller, RE (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM rkn@ornl.gov RI Stocks, George Malcollm/Q-1251-2016; OI Stocks, George Malcollm/0000-0002-9013-260X; Osetskiy, Yury/0000-0002-8109-0030 FU Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences; Fonds Quebecois de recherche Nature et Technologies FX This work was supported as part of the Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. L.K.B. acknowledges additional support from a fellowship awarded by the Fonds Quebecois de recherche Nature et Technologies. L.V.S. acknowledges support for computational resources provided by Information Technology at Purdue University, West Lafayette, Indiana. NR 50 TC 0 Z9 0 U1 4 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD JUN PY 2016 VL 12 IS 6 BP 2871 EP 2879 DI 10.1021/acs.jctc.5b01194 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO8ES UT WOS:000378016000034 PM 27110927 ER PT J AU Chen, M Jiang, XW Zhuang, HL Wang, LW Carter, EA AF Chen, Mohan Jiang, Xiang-Wei Zhuang, Houlong Wang, Lin-Wang Carter, Emily A. TI Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID ELECTRONIC-STRUCTURE CALCULATIONS; TRANSFERABLE LOCAL PSEUDOPOTENTIALS; 1ST-PRINCIPLES MOLECULAR-DYNAMICS; KINETIC-ENERGY FUNCTIONALS; WAVE BASIS-SET; DOMAIN DECOMPOSITION; MOLTEN LITHIUM; IMPLEMENTATION; SIMULATIONS; GAS AB Orbital-free density functional theory (OFDFT) is a quantum-mechanics-based method that utilizes electron density as its sole variable. The main computational cost in OFDFT is the ubiquitous use of the fast Fourier transform (FFT), which is mainly adopted to evaluate the kinetic energy density functional (KEDF) and electron electron Coulomb interaction terms. We design and implement a small-box FFT (SBFFT) algorithm to overcome the parallelization limitations of conventional FFT algorithms. We also propose real-space truncation of the nonlocal Wang-Teter KEDF kernel. The scalability of the SBFFT is demonstrated by efficiently simulating one full optimization step (electron density, energies, forces, and stresses) of 1,024,000 lithium (Li) atoms on up to 65,536 cores. We perform other tests using Li as a test material, including calculations of physical properties of different phases of bulk Li, geometry optimizations of nanocrystalline Li, and molecular dynamics simulations of liquid Li. All of the tests yield excellent agreement with the original OFDFT results, suggesting that the OFDFT-SBFFT algorithm opens the door to efficient first-principles simulations of materials containing millions of atoms. C1 [Chen, Mohan; Zhuang, Houlong; Carter, Emily A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. [Jiang, Xiang-Wei] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. [Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Carter, Emily A.] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA. [Carter, Emily A.] Princeton Univ, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA. RP Carter, EA (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.; Wang, LW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Carter, EA (reprint author), Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA.; Carter, EA (reprint author), Princeton Univ, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA. EM lwwang@lbl.gov; eac@princeton.edu RI Zhuang, Houlong/D-8801-2014; Chen, Mohan/F-4621-2017 OI Zhuang, Houlong/0000-0002-3845-4601; Chen, Mohan/0000-0002-8071-5633 FU Office of Naval Research [N00014-15-1-2218]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy (DOE) through the Material Theory Program at LBNL [DE-AC02-05CH11231, KC2301]; Office of Science of the DOE [DE-AC05-000R22725] FX This work was supported by the Office of Naval Research (Grant N00014-15-1-2218 to E.A.C. and L.-W.W.). L.-W.W. is primarily supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 through the Material Theory Program (KC2301) at LBNL. The authors thank Ms. Nari Baughman and Dr. Johannes M. Dieterich for helping to edit this manuscript. The authors thank the Terascale Infrastructure for Groundbreaking Research in Science and Engineering (TI-GRESS) high performance computing center at Princeton University and the Garnet supercomputer at the DoD Supercomputing Resource Center (DSRC). The research also used computational resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under Contract No. DE-AC05-000R22725, with computational time allocated by the Innovative and Novel Computational Impact on Theory and Experiment Project. NR 95 TC 0 Z9 0 U1 7 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD JUN PY 2016 VL 12 IS 6 BP 2950 EP 2963 DI 10.1021/acs.jctc.6b00326 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO8ES UT WOS:000378016000042 PM 27145175 ER PT J AU Kucharik, CJ Mork, AC Meehan, TD Serbin, SP Singh, A Townsend, PA Whitney, KS Gratton, C AF Kucharik, Christopher J. Mork, Amelia C. Meehan, Timothy D. Serbin, Shawn P. Singh, Aditya Townsend, Philip A. Whitney, Kaitlin Stack Gratton, Claudio TI Evidence for Compensatory Photosynthetic and Yield Response of Soybeans to Aphid Herbivory SO JOURNAL OF ECONOMIC ENTOMOLOGY LA English DT Article DE plant-insect interaction; photosynthesis; yield; leaf gas exchange; host plant resistance ID GLYCINES MATSUMURA HEMIPTERA; ECONOMIC THRESHOLD; PLANT COMPENSATION; POPULATION-GROWTH; CROP YIELD; NITROGEN; PREDATORS; RESISTANCE; TOLERANCE; FIELD AB The soybean aphid, Aphis glycines Matsumura, an exotic species in North America that has been detected in 21 U.S. states and Canada, is a major pest for soybean that can reduce maximum photosynthetic capacity and yields. Our existing knowledge is based on relatively few studies that do not span a wide variety of environmental conditions, and often focus on relatively high and damaging population pressure. We examined the effects of varied populations and duration of soybean aphids on soybean photosynthetic rates and yield in two experiments. In a 2011 field study, we found that plants with low cumulative aphid days (CAD, less than 2,300) had higher yields than plants not experiencing significant aphid pressure, suggesting a compensatory growth response to low aphid pressure. This response did not hold at higher CAD, and yields declined. In a 2013 controlled-environment greenhouse study, soybean plants were well-watered and fertilized with nitrogen (N), and aphid populations were manipulated to reach moderate to high levels (8,000-50,000 CAD). Plants tolerated these population levels when aphids were introduced during the vegetative or reproductive phenological stages of the plant, showing no significant reduction in yield. Leaf N concentration and CAD were positively and significantly correlated with increasing ambient photosynthetic rates. Our findings suggest that, given the right environmental conditions, modern soybean plants can withstand higher aphid pressure than previously assumed. Moreover, soybean plants also responded positively through a compensatory photosynthetic effect to moderate population pressure, contributing to stable or increased yield. C1 [Kucharik, Christopher J.; Mork, Amelia C.] Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA. [Kucharik, Christopher J.] Univ Wisconsin, Nelson Inst Ctr Sustainabil & Global Environm SAG, 1710 Univ Ave, Madison, WI 53726 USA. [Meehan, Timothy D.; Whitney, Kaitlin Stack; Gratton, Claudio] Univ Wisconsin, Dept Entomol, 1552 Univ Av, Madison, WI 53706 USA. [Serbin, Shawn P.] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Bldg 490D POB 5000, Upton, NY 11973 USA. [Singh, Aditya; Townsend, Philip A.] Univ Wisconsin, Dept Forest & Wildlife Ecol, 1630 Linden Dr, Madison, WI 53706 USA. RP Kucharik, CJ (reprint author), Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA.; Kucharik, CJ (reprint author), Univ Wisconsin, Nelson Inst Ctr Sustainabil & Global Environm SAG, 1710 Univ Ave, Madison, WI 53726 USA. EM kucharik@wisc.edu; amelia.perillo@gmail.com; tmeeha@gmail.com; sserbin@bnl.gov; singh22@wisc.edu; ptownsend@wisc.edu; whitney3@wisc.edu; cgratton@wisc.edu RI Singh, Aditya/I-3628-2013; Serbin, Shawn/B-6392-2009; Townsend, Philip/B-5741-2008; OI Singh, Aditya/0000-0001-5559-9151; Serbin, Shawn/0000-0003-4136-8971; Townsend, Philip/0000-0001-7003-8774; Kucharik, Christopher/0000-0002-0400-758X FU USDA Agriculture and Food Research Initiative Competitive Grant [2011-67009-3002]; United States Department of Energy [DE-SC00112704] FX We thank the two anonymous reviewers for their thoroughness and helpful suggestions. We thank Molly Young, Jade Kochanski, Trip Hook, Clayton Kingdon, Skye Greenler, Mike Cruse, Joey Lechelt, Ryan Geygan, Rob Phetteplace, Nick Grout, and Tyler Davis for assisting with fieldwork. We appreciate the helpful discussions and input from Daniel Kleinman. The research was funded through USDA Agriculture and Food Research Initiative Competitive Grant #2011-67009-3002. S.P.S. was partially supported by the United States Department of Energy contract No. DE-SC00112704 to Brookhaven National Laboratory. NR 66 TC 0 Z9 0 U1 11 U2 19 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 0022-0493 EI 1938-291X J9 J ECON ENTOMOL JI J. Econ. Entomol. PD JUN PY 2016 VL 109 IS 3 BP 1177 EP 1187 DI 10.1093/jee/tow066 PG 11 WC Entomology SC Entomology GA DO8NX UT WOS:000378041400026 ER PT J AU Di Fabrizio, E Schlucker, S Wenger, J Regmi, R Rigneault, H Calafiore, G West, M Cabrini, S Fleischer, M van Hulst, NF Garcia-Parajo, MF Pucci, A Cojoc, D Hauser, CAE Ni, M AF Di Fabrizio, Enzo Schluecker, Sebastian Wenger, Jerome Regmi, Raju Rigneault, Herve Calafiore, Giuseppe West, Melanie Cabrini, Stefano Fleischer, Monika van Hulst, Niek F. Garcia-Parajo, Maria F. Pucci, Annemarie Cojoc, Dan Hauser, Charlotte A. E. Ni, Ming TI Roadmap on biosensing and photonics with advanced nano-optical methods SO JOURNAL OF OPTICS LA English DT Article DE biophotonics; biosensing; nanomedicine; nanophotonics; plasmonics ID SURFACE-PLASMON RESONANCE; SINGLE-MOLECULE DETECTION; 2ND-HARMONIC GENERATION MICROSCOPY; MODE WAVE-GUIDES; LIVING CELL; VIBRATIONAL SIGNALS; INFRARED-ABSORPTION; SELF-ASSEMBLE; REAL-TIME; ANTENNAS AB This roadmap, through the contributions of ten groups worldwide, contains different techniques, methods and materials devoted to sensing in nanomedicine. Optics is used in different ways in the detection schemes. Raman, fluorescence and infrared spectroscopies, plasmonics, second harmonic generation and optical tweezers are all used in applications from single molecule detection (both in highly diluted and in highly concentrated solutions) to single cell manipulation. In general, each optical scheme, through device miniaturization and electromagnetic field localization, exploits an intrinsic optical enhancement mechanism in order to increase the sensitivity and selectivity of the device with respect to the complex molecular construct. The materials used for detection include nanoparticles and nanostructures fabricated with different 2D and 3D lithographic methods. It is shown that sensitivity to a single molecule is already accessible whether the system under study is a single cell or a multitude of cells in a molecular mixture. Throughout the roadmap there is an attempt to foresee and to suggest future directions in this interdisciplinary field. C1 [Di Fabrizio, Enzo] King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia. [Schluecker, Sebastian] Univ Duisburg Essen, Fac Chem, Phys Chem 1, Univ Str 5, D-45141 Essen, Germany. [Schluecker, Sebastian] Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, Univ Str 5, D-45141 Essen, Germany. [Wenger, Jerome; Regmi, Raju; Rigneault, Herve] Aix Marseille Univ, CNRS, Cent Marseille, Inst Fresnel,UMR 7249, F-13013 Marseille, France. [Calafiore, Giuseppe; West, Melanie; Cabrini, Stefano] Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94702 USA. [Fleischer, Monika] Univ Tubingen, Inst Appl Phys, Morgenstelle 10, D-72076 Tubingen, Germany. [Fleischer, Monika] Univ Tubingen, Ctr LISA, Morgenstelle 10, D-72076 Tubingen, Germany. [van Hulst, Niek F.; Garcia-Parajo, Maria F.] Barcelona Inst Sci & Technol, ICFO Inst Ciencies Foton, Mediterranean Technol Pk, Castelldefels 08860, Barcelona, Spain. [van Hulst, Niek F.; Garcia-Parajo, Maria F.] ICREA, Barcelona 08010, Spain. [Pucci, Annemarie] Heidelberg Univ, Kirchhoff Inst Phys, Neuenheimer Feld 227, D-69120 Heidelberg, Germany. [Cojoc, Dan] CNR, IOM Inst Mat, Area Sci Pk Basovizza,SS 14 Km 163-5, I-34149 Trieste, Italy. [Hauser, Charlotte A. E.] King Abdullah Univ Sci & Technol, Lab Nanomed, Div Biol & Environm Sci & Engn, 4700 KAUST, Thuwal 239556900, Saudi Arabia. [Ni, Ming] ASTAR, Inst Bioengn & Nanotechnol, 31 Biopolis Way,Nanos 04-01, Singapore 138669, Singapore. RP Di Fabrizio, E (reprint author), King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia. EM enzo.difabrizio@kaust.edu.sa RI Wenger, Jerome/A-5657-2008; van Hulst, Niek/J-2121-2012 OI Wenger, Jerome/0000-0002-2145-5341; van Hulst, Niek/0000-0003-4630-1776 FU Institute of Bioengineering and Nanotechnology (IBN) (Biomedical Research Council, Agency for Science, Technology and Research, Singapore) FX This work was supported by the Institute of Bioengineering and Nanotechnology (IBN) (Biomedical Research Council, Agency for Science, Technology and Research, Singapore). Further, we would like to thank our colleagues Ciprian Iliescu (IBN), Hanry Yu (IBN and Yong Loo Lin School of Medicine, Mechanobiology Institute, National University of Singapore), Shuangmu Zhuo and Peter T C So (Biosystems and Micromechanics IRG, Singapore-MIT Alliance for Research and Technology) for kindly supporting us with the SHG microscopy. NR 99 TC 1 Z9 1 U1 15 U2 25 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2040-8978 EI 2040-8986 J9 J OPTICS-UK JI J. Opt. PD JUN PY 2016 VL 18 IS 6 AR 063003 DI 10.1088/2040-8978/18/6/063003 PG 27 WC Optics SC Optics GA DO8WC UT WOS:000378065100004 ER PT J AU Waltar, AE Brooks, AL Cuttler, JM Feinendegen, LE Gonzalez, AJ Morgan, WF AF Waltar, Alan E. Brooks, Antone L. Cuttler, Jerry M. Feinendegen, Ludwig E. Gonzalez, Abel J. Morgan, William F. TI The high price of public fear of low-dose radiation SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Letter C1 [Waltar, Alan E.] Amer Nucl Soc, Peshastin, WA USA. [Brooks, Antone L.] DOE Low Dose Radiat Res Program, Washington, DC USA. [Cuttler, Jerry M.] Canadian Nucl Soc, Toronto, ON, Canada. [Feinendegen, Ludwig E.] Univ Dusseldorf, Nucl Med, Dusseldorf, Germany. [Gonzalez, Abel J.] United Nations Sci Comm Effects Atom Radiat, Buenos Aires, DF, Argentina. [Morgan, William F.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Feinendegen, Ludwig E.] Brookhaven Natl Lab, BECS Dept, Upton, NY 11973 USA. RP Brooks, AL (reprint author), DOE Low Dose Radiat Res Program, Washington, DC USA. EM tbrooks@tricity.wsu.edu NR 0 TC 1 Z9 1 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0952-4746 EI 1361-6498 J9 J RADIOL PROT JI J. Radiol. Prot. PD JUN PY 2016 VL 36 IS 2 BP 387 EP 387 DI 10.1088/0952-4746/36/2/387 PG 1 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DP0JR UT WOS:000378176600037 ER PT J AU Harrison, JD Leggett, RW AF Harrison, J. D. Leggett, R. W. TI Appropriate selection of dose coefficients in radiological assessments: C-14 and Cl-36: response to the letter of G Smith and M Thorne (2015 J. Radiol. Prot. 35 737-40) SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Letter C1 [Harrison, J. D.] Oxford Brookes Univ, Fac Hlth & Life Sci, Oxford OX3 0BP, England. [Leggett, R. W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Harrison, JD (reprint author), Oxford Brookes Univ, Fac Hlth & Life Sci, Oxford OX3 0BP, England. EM john.harrison@phe.gov.uk; rwl@ornl.gov NR 12 TC 0 Z9 0 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0952-4746 EI 1361-6498 J9 J RADIOL PROT JI J. Radiol. Prot. PD JUN PY 2016 VL 36 IS 2 BP 388 EP 390 DI 10.1088/0952-4746/36/2/388 PG 3 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DP0JR UT WOS:000378176600038 ER PT J AU Zhao, Y Zhang, Z Gai, W Du, Y Cao, S Qiu, J Zhao, Q Cheng, R Zhou, X Ren, J Huang, W Tang, C Xu, H Zhan, W AF Zhao, Y. Zhang, Z. Gai, W. Du, Y. Cao, S. Qiu, J. Zhao, Q. Cheng, R. Zhou, X. Ren, J. Huang, W. Tang, C. Xu, H. Zhan, W. TI High energy electron radiography scheme with high spatial and temporal resolution in three dimension based on a e-LINAC SO LASER AND PARTICLE BEAMS LA English DT Article DE Electron radiography; High energy density; High spatial resolution; High temporal resolution; Inertial confinement fusion ID PROTON MICROSCOPY; FACILITY AB We present a scheme of electron beam radiography to dynamically diagnose the high energy density (HED) matter in three orthogonal directions simultaneously based on electron Linear Accelerator. The dynamic target information such as, its profile and density could be obtained through imaging the scattered electron beam passing through the target. Using an electron bunch train with flexible time structure, a very high temporal evolution could be achieved. In this proposed scheme, it is possible to obtain 10(10) frames/second in one experimental event, and the temporal resolution can go up to 1 ps, spatial resolution to 1 mu m. Successful demonstration of this concept will have a major impact for both future inertial confinement fusion science and HED physics research. C1 [Zhao, Y.; Zhang, Z.; Cao, S.; Zhao, Q.; Cheng, R.; Zhou, X.; Ren, J.; Xu, H.; Zhan, W.] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. [Zhao, Y.; Zhang, Z.; Cao, S.; Zhao, Q.; Cheng, R.; Zhou, X.; Ren, J.; Xu, H.; Zhan, W.] Xi An Jiao Tong Univ, Xian 710049, Peoples R China. [Gai, W.; Qiu, J.; Huang, W.; Tang, C.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Gai, W.; Du, Y.] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. RP Zhao, Y (reprint author), Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China.; Zhao, Y (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zhaoyongtao@xjtu.edu.cn; wg@anl.gov FU US Department of Energy [DE-AC02-06CH11357]; Education Bureau of Shaanxi Province, China [2010JK895]; Scientific Research Program - Shaanxi Provincial Education Department [15JK1793]; National Natural Science Foundation of China [11435015, 11375138, U1532263, 11505251, 11505248, 11275241] FX We acknowledge useful discussions with Joe Kwan of LBL, Andrew NG from UBC, Paul Schoessow from Euclid Techlabs, Frank Miller from LANL, Siegfried Glenzer from SLAC and Dieter Hoffmann from TU Darmstadt. Special thanks to W. Liu of ANL for providing the EGS4 simulations. This work is partially supported by the US Department of Energy under contract No. DE-AC02-06CH11357, Scientific Research Program of Education Bureau of Shaanxi Province, China (Grant No. 2010JK895), Scientific Research Program Funded by Shaanxi Provincial Education Department (Program No. 15JK1793), and National Natural Science Foundation of China (No.11435015, No. 11375138, No. U1532263, No. 11505251, No.11505248 No. 11275241,) NR 23 TC 0 Z9 0 U1 5 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 EI 1469-803X J9 LASER PART BEAMS JI Laser Part. Beams PD JUN PY 2016 VL 34 IS 2 BP 338 EP 342 DI 10.1017/S0263034616000124 PG 5 WC Physics, Applied SC Physics GA DP2XZ UT WOS:000378358100015 ER PT J AU Lim, H Battaile, CC Brown, JL Weinberger, CR AF Lim, Hojun Battaile, Corbett C. Brown, Justin L. Weinberger, Christopher R. TI Physically-based strength model of tantalum incorporating effects of temperature, strain rate and pressure SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE tantalum; strain rate; temperature; pressure; Taylor impact; kink-pair theory ID CENTERED-CUBIC METALS; MECHANICAL THRESHOLD STRESS; MOLYBDENUM SINGLE-CRYSTALS; RATE DEPENDENT YIELD; CYLINDER IMPACT TEST; TENSILE FLOW-STRESS; PURITY ALPHA-IRON; PLASTIC-DEFORMATION; BCC METALS; CONSTITUTIVE MODEL AB In this work, we develop a tantalum strength model that incorporates effects of temperature, strain rate and pressure. Dislocation kink-pair theory is used to incorporate temperature and strain rate effects while the pressure dependent yield is obtained through the pressure dependent shear modulus. Material constants used in the model are parameterized from tantalum single crystal tests and polycrystalline ramp compression experiments. It is shown that the proposed strength model agrees well with the temperature and strain rate dependent yield obtained from polycrystalline tantalum experiments. Furthermore, the model accurately reproduces the pressure dependent yield stresses up to 250 GPa. The proposed strength model is then used to conduct simulations of a Taylor cylinder impact test and validated with experiments. This approach provides a physically-based multi-scale strength model that is able to predict the plastic deformation of polycrystalline tantalum through a wide range of temperature, strain and pressure regimes. C1 [Lim, Hojun; Battaile, Corbett C.] Sandia Natl Labs, Dept Computat Mat & Data Sci, POB 5800, Albuquerque, NM 87185 USA. [Brown, Justin L.] Sandia Natl Labs, Dept Dynam Mat Properties, POB 5800, Albuquerque, NM 87185 USA. [Weinberger, Christopher R.] Drexel Univ, Dept Mech Engn & Mech, Philadelphia, PA 19104 USA. RP Lim, H (reprint author), Sandia Natl Labs, Dept Computat Mat & Data Sci, POB 5800, Albuquerque, NM 87185 USA. EM hnlim@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 63 TC 2 Z9 2 U1 4 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2016 VL 24 IS 5 AR 055018 DI 10.1088/0965-0393/24/5/055018 PG 14 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DP1ZX UT WOS:000378289000018 ER PT J AU Liu, B Arsenlis, A Aubry, S AF Liu, B. Arsenlis, A. Aubry, S. TI Computing forces on interface elements exerted by dislocations in an elastically anisotropic crystalline material SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE dislocation dynamics; anisotropic elasticity; finite domain; interface traction integration; analytical solution ID BOUNDARY-VALUE PROBLEM; ANGLE GRAIN-BOUNDARY; IMAGE FORCE; LATTICE DISLOCATION; SINGLE-CRYSTAL; DYNAMICS; PLASTICITY; DEFORMATION; MODEL; METALS AB Driven by the growing interest in numerical simulations of dislocation-interface interactions in general crystalline materials with elastic anisotropy, we develop algorithms for the integration of interface tractions needed to couple dislocation dynamics with a finite element or boundary element solver. The dislocation stress fields in elastically anisotropic media are made analytically accessible through the spherical harmonics expansion of the derivative of Green's function, and analytical expressions for the forces on interface elements are derived by analytically integrating the spherical harmonics series recursively. Compared with numerical integration by Gaussian quadrature, the newly developed analytical algorithm for interface traction integration is highly beneficial in terms of both computation precision and speed. C1 [Liu, B.; Arsenlis, A.; Aubry, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Liu, B (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM bingliu@llnl.gov RI Liu, Bing/F-8467-2011 OI Liu, Bing/0000-0002-2508-7013 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Army Research Laboratory [W911NF-12-2-0022] FX We thank S Queyreau for helpful discussions. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Research was sponsored by the Army Research Laboratory and was accomplished under Cooperative Agreement Number W911NF-12-2-0022. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Army Research Laboratory or the US Government. The US Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation herein. NR 52 TC 1 Z9 1 U1 4 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2016 VL 24 IS 5 AR 055013 DI 10.1088/0965-0393/24/5/055013 PG 18 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DP1ZX UT WOS:000378289000013 ER PT J AU Grygoryev, D Gauny, S Lasarev, M Ohlrich, A Kronenberg, A Turker, MS AF Grygoryev, Dmytro Gauny, Stacey Lasarev, Michael Ohlrich, Anna Kronenberg, Amy Turker, Mitchell S. TI Charged particle mutagenesis at low dose and fluence in mouse splenic T cells SO MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS LA English DT Article DE Splenic T cells; Charged particle mutagenesis; Aprt mutation; Radiation signature mutations ID DELTA TRANSGENIC MOUSE; ION-INDUCED MUTATIONS; IONIZING-RADIATION; IN-VIVO; AUTOSOMAL MUTATIONS; GAMMA-RADIATION; HEAVY-ION; KIDNEY EPITHELIUM; SPACE EXPLORATION; SOLID TISSUES AB High-energy heavy charged particles (HZE ions) found in the deep space environment can significantly affect human health by inducing mutations and related cancers. To better understand the relation between HZE ion exposure and somatic mutation, we examined cell survival fraction, Aprt mutant frequencies, and the types of mutations detected for mouse splenic T cells exposed in vivo to graded doses of densely ionizing Ti-48 ions (1 GeV/amu, LET = 107 keV/mu m), Fe-56 ions (1 GeV/amu, LET = 151 keV/mu m) ions, or sparsely ionizing protons (1 GeV, LET = 0.24 keV/mu m). The lowest doses for Ti-48 and Fe-56 ions were equivalent to a fluence of approximately 1 or 2 particle traversals per nucleus. Inmost cases, Aprt mutant frequencies in the irradiated mice were not significantly increased relative to the controls for any of the particles or doses tested at the pre-determined harvest time (3-5 months after irradiation). Despite the lack of increased Aprt mutant frequencies in the irradiated splenocytes, a molecular analysis centered on chromosome 8 revealed the induction of radiation signature mutations (large interstitial deletions and complex mutational patterns), with the highest levels of induction at 2 particles nucleus for the Ti-48 and Fe-56 ions. In total, the results show that densely ionizing HZE ions can induce characteristic mutations in splenic T cells at low fluence, and that at least a subset of radiation-induced mutant cells are stably retained despite the apparent lack of increased mutant frequencies at the time of harvest. (C) 2016 Elsevier B.V. All rights reserved. C1 [Grygoryev, Dmytro; Lasarev, Michael; Ohlrich, Anna; Turker, Mitchell S.] Oregon Hlth & Sci Univ, Oregon Inst Occupat Hlth Sci, 3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA. [Gauny, Stacey; Kronenberg, Amy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA. [Turker, Mitchell S.] Oregon Hlth & Sci Univ, Mol & Med Genet, Portland, OR 97239 USA. RP Turker, MS (reprint author), Oregon Hlth & Sci Univ, Oregon Inst Occupat Hlth Sci, 3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA. EM turkerm@ohsu.edu OI Lasarev, Michael R/0000-0002-1896-2705 FU NASA [NNX10AC12G, NNX14AC97G] FX The authors thank Adam Rusek, Peter Guida, Paul Wilson, Mary Ann Petry and their colleagues for support provided for the experiments at Brookhaven National Laboratory. This work was supported by NASA grants NNX10AC12G and NNX14AC97G. NR 47 TC 1 Z9 1 U1 3 U2 4 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 JUN PY 2016 VL 788 BP 32 EP 40 DI 10.1016/j.mrfmmm.2016.03.004 PG 9 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology GA DP0LV UT WOS:000378182200007 PM 27055360 ER PT J AU Banerjee, D Simon, CM Plonka, AM Motkuri, RK Liu, J Chen, XY Smit, B Parise, JB Haranczyk, M Thallapally, PK AF Banerjee, Debasis Simon, Cory M. Plonka, Anna M. Motkuri, Radha K. Liu, Jian Chen, Xianyin Smit, Berend Parise, John B. Haranczyk, Maciej Thallapally, Praveen K. TI Metal-organic framework with optimally selective xenon adsorption and separation SO NATURE COMMUNICATIONS LA English DT Article ID NOBLE-GAS ADSORPTION; CRYSTALLINE POROUS MATERIALS; COMMENSURATE ADSORPTION; COORDINATION POLYMERS; FORCE-FIELD; RARE-GASES; CAPTURE; ENERGY; SIMULATIONS; DESIGN AB Nuclear energy is among the most viable alternatives to our current fossil fuel-based energy economy. The mass deployment of nuclear energy as a low-emissions source requires the reprocessing of used nuclear fuel to recover fissile materials and mitigate radioactive waste. A major concern with reprocessing used nuclear fuel is the release of volatile radionuclides such as xenon and krypton that evolve into reprocessing facility off-gas in parts per million concentrations. The existing technology to remove these radioactive noble gases is a costly cryogenic distillation; alternatively, porous materials such as metal-organic frameworks have demonstrated the ability to selectively adsorb xenon and krypton at ambient conditions. Here we carry out a high-throughput computational screening of large databases of metal-organic frameworks and identify SBMOF-1 as the most selective for xenon. We affirm this prediction and report that SBMOF-1 exhibits by far the highest reported xenon adsorption capacity and a remarkable Xe/Kr selectivity under conditions pertinent to nuclear fuel reprocessing. C1 [Banerjee, Debasis; Thallapally, Praveen K.] Pacific NW Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. [Simon, Cory M.; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biochem Engn, Berkeley, CA 94720 USA. [Plonka, Anna M.; Parise, John B.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Motkuri, Radha K.; Liu, Jian] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Chen, Xianyin; Parise, John B.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Smit, Berend] EPFL, Inst Sci & Ingn Chim, Rue Ind 17, CH-1951 Sion, Switzerland. [Parise, John B.] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA. [Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Haranczyk, Maciej] IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.; Smit, B (reprint author), Univ Calif Berkeley, Dept Chem & Biochem Engn, Berkeley, CA 94720 USA.; Smit, B (reprint author), EPFL, Inst Sci & Ingn Chim, Rue Ind 17, CH-1951 Sion, Switzerland.; Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.; Haranczyk, M (reprint author), IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain. EM Berend-Smit@berkeley.edu; mharanczyk@lbl.gov; Praveen.thallapally@pnnl.gov RI Smit, Berend/B-7580-2009; Motkuri, Radha/F-1041-2014; Liu, Jian/D-3393-2009; OI Smit, Berend/0000-0003-4653-8562; Motkuri, Radha/0000-0002-2079-4798; Liu, Jian/0000-0001-5329-7408; Thallapally, Praveen Kumar/0000-0001-7814-4467; Simon, Cory/0000-0002-8181-9178 FU US DOE, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program; DOE [DE-AC05-06OR23100]; Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - US DOE, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; Center for Applied Mathematics for Energy Research Applications (CAMERA); U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the US DOE [DE-AC02-05CH11231]; National Science Foundation [DMR-1231586, CHE-0840483]; US DOE [DE-AC05-76RL01830] FX We (PNNL) acknowledge US Department of Energy (DOE), Office of Nuclear Energy for synthesis, Xe/Kr adsorption, kinetics and breakthrough measurements. C.M.S. is supported by the US DOE, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program. The SCGSR program is administered by the Oak Ridge Institute for Science and Education for the DOE under Contract No. DE-AC05-06OR23100. B.S. is supported by the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the US DOE, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0001015. M.H. was supported by the Center for Applied Mathematics for Energy Research Applications (CAMERA), funded by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US DOE under Contract No. DE-AC02-05CH11231. A.M.P., X.C. and J.B.P. were supported by the National Science Foundation DMR-1231586 and CHE-0840483. P.K.T. would like to acknowledge Dr Terry Todd at Idaho National Laboratory, Dr Robert Jubin at Oakridge National Laboratory, Dr Denis Strachan, Dr John Vienna at PNNL, Kimberly Gray (DOE-NE HQ) and Jim Breese (DOE-NE HQ) for programmatic support. PNNL is a multi-program national laboratory operated for the US DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 56 TC 10 Z9 10 U1 38 U2 72 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11831 DI 10.1038/ncomms11831 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP3IU UT WOS:000378387300001 ER PT J AU Mielenz, M Kalis, H Wittemer, M Hakelberg, F Warring, U Schmied, R Blain, M Maunz, P Moehring, DL Leibfried, D Schaetz, T AF Mielenz, Manuel Kalis, Henning Wittemer, Matthias Hakelberg, Frederick Warring, Ulrich Schmied, Roman Blain, Matthew Maunz, Peter Moehring, David L. Leibfried, Dietrich Schaetz, Tobias TI Arrays of individually controlled ions suitable for two-dimensional quantum simulations SO NATURE COMMUNICATIONS LA English DT Article ID TRAPPED ATOMIC IONS; COMPUTER; STATES AB A precisely controlled quantum system may reveal a fundamental understanding of another, less accessible system of interest. A universal quantum computer is currently out of reach, but an analogue quantum simulator that makes relevant observables, interactions and states of a quantum model accessible could permit insight into complex dynamics. Several platforms have been suggested and proof-of-principle experiments have been conducted. Here, we operate two-dimensional arrays of three trapped ions in individually controlled harmonic wells forming equilateral triangles with side lengths 40 and 80 mm. In our approach, which is scalable to arbitrary two-dimensional lattices, we demonstrate individual control of the electronic and motional degrees of freedom, preparation of a fiducial initial state with ion motion close to the ground state, as well as a tuning of couplings between ions within experimental sequences. Our work paves the way towards a quantum simulator of two-dimensional systems designed at will. C1 [Mielenz, Manuel; Kalis, Henning; Wittemer, Matthias; Hakelberg, Frederick; Warring, Ulrich; Schaetz, Tobias] Univ Freiburg, Inst Phys, Hermann Herder Str 3, D-79104 Freiburg, Germany. [Schmied, Roman] Univ Basel, Dept Phys, Klingelbergstr 82, CH-4056 Basel, Switzerland. [Blain, Matthew; Maunz, Peter; Moehring, David L.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Leibfried, Dietrich] NIST, Div Time & Frequency, 325 Broadway, Boulder, CO 80305 USA. [Schaetz, Tobias] Univ Freiburg, Freiburg Inst Adv Studies, Albertstr 19, D-79104 Freiburg, Germany. [Moehring, David L.] Intelligence Adv Res Projects Act, College Pk, MD USA. RP Warring, U (reprint author), Univ Freiburg, Inst Phys, Hermann Herder Str 3, D-79104 Freiburg, Germany. EM ulrich.warring@physik.uni-freiburg.de OI Schmied, Roman/0000-0001-5713-5262 FU DFG [SCHA 972/6-1]; US Department of EnergyOs National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by DFG (SCHA 972/6-1). Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of EnergyOs National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. All statements of fact, opinion or analysis expressed in this paper are those of the authors and do not necessarily reflect the official positions or views of the Office of the Director of National Intelligence (ODNI) or the Intelligence Advanced Research Projects Activity. We thank J. Denter for technical assistance. Further, we are grateful for helpful comments on the manuscript given by S. Todaro, K. McCormick and Y. Minet. NR 58 TC 4 Z9 4 U1 3 U2 5 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11839 DI 10.1038/ncomms11839 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP3IW UT WOS:000378387500001 ER PT J AU Hagen, G Hjorth-Jensen, M Jansen, GR Papenbrock, T AF Hagen, G. Hjorth-Jensen, M. Jansen, G. R. Papenbrock, T. TI Emergent properties of nuclei from ab initio coupled-cluster calculations SO PHYSICA SCRIPTA LA English DT Editorial Material DE ab initio computations of nuclei; saturation; effects of continuum on unbound states; deformation ID EFFECTIVE-FIELD THEORY; CORE SHELL-MODEL; LIGHT-NUCLEI; HALO NUCLEI; STATES; SCATTERING; PHYSICS; FORCES; MASS; LAGRANGIANS AB Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. This endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. This paper reviews some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLOsat is shown to provide an accurate description of both charge radii and binding energies in selected light-and medium-mass nuclei up to Ni-56. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon-nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. The coupling to the continuum impacts the energies of the J(pi) = 1/2(-), 3/2(-), 7/2(-), 3/2(+) states in O-17,O-23,O-25, and-contrary to naive shell-model expectations-the level ordering of the J(pi) = 3/2(+), 5/2(+), 9/2(+) states in Ca-53,Ca-55,Ca-61. C1 [Hagen, G.; Jansen, G. R.; Papenbrock, T.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Hagen, G.; Papenbrock, T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Hjorth-Jensen, M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Hjorth-Jensen, M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Hjorth-Jensen, M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Jansen, G. R.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. RP Hagen, G (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.; Hagen, G (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM hageng@ornl.gov OI Jansen, Gustav R./0000-0003-3558-0968 NR 162 TC 4 Z9 4 U1 7 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD JUN PY 2016 VL 91 IS 6 AR 063006 DI 10.1088/0031-8949/91/6/063006 PG 14 WC Physics, Multidisciplinary SC Physics GA DO8OH UT WOS:000378042400006 ER PT J AU Book, AJ Lewin, GR McDonald, BR Takasuka, TE Wendt-Pienkowski, E Doering, DT Suh, S Raffa, KF Fox, BG Currie, CR AF Book, Adam J. Lewin, Gina R. McDonald, Bradon R. Takasuka, Taichi E. Wendt-Pienkowski, Evelyn Doering, Drew T. Suh, Steven Raffa, Kenneth F. Fox, Brian G. Currie, Cameron R. TI Evolution of High Cellulolytic Activity in Symbiotic Streptomyces through Selection of Expanded Gene Content and Coordinated Gene Expression SO PLOS BIOLOGY LA English DT Article ID LYTIC POLYSACCHARIDE MONOOXYGENASES; MULTIPLE SEQUENCE ALIGNMENT; FUNCTIONAL-CHARACTERIZATION; PHYLOGENETIC ANALYSIS; TRANSPORT-SYSTEM; BINDING-PROTEIN; FUNGAL GENOMES; RETICULI; SOIL; CELLULASES AB The evolution of cellulose degradation was a defining event in the history of life. Without efficient decomposition and recycling, dead plant biomass would quickly accumulate and become inaccessible to terrestrial food webs and the global carbon cycle. On land, the primary drivers of plant biomass deconstruction are fungi and bacteria in the soil or associated with herbivorous eukaryotes. While the ecological importance of plant-decomposing microbes is well established, little is known about the distribution or evolution of cellulolytic activity in any bacterial genus. Here we show that in Streptomyces, a genus of Actinobacteria abundant in soil and symbiotic niches, the ability to rapidly degrade cellulose is largely restricted to two clades of host-associated strains and is not a conserved characteristic of the Streptomyces genus or host-associated strains. Our comparative genomics identify that while plant biomass degrading genes (CAZy) are widespread in Streptomyces, key enzyme families are enriched in highly cellulolytic strains. Transcriptomic analyses demonstrate that cellulolytic strains express a suite of multi-domain CAZy enzymes that are coregulated by the CebR transcriptional regulator. Using targeted gene deletions, we verify the importance of a highly expressed cellulase (GH6 family cellobiohydrolase) and the CebR transcriptional repressor to the cellulolytic phenotype. Evolutionary analyses identify complex genomic modifications that drive plant biomass deconstruction in Streptomyces, including acquisition and selective retention of CAZy genes and transcriptional regulators. Our results suggest that host-associated niches have selected some symbiotic Streptomyces for increased cellulose degrading activity and that symbiotic bacteria are a rich biochemical and enzymatic resource for biotechnology. C1 [Book, Adam J.; Lewin, Gina R.; McDonald, Bradon R.; Takasuka, Taichi E.; Wendt-Pienkowski, Evelyn; Doering, Drew T.; Suh, Steven; Fox, Brian G.; Currie, Cameron R.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Book, Adam J.; Lewin, Gina R.; McDonald, Bradon R.; Wendt-Pienkowski, Evelyn; Doering, Drew T.; Suh, Steven; Currie, Cameron R.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Takasuka, Taichi E.; Fox, Brian G.] Univ Wisconsin, Dept Biochem, 420 Henry Mall, Madison, WI 53705 USA. [Raffa, Kenneth F.] Univ Wisconsin, Dept Entomol, Madison, WI 53706 USA. [Takasuka, Taichi E.] Hokkaido Univ, Res Fac Agr, Sapporo, Hokkaido, Japan. RP Currie, CR (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. EM currie@bact.wisc.edu OI Doering, Drew/0000-0003-1884-9902 FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; National Science Foundation [GRFP DGE-1256259, MCB-0702025]; National Institutes of Health (National Research Service Award) [T32 GM07215]; Career grant [NSF DEB-0747002]; USDA NRI [2008-02438]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was partially funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494). Funding for G.R.L. was provided by the National Science Foundation (GRFP DGE-1256259) and the National Institutes of Health (National Research Service Award T32 GM07215). Funding for C.R.C. was partially provided by a Career grant (NSF DEB-0747002) and a National Science Foundation grant (MCB-0702025). Funding for K.F.R. was provided by USDA NRI (2008-02438). 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. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 82 TC 5 Z9 5 U1 8 U2 21 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1545-7885 J9 PLOS BIOL JI PLoS. Biol. PD JUN PY 2016 VL 14 IS 6 AR e1002475 DI 10.1371/journal.pbio.1002475 PG 21 WC Biochemistry & Molecular Biology; Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics GA DP6MM UT WOS:000378611200005 PM 27276034 ER PT J AU Li, ZX Wang, F Yao, H Lee, DH AF Li, Zi-Xiang Wang, Fa Yao, Hong Lee, Dung-Hai TI What makes the T-c of monolayer FeSe on SrTiO3 so high: a sign-problem-free quantum Monte Carlo study SO SCIENCE BULLETIN LA English DT Article DE High temperature superconductivity; Pairing mechanism; Iron-based superconductivity; FeSe/STO; Sign-problem-free quantum Monte-Carlo simulation ID SINGLE-LAYER FESE; HIGH-TEMPERATURE SUPERCONDUCTIVITY; IRON CHALCOGENIDES; ELECTRONIC ORIGIN; PHASE-DIAGRAM; DOPED SRTIO3; THIN-FILMS; 65 K; ANTIFERROMAGNETISM; PNICTIDES AB Monolayer FeSe films grown on SrTiO3 (STO) substrate show superconducting gap-opening temperatures (T-c) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy observed "replica bands" suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for T-c enhancement mechanisms in iron-based, especially iron-chalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte Carlo simulations to iron-based superconductors. We (1) study the electronic pairing mechanism intrinsic to heavily electron doped FeSe films, and (2) examine the effects of electron-phonon interaction between FeSe and STO as well as nematic fluctuations on T-c. Armed with these results, we return to the question "what makes the T-c of monolayer FeSe on SrTiO3 so high?" in the conclusion and discussions. C1 [Li, Zi-Xiang; Yao, Hong] Tsinghua Univ, Inst Adv Study, Beijing 100084, Peoples R China. [Wang, Fa] Peking Univ, Sch Phys, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. [Wang, Fa; Yao, Hong] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. [Lee, Dung-Hai] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Lee, Dung-Hai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yao, H (reprint author), Tsinghua Univ, Inst Adv Study, Beijing 100084, Peoples R China.; Lee, DH (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM yaohong@tsinghua.edu.cn; dunghai@berkeley.edu RI Yao, Hong/D-3202-2011; Wang, Fa/D-3817-2015 OI Yao, Hong/0000-0003-2867-6144; Wang, Fa/0000-0002-6220-5349 FU National Thousand Young-Talents Program; National Natural Science Foundation of China [11474175, 11374018]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231] FX We would like to thank the National Supercomputer Center in Guangzhou for computational support. ZXL and HY were supported in part by the National Thousand Young-Talents Program and the National Natural Science Foundation of China (11474175). FW was supported by the National Natural Science Foundation of China (11374018). DHL was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, Grant DE-AC02-05CH11231. NR 45 TC 13 Z9 13 U1 9 U2 19 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 2095-9273 EI 2095-9281 J9 SCI BULL JI Sci. Bull. PD JUN PY 2016 VL 61 IS 12 BP 925 EP 930 DI 10.1007/s11434-016-1087-x PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DP2DJ UT WOS:000378298000005 PM 27398243 ER PT J AU Zhao, H Fu, YB Ling, M Jia, Z Song, XY Chen, ZH Lu, J Amine, K Liu, G AF Zhao, Hui Fu, Yanbao Ling, Min Jia, Zhe Song, Xiangyun Chen, Zonghai Lu, Jun Amine, Khalil Liu, Gao TI Conductive Polymer Binder-Enabled SiO-SnxCoyCz Anode for High-Energy Lithium-Ion Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE lithium-ion battery; high capacity anode; conductive polymer binder; prelithiation; practical application ID SENSITIZED SOLAR-CELL; HIGH-CAPACITY; NEGATIVE ELECTRODE; SILICA NANOPARTICLES; PERFORMANCE; DESIGN; PARTICLES; LI AB A SiOSnCoC composite anode is assembled using a conductive polymer binder for the application in next-generation high energy density lithium-ion batteries. A specific capacity of 700 mAh/g is achieved at a 1C (900 mA/g) rate. A high active material loading anode with an areal capacity of 3.5 mAh/cm(2) is demonstrated by mixing SiOSnCoC with graphite. To compensate for the lithium loss in the first cycle, stabilized lithium metal powder (SLMP) is used for prelithiation; when paired with a commercial cathode, a stable full cell cycling performance with a 86% first cycle efficiency is realized. By achieving these important metrics toward a practical application, this conductive polymer binder/SiOSnCoC anode system presents great promise to enable the next generation of high-energy lithium-ion batteries. C1 [Zhao, Hui; Fu, Yanbao; Ling, Min; Jia, Zhe; Song, Xiangyun; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Energy Mat Grp, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. [Chen, Zonghai; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chicago, IL 60439 USA. RP Liu, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Energy Mat Grp, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. EM gliu@lbl.gov FU Vehicle Technologies Office of the U.S. Department of Energy (U.S. DOE); Director Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05 CH11231] FX This work was funded by the Assistant Secretary for Energy Efficiency, Vehicle Technologies Office of the U.S. Department of Energy (U.S. DOE) under the Advanced Battery Materials Research (BMR) and Applied Battery Research (ABR) Programs. TEM is performed at the National Center for Electron Microscopy. All these projects and facilities are supported by the Director Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy, under Contract # DE-AC02-05 CH11231. NR 29 TC 1 Z9 1 U1 14 U2 42 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 JUN 1 PY 2016 VL 8 IS 21 BP 13373 EP 13377 DI 10.1021/acsami.6b00312 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA DN5ZM UT WOS:000377150400021 PM 27160017 ER PT J AU Desanker, M Johnson, B Seyam, AM Chung, YW Bazzi, HS Delferro, M Marks, TJ Wang, QJ AF Desanker, Michael Johnson, Blake Seyam, Afif M. Chung, Yip-Wah Bazzi, Hassan S. Delferro, Massimiliano Marks, Tobin J. Wang, Q. Jane TI Oil-Soluble Silver-Organic Molecule for in Situ Deposition of Lubricious Metallic Silver at High Temperatures SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE silver complex; lubrication additive; friction reduction; oil degradation; lubrication ID AUTOMOBILE ENGINE TRIBOLOGY; COATED AG NANOPARTICLES; SURFACE; CONTACT; COMPLEXES; PRECURSORS; LUBRICANTS; ADDITIVES; MODEL; FILMS AB A major challenge in lubrication technology is to enhance lubricant performance at extreme temperatures that exceed conventional engine oil thermal degradation limits. Soft noble metals such as silver have low reactivity and shear strength, which make them ideal solid lubricants for wear protection and friction reduction between contacting surfaces at high temperatures. However, achieving adequate-dispersion in engine lubricants and metallic silver deposition over predetermined temperatures ranges presents a significant chemical challenge. Here we report the synthesis, characterization, and tribological implementation of the trimeric silver pyrazolate complex, [Ag(3,5-dimethyl-4-n-hexyl-pyrazolate)](3) (1). This complex is oil-soluble and undergoes clean thermolysis at similar to 310 degrees C to deposit lubricious, protective metallic silver particles on metal/metal oxide surfaces. Temperature-controlled tribometer tests show that greater than 1 wt % loading of 1. reduces wear by 60% in PAO4, a poly-alpha-olefin lubricant base fluid, and by 70% in a commercial fully formulated 15W40 motor oil (FF oil). This silver-organic complex also imparts sufficient friction reduction so that the tribological transition from oil as the primary lubricant through its thermal degradation, to 1 as the primary lubricant, is experimentally undetectable. C1 [Desanker, Michael; Delferro, Massimiliano; Marks, Tobin J.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Johnson, Blake; Wang, Q. Jane] Northwestern Univ, Dept Mech Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Chung, Yip-Wah; Marks, Tobin J.] Northwestern Univ, Dept Mat Sci & Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Seyam, Afif M.; Bazzi, Hassan S.] Texas A&M Univ, Dept Chem, POB 23874, Doha, Qatar. [Delferro, Massimiliano] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. RP Delferro, M; Marks, TJ (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Wang, QJ (reprint author), Northwestern Univ, Dept Mech Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Chung, YW; Marks, TJ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Delferro, M (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM ywchung@northwestern.edu; delferro@anl.gov; t-marks@northwestern.edu; qwang@northwestern.edu RI Wang, Qian/B-7611-2009; Chung, Yip-Wah/B-7506-2009; OI Delferro, Massimiliano/0000-0002-4443-165X FU National Priorities Research Program (NPRP) of the Qatar National Research Fund (a member of the Qatar Foundation) [5-192-1-046]; Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program; National Science Foundation [CHE-1048773, CHE-0923236]; MRSEC program at the Materials Research Center of the National Science Foundation [NSF DMR-1121262]; Nanoscale Science and Engineering Center of the National Science Foundation [EEC-0118025/003] FX The authors gratefully acknowledge support by the National Priorities Research Program (NPRP Grant No. 5-192-1-046) of the Qatar National Research Fund (a member of the Qatar Foundation). The statements made herein are solely the responsibility of the author(s). M.D. was supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program. Purchases of the NMR and MS instrumentation at IMSERC was supported by the National Science Foundation (CHE-1048773 and CHE-0923236, respectively). Microscopy studies made use of the EPIC facility (NUANCE Center Northwestern University), which has received support from the MRSEC program (NSF DMR-1121262) at the Materials Research Center, and the Nanoscale Science and Engineering Center (EEC-0118025/003), both programs of the National Science Foundation, the State of Illinois, and Northwestern University. The authors gratefully acknowledge Prof. H. Goudarzi for assistance with the LIFDI-MS analysis and M. M. Stalzer for assistance with the DOSY NMR experiments. NR 42 TC 1 Z9 1 U1 11 U2 17 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 JUN 1 PY 2016 VL 8 IS 21 BP 13637 EP 13645 DI 10.1021/acsami.6b01597 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA DN5ZM UT WOS:000377150400053 PM 27163783 ER PT J AU Dunn-Sale, AJ Bratlie, KM AF Dunn-Sale, Alexander J. Bratlie, Kaitlin M. TI Identifying Factors of Microparticles Modified with Arginine Derivatives That Induce Phenotypic Shifts in Macrophages SO ACS BIOMATERIALS SCIENCE & ENGINEERING LA English DT Article DE macrophage phenotypes; TNF-alpha; polymer properties ID COLONY-STIMULATING FACTOR; NITRIC-OXIDE SYNTHASE; IN-VITRO; IMMUNE-RESPONSES; ALTERNATIVE ACTIVATION; CYTOKINE SECRETION; POLYMER CHEMISTRY; L-CARNITINE; IFN-GAMMA; POLARIZATION AB Macrophages are key players in the progressiori of many diseases, ranging from rheumatoid arthritis to cancer. Drug delivery systems have the potential not only to transport payloads to diseased tissue but also to influence cell behavior. Here, poly(N-isopropylacrylamide-co-acrylic acid) (pNIPAm-coAAc) microparticles were modified with 14 different arginine derivatives. These particles were then incubated with interleukin-4 or lipopolysaccharide-stimulated macrophages or naive macrophages (RAW 264.7). The phenotypic state of the macrophages was assessed by measuring arginase activity, tumor necrosis factor-alpha (TNF-alpha) secretion, and nitrite production. Partial least -squares analysis revealed material properties and descriptors that shifted the macrophage phenotype for the three cell conditions in this study. Material descriptors relting to secondary bonding were suggested to play a role in shifting phenotypes in all three macrophage culture conditions. These findings suggest that macrophage responses could be altered through drug delivery vehicles, and this method could be employed to assist in screening potential candidates. C1 [Dunn-Sale, Alexander J.; Bratlie, Kaitlin M.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Bratlie, Kaitlin M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Bratlie, Kaitlin M.] Ames Natl Lab, Ames, IA 50011 USA. RP Bratlie, KM (reprint author), Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA.; Bratlie, KM (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.; Bratlie, KM (reprint author), Ames Natl Lab, Ames, IA 50011 USA. EM kbratlie@iastate.edu FU National Science Foundation [CBET 1227867]; Roy J. Carver Charitable Trust [13-4265]; NSF ARI-R2 [CMMI-0963224] FX This work was supported by the National Science Foundation under Grant No. CBET 1227867 and the Roy J. Carver Charitable Trust Grant No. 13-4265. The authors also acknowledge support from NSF ARI-R2 (CMMI-0963224) for funding the renovation of the research laboratories used for these studies. NR 50 TC 1 Z9 1 U1 5 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2373-9878 J9 ACS BIOMATER SCI ENG JI ACS Biomater. Sci. Eng. PD JUN PY 2016 VL 2 IS 6 BP 946 EP 953 DI 10.1021/acsbiomaterials.6b00041 PG 8 WC Materials Science, Biomaterials SC Materials Science GA DO6WX UT WOS:000377925300008 ER PT J AU Ahmad, A Pfaffmann, G Ludtka, G Ludtka, G AF Ahmad, Aquil Pfaffmann, George Ludtka, Gail Ludtka, Gerard TI INDUCTION COUPLED THERMOMAGNETIC PROCESSING: A DISRUPTIVE TECHNOLOGY SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 [Ahmad, Aquil] Eaton Corp, Cleveland, OH USA. [Pfaffmann, George] Ajax Tocco Magnetherm, Madison Hts, MI USA. [Ludtka, Gail; Ludtka, Gerard] Oak Ridge Natl Lab, Oak Ridge, TN USA. EM ahmadaquil@sbc-global.net FU U.S. DOE [DE-FG36-08GO18131]; Eaton Corp.; Office of Energy Efficiency and Renewable Energy; DOE [DE-AC05-00OR22725]; DOE FX This report is based on research supported by the U.S. DOE under Award No. DE-FG36-08GO18131 with Eaton Corp. as the primary lead, using the Thermomagnetic Processing Facilities at ORNL, supported by the Office of Energy Efficiency and Renewable Energy.; This manuscript has been authored by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the DOE. The U.S. Government retains and the publisher, by accepting the article for publication, acknowledges that the 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 Government purposes. The DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (energy.gov/downloads/doe-public-access-plan). NR 3 TC 0 Z9 0 U1 1 U2 1 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 EI 2161-9425 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD JUN PY 2016 VL 174 IS 6 BP 35 EP 37 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA DO5UL UT WOS:000377848200010 ER PT J AU Rosenberg, M Eley, C AF Rosenberg, Michael Eley, Charles TI A Stable Whole Building Performance Method For Standard 90.1, Part 2 SO ASHRAE JOURNAL LA English DT Article AB In the May 2013 ASHRAE Journal, the authors described a new approach for compliance with ASHRAE/IES Standard 90.1 that was under development based on the Performance Rating Method of Appendix G to Standard 90.1.(1) Since then, the approach has been finalized through Addendum bm to Standard 90.1-2013 and will be published in the 2016 edition of the standard. In the meantime, ASHRAE has published an advanced copy of Appendix G including Addendum bm and several other addenda so that software developers and energy program administrators can get a preview of what is coming in the 2016 edition of the standard.(2) C1 [Rosenberg, Michael] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rosenberg, M (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. FU U.S. Department of Energy's Building Energy Codes Program FX Michael Rosenberg's participation on the ASHRAE Standard 90.1 committee is funded by the U.S. Department of Energy's Building Energy Codes Program. NR 6 TC 0 Z9 0 U1 2 U2 2 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 EI 1943-6637 J9 ASHRAE J JI ASHRAE J. PD JUN PY 2016 VL 58 IS 6 BP 28 EP 42 PG 15 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA DO8GP UT WOS:000378021500005 ER PT J AU Yue, FX Lu, FC Ralph, S Ralph, J AF Yue, Fengxia Lu, Fachuang Ralph, Sally Ralph, John TI Identification of 4-O-5-Units in Softwood Lignins via Definitive Lignin Models and NMR SO BIOMACROMOLECULES LA English DT Article ID MILLED WOOD LIGNIN; SOLUTION-STATE NMR; COMPRESSION WOOD; DFRC METHOD; THIOACIDOLYSIS; LIGNIFICATION; BIOSYNTHESIS; CHEMISTRY; IMPROVES; SPRUCE AB Lignins are complex and heterogeneous natural polymers in which the major units are characterized by certain prominent interunit linkages. Previous attempts to identify and quantify 4-O-5-linked units in softwood lignins by NMR were not successful. In this work, various lignin model compounds, including the tetramers formed by the 4-O-5-coupling of beta-O-4-, beta-beta, and beta-5-model dimers, were synthesized. Such compounds are better able to model the corresponding structures in lignins than those used previously. 4-O-5-Linked structures could be dearly observed and identified in real softwood lignin samples by comparison of their 2D HSQC NMR spectra with those from the model compounds. When comparing NMR data of phenol-acetylated versus phenoletherified model compounds with those of acetylated lignins, it was apparent that most of the 4-O-5-linked structures in softwood lignins are present as free-phenolic end units. C1 [Yue, Fengxia; Lu, Fachuang] S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53726 USA. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, Madison, WI 53726 USA. [Ralph, Sally] USDA, Forest Prod Lab, Madison, WI 53706 USA. RP Lu, FC (reprint author), S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China.; Lu, FC (reprint author), Univ Wisconsin, Dept Biochem, Madison, WI 53726 USA.; Lu, FC (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, Madison, WI 53726 USA. EM fachuanglu@wisc.edu FU China Scholarship Council, State Education Department; DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; Stanford University's Global Climate and Energy Project FX The authors would like to thank the China Scholarship Council, State Education Department, for supporting F.Y. as a visiting student in the Department of Biochemistry, the University of Wisconsin, and at the Great Lakes Bioenergy Research Center (GLBRC). This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science, DE-FC02-07ER64494) and in part by Stanford University's Global Climate and Energy Project. NR 38 TC 3 Z9 3 U1 14 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 EI 1526-4602 J9 BIOMACROMOLECULES JI Biomacromolecules PD JUN PY 2016 VL 17 IS 6 BP 1909 EP 1920 DI 10.1021/acs.biomac.6b00256 PG 12 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA DO6WS UT WOS:000377924800001 PM 27078826 ER PT J AU Hajighasemi, M Nocek, BP Tchigvintsev, A Brown, G Flick, R Xu, XH Cui, H Hai, T Joachimiak, A Golyshin, PN Savchenko, A Edwards, EA Yakunin, AF AF Hajighasemi, Mahbod Nocek, Boguslaw P. Tchigvintsev, Anatoli Brown, Greg Flick, Robert Xu, Xiaohui Cui, Hong Hai, Tran Joachimiak, Andrzej Golyshin, Peter N. Savchenko, Alexei Edwards, Elizabeth A. Yakunin, Alexander F. TI Biochemical and Structural Insights into Enzymatic Depolymerization of Polylactic Acid and Other Polyesters by Microbial Carboxylesterases SO BIOMACROMOLECULES LA English DT Article ID ALPHA/BETA-HYDROLASE FOLD; ATOMIC-FORCE MICROSCOPY; LOW-MOLECULAR-WEIGHT; AMYCOLATOPSIS SP; BIODEGRADABLE PLASTICS; POLY(L-LACTIDE) FILM; POLY(LACTIC ACID); DEGRADING ENZYME; LACTIC-ACID; DEGRADATION AB Polylactic acid (PLA) is a biodegradable polyester derived from renewable resources, which is a leading candidate for the replacement of traditional petroleum-based polymers. Since the global production of PLA is quickly growing, there is..an urgent need for the development of efficient recycling technologies, which will produce lactic acid instead of CO2 as the final product. After screening 90 purified microbial alpha/beta-hydrolases, we, identified 'hydrolytic activity against emulsified PLA in two uncharacterized proteins, ABO2449 from Alcanivorax borkumnsis and RPA1511 from Rhodopseudomonas palustris. Both enzymes were also active against emulsified polycaprolactone and other polyesters as well as against soluble alpha-naphthyl and p-nitrophenyl monoesters. In addition, both ABO2449 and RPA1511 catalyzed complete or extensive hydrolysis of solid PLA with the production of lactic acid monomers, dimers, and larger oligomers as products. The crystal structure of RPA1511 was determined at 2.2 A resolution and revealed a classical alpha/beta-hydrolase fold with a wide-operractive site containing a molecule of polyethylene glycol bound near the catalytic triad Ser114-His270-Asp242. Site-directed mutagenesis of both proteins demonstrated that the catalytic triad residues are important for the hydrolysis of both monoester and polyester substrates. We also identified several residues in RPA1511 (Gln172, Leu212, Met215, Trp218, and Leu220) and AB02449 (Phe38 and Leu152), winch were not essential for activity against soluble monoesters but were found to be critical for the hydrolysis of PIA. Out results indicate that microbial carboxyl esterases can efficiently hydrblyze various polyesters malting them attractive biocatalysts for plastics,depolymerization and recycling. C1 [Hajighasemi, Mahbod; Tchigvintsev, Anatoli; Brown, Greg; Flick, Robert; Xu, Xiaohui; Cui, Hong; Savchenko, Alexei; Edwards, Elizabeth A.; Yakunin, Alexander F.] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. [Nocek, Boguslaw P.; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Hai, Tran] Univ Bangor, Sch Biol Sci, Bangor LL57 2UW, Gwynedd, Wales. RP Edwards, EA; Yakunin, AF (reprint author), Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. EM elizabeth.edwards@utoronto.ca; a.iakounine@utoronto.ca OI Edwards, Elizabeth/0000-0002-8071-338X; Yakunin, Alexander/0000-0003-0813-6490; Golyshin, Peter/0000-0002-5433-0350 FU Government of Canada through Genome Canada; Ontario Genomics Institute [2009-OGI-ABC-1405]; Ontario Research Fund [ORF-GL2-01-004]; NSERC Strategic Network grant IBN; United States Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX We are grateful to Dr. Toshiaki Nakajima-Kambe (University of Tsukuba, Ibaraki, Japan) for providing the PLA depolymerase clone PlaM4 as well as Bionolle polybutylene succinate and polybutylene succinate-co-adipate substrates; to Dr. Craig Criddle and Dr. Weimin Wu (Stanford University, California) for providing commercial-grade polymers; to Dr. Jeong Chan Joo and Dr. Yong Hwan Kim (Kwangwoon University, Seoul, Republic of Korea) for providing the D-lactic dehydrogenase clone D-LDH3; and to Dr. Timothy P. Bender (Department of Chemical Engineering and Applied Chemistry, University of Toronto) for helping with gel permeation chromatography analysis. This work was supported by the Government of Canada through Genome Canada and the Ontario Genomics Institute (2009-OGI-ABC-1405), Ontario Research Fund (ORF-GL2-01-004), the NSERC Strategic Network grant IBN, and by the United States Department of Energy, Office of Biological and Environmental Research, under Contract No. DE-AC02-06CH11357 (to A.J.). NR 69 TC 3 Z9 3 U1 11 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 EI 1526-4602 J9 BIOMACROMOLECULES JI Biomacromolecules PD JUN PY 2016 VL 17 IS 6 BP 2027 EP 2039 DI 10.1021/acs.biomac.6b00223 PG 13 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA DO6WS UT WOS:000377924800013 PM 27087107 ER PT J AU Petljak, M Alexandrov, LB AF Petljak, Mia Alexandrov, Ludmil B. TI Understanding mutagenesis through delineation of mutational signatures in human cancer SO CARCINOGENESIS LA English DT Article ID ACUTE LYMPHOBLASTIC-LEUKEMIA; CELL LUNG-CANCER; IDENTIFIES RECURRENT MUTATIONS; CHRONIC LYMPHOCYTIC-LEUKEMIA; 21 BREAST CANCERS; PROSTATE-CANCER; SOMATIC MUTATIONS; GASTRIC-CANCER; DNA-DAMAGE; ESOPHAGEAL ADENOCARCINOMA AB In recent years, the concept of mutational signatures was introduced and deciphering of mutational signatures from thousands of cancer genomes has provided deep insights into DNA repair and mutagenesis. In this review, we summarize the current knowledge of mutational signatures.Each individual cell within a human body acquires a certain number of somatic mutations during a course of its lifetime. These mutations originate from a wide spectra of both endogenous and exogenous mutational processes that leave distinct patterns of mutations, termed mutational signatures, embedded within the genomes of all cells. In recent years, the vast amount of data produced by sequencing of cancer genomes was coupled with novel mathematical models and computational tools to generate the first comprehensive map of mutational signatures in human cancer. Up to date, > 30 distinct mutational signatures have been identified, and etiologies have been proposed for many of them. This review provides a brief historical background on examination of mutational patterns in human cancer, summarizes the knowledge accumulated since introducing the concept of mutational signatures and discusses their future potential applications and perspectives within the field. C1 [Petljak, Mia] Wellcome Trust Sanger Inst, Canc Genome Project, Wellcome Trust Genome Campus, Hinxton CB10 1SA, Cambs, England. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Theoret Biol & Biophys T 6, POB 1663, Los Alamos, NM 87545 USA. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87545 USA. [Alexandrov, Ludmil B.] Univ New Mexico, Ctr Comprehens Canc, Albuquerque, NM 87102 USA. RP Alexandrov, LB (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys T 6, POB 1663, Los Alamos, NM 87545 USA.; Alexandrov, LB (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87545 USA.; Alexandrov, LB (reprint author), Univ New Mexico, Ctr Comprehens Canc, Albuquerque, NM 87102 USA. EM lba@lanl.gov OI Alexandrov, Ludmil/0000-0003-3596-4515 FU J. Robert Oppenheimer Fellowship at Los Alamos National Laboratory; National Nuclear Security Administration of the United States Department of Energy FX L.B.A. is personally supported through a J. Robert Oppenheimer Fellowship at Los Alamos National Laboratory. Research performed at Los Alamos National Laboratory was carried out under the auspices of the National Nuclear Security Administration of the United States Department of Energy. NR 114 TC 1 Z9 1 U1 5 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0143-3334 EI 1460-2180 J9 CARCINOGENESIS JI Carcinogenesis PD JUN PY 2016 VL 37 IS 6 BP 531 EP 540 DI 10.1093/carcin/bgw055 PG 10 WC Oncology SC Oncology GA DO6TH UT WOS:000377915800001 PM 27207657 ER PT J AU Beard, MC Klimov, VI AF Beard, Matthew C. Klimov, Victor I. TI Controlling carrier dynamics using quantum-confined semiconductor nanocrystals Preface SO CHEMICAL PHYSICS LA English DT Editorial Material C1 [Beard, Matthew C.] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. RP Beard, MC (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. EM Matt.Beard@nrel.gov OI BEARD, MATTHEW/0000-0002-2711-1355 NR 0 TC 0 Z9 0 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 EI 1873-4421 J9 CHEM PHYS JI Chem. Phys. PD JUN 1 PY 2016 VL 471 BP 1 EP 1 DI 10.1016/j.chemphys.2016.03.005 PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO4VP UT WOS:000377783300001 ER PT J AU Marshall, AR Beard, MC Johnson, JC AF Marshall, Ashley R. Beard, Matthew C. Johnson, Justin C. TI Nongeminate radiative recombination of free charges in cation-exchanged PbS quantum dot films SO CHEMICAL PHYSICS LA English DT Article DE Photoluminescence; PbS; Quantum dots; Nanocrystals; Bimolecular recombination ID MULTIPLE EXCITON GENERATION; SOLAR-CELLS; SURFACE PASSIVATION; NANOCRYSTAL FILMS; LIGAND; EFFICIENCY; SOLIDS; PHOTOLUMINESCENCE; PHOTOVOLTAICS; LUMINESCENCE AB Using photoluminescence (PL) spectroscopy we explore the radiative recombination pathways in PbS quantum dots (QDs) synthesized by two methods. We compare conventionally synthesized PbS from a PbO precursor to PbS synthesized using cation-exchange from CdS QDs. We show that strongly coupled films of PbS QDs from the cation-exchange luminesce with significant efficiency at room temperature. This is in stark contrast to conventional PbS QDs, which have exceedingly weak room temperature emission. Moreover, the power dependence of the emission is quadratic, indicating bimolecular radiative recombination that is reasonably competitive with trap-assisted recombination, a feature previously unreported in coupled PbS QD films. We interpret these results in terms of a greatly reduced defect concentration for cation-exchanged QDs that mitigates the influence of trap-assisted recombination. Cation-exchanged QDs have recently been employed in highly efficient and air-stable lead chalcogenide QD devices, and the reduced number of trap states inferred here may lead to improved current collection and higher open circuit voltage. (C) 2015 Elsevier B. V. All rights reserved. C1 [Marshall, Ashley R.; Beard, Matthew C.; Johnson, Justin C.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Marshall, Ashley R.] Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. RP Johnson, JC (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. OI BEARD, MATTHEW/0000-0002-2711-1355 FU Center for Advanced Solar Photophysics; Energy Frontier Research Center - Department of Energy, Office of Science [DE-AC36-08GO28308]; NREL FX We thank Dan Kroupa for assistance with FET sample preparation. This work was funded by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center supported by the Department of Energy, Office of Science under Contract No. DE-AC36-08GO28308 with NREL. NR 42 TC 1 Z9 1 U1 9 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 EI 1873-4421 J9 CHEM PHYS JI Chem. Phys. PD JUN 1 PY 2016 VL 471 BP 75 EP 80 DI 10.1016/j.chemphys.2015.07.007 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DO4VP UT WOS:000377783300012 ER PT J AU Bochev, P Ridzal, D AF Bochev, Pavel Ridzal, Denis TI Optimization-based additive decomposition of weakly coercive problems with applications SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Optimization; Additive decomposition; Weakly coercive problems; Oseen's equations; Finite elements ID PARTIAL-DIFFERENTIAL-EQUATIONS; NAVIER-STOKES EQUATIONS; VIRTUAL CONTROL; ALGORITHMS AB We present an abstract mathematical framework for an optimization-based additive decomposition of a large class of variational problems into a collection of concurrent subproblems. The framework replaces a given monolithic problem by an equivalent constrained optimization formulation in which the subproblems define the optimization constraints and the objective is to minimize the mismatch between their solutions. The significance of this reformulation stems from the fact that one can solve the resulting optimality system by an iterative process involving only solutions of the subproblems. Consequently, assuming that stable numerical methods and efficient solvers are available for every subproblem, our reformulation leads to robust and efficient numerical algorithms for a given monolithic problem by breaking it into subproblems that can be handled more easily. An application of the framework to the Oseen equations illustrates its potential. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Bochev, Pavel; Ridzal, Denis] Sandia Natl Labs, Ctr Res Comp, POB 5800,MS 1320, Albuquerque, NM 87185 USA. RP Bochev, P (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800,MS 1320, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov; dridzal@sandia.gov NR 26 TC 0 Z9 0 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2140 EP 2154 DI 10.1016/j.camwa.2015.12.032 PG 15 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800002 ER PT J AU Chen, QS Ringler, T Gent, PR AF Chen, Qingshan Ringler, Todd Gent, Peter R. TI Extending a potential vorticity transport eddy closure to include a spatially-varying coefficient SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Antarctic Circumpolar Current; Mesoscale eddy parametrization; Gent McWilliams closure; Potential vorticity homogenization; Spatially-varying diffusivities ID OCEAN CIRCULATION MODELS; MESOSCALE TRACER TRANSPORTS; GEOSTROPHIC EDDIES; PARAMETERIZATION; FLUXES AB The use of spatially varying eddy diffusivities is explored with the extended Gent McWilliams (eGM) closure for both passive tracers and potential vorticity (PV). Numerical experiments are conducted with a wind-forced isopycnal channel model. It is shown that, the eGM closure with eddy diffusivities derived from a high-resolution reference solution produces the best results compared to the reference solution in terms of the thickness, PV profiles and volume fluxes. The use of spatially varying eddy diffusivities also removes the unphysical reverse jets near the channel walls shown by the eGM with constant eddy diffusivities. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Chen, Qingshan] Clemson Univ, Dept Math Sci, Clemson, SC 29634 USA. [Ringler, Todd] Los Alamos Natl Lab, Los Alamos, NM 87501 USA. [Gent, Peter R.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. RP Chen, QS (reprint author), Clemson Univ, Dept Math Sci, Clemson, SC 29634 USA. EM qsc@clemson.edu OI Chen, Qingshan/0000-0003-4076-2627 NR 28 TC 0 Z9 0 U1 2 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2206 EP 2217 DI 10.1016/j.camwa.2015.12.041 PG 12 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800006 ER PT J AU D'Elia, M Perego, M Bochev, P Littlewood, D AF D'Elia, Marta Perego, Mauro Bochev, Pavel Littlewood, David TI A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Nonlocal models; Coupling method; Optimization; Nonlocal vector calculus; Mixed boundary conditions; Nonlocal diffusion ID PERIDYNAMIC MODELS; SOLID MECHANICS; FINITE-ELEMENT; CONTINUUM; ELASTICITY AB We develop and analyze an optimization-based method for the coupling of nonlocal and local diffusion problems with mixed volume constraints and boundary conditions. The approach formulates the coupling as a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the nonlocal and local domains, and the controls are virtual volume constraints and boundary conditions. When some assumptions on the kernel functions hold, we prove that the resulting optimization problem is well-posed and discuss its implementation using Sandia's agile software components toolkit. The latter provides the groundwork for the development of engineering analysis tools, while numerical results for nonlocal diffusion in three-dimensions illustrate key properties of the optimization-based coupling method. (C) 2016 Published by Elsevier Ltd. C1 [D'Elia, Marta; Perego, Mauro; Bochev, Pavel; Littlewood, David] Sandia Natl Labs, Ctr Res Comp, Mail Stop 1320, Albuquerque, NM 87185 USA. RP D'Elia, M (reprint author), Sandia Natl Labs, Ctr Res Comp, Mail Stop 1320, Albuquerque, NM 87185 USA. EM mdelia@sandia.gov NR 37 TC 1 Z9 1 U1 1 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2218 EP 2230 DI 10.1016/j.camwa.2015.12.006 PG 13 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800007 ER PT J AU Dexter, NC Webster, CG Zhang, GN AF Dexter, Nick C. Webster, Clayton G. Zhang, Guannan TI Explicit cost bounds of stochastic Galerkin approximations for parameterized PDEs with random coefficients SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Stochastic Galerkin; Stochastic collocation; Sparse polynomial approximation; Complexity analysis; Explicit cost bounds; Finite elements ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; COLLOCATION METHOD; CHAOS; DISCRETIZATIONS; SYSTEMS AB This work analyzes the overall computational complexity of the stochastic Galerkin finite element method (SGFEM) for approximating the solution of parameterized elliptic partial differential equations with both affine and non-affine random coefficients. To compute the fully discrete solution, such approaches employ a Galerkin projection in both the deterministic and stochastic domains, produced here by a combination of finite elements and a global orthogonal basis, defined on an isotopic total degree index set, respectively. To account for the sparsity of the resulting system, we present a rigorous cost analysis that considers the total number of coupled finite element systems that must be simultaneously solved in the SGFEM. However, to maintain sparsity as the coefficient becomes increasingly nonlinear in the parameterization, it is necessary to also approximate the coefficient by an additional orthogonal expansion. In this case we prove a rigorous complexity estimate for the number of floating point operations (FLOPs) required per matrix-vector multiplication of the coupled system. Based on such complexity estimates we also develop explicit cost bounds in terms of FLOPs to solve the stochastic Galerkin (SG) systems to a prescribed tolerance, which are used to compare with the minimal complexity estimates of a stochastic collocation finite element method (SCFEM), shown in our previous work (Galindo et al., 2015). Finally, computational evidence complements the theoretical estimates and supports our conclusion that, in the case that the coefficient is affine, the coupled SG system can be solved more efficiently than the decoupled SC systems. However, as the coefficient becomes more nonlinear, it becomes prohibitively expensive to obtain an approximation with the SGFEM. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Dexter, Nick C.] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Webster, Clayton G.; Zhang, Guannan] Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA. RP Webster, CG (reprint author), Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA. EM webstercg@ornl.gov OI Zhang, Guannan/0000-0001-7256-150X NR 36 TC 0 Z9 0 U1 4 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2231 EP 2256 DI 10.1016/j.camwa.2015.12.005 PG 26 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800008 ER PT J AU Gerritsma, M Bochev, P AF Gerritsma, Marc Bochev, Pavel TI A spectral mimetic least-squares method for the Stokes equations with no-slip boundary condition SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Least-squares; Mimetic methods; Spectral element method; Mass conservation ID FINITE-ELEMENT METHODS; FORMS; FLOW AB Formulation of locally conservative least-squares finite element methods (LSFEMs) for the Stokes equations with the no-slip boundary condition has been a long standing problem. Existing LSFEMs that yield exactly divergence free velocities require non-standard boundary conditions (Bochev and Gunzburger, 2009 [3]), while methods that admit the no-slip condition satisfy the incompressibility equation only approximately (Bochev and Gunzburger, 2009 [4, Chapter 7]). Here we address this problem by proving a new nonstandard stability bound for the velocity vorticity pressure Stokes system augmented with a no-slip boundary condition. This bound gives rise to a norm-equivalent least-squares functional in which the velocity can be approximated by div-conforming finite element spaces, thereby enabling, a locally-conservative approximations of this variable. We also provide a practical realization of the new LSFEM using high-order spectral mimetic finite element spaces (Kreeft et al., 2011) and report several numerical tests, which confirm its mimetic properties. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Gerritsma, Marc] Delft Univ Technol, Fac Aerosp Engn, Kluyverweg 2, NL-2629 HT Delft, Netherlands. [Bochev, Pavel] Sandia Natl Labs, Ctr Res Comp, Mail Stop 1320, Albuquerque, NM 87185 USA. RP Bochev, P (reprint author), Sandia Natl Labs, Ctr Res Comp, Mail Stop 1320, Albuquerque, NM 87185 USA. EM M.I.Gerritsma@TUDelft.nl NR 40 TC 1 Z9 1 U1 2 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2285 EP 2300 DI 10.1016/j.camwa.2016.01.033 PG 16 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800011 ER PT J AU Seleson, P Littlewood, DJ AF Seleson, Pablo Littlewood, David J. TI Convergence studies in meshfree peridynamic simulations SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Peridynamics; Meshfree method; Convergence; Partial volumes; Influence functions ID DYNAMIC CRACK-PROPAGATION; NONLOCAL DIFFUSION; ADAPTIVE REFINEMENT; NAVIER EQUATION; SOLID MECHANICS; MODELS; ELASTICITY; DISCRETIZATION; STATES; DAMAGE AB Meshfree methods are commonly applied to discretize peridynamic models, particularly in numerical simulations of engineering problems. Such methods discretize peridynamic bodies using a set of nodes with characteristic volume, leading to particle-based descriptions of systems. In this paper, we perform convergence studies of static peridynamic problems. We show that commonly used meshfree methods in peridynamics suffer from accuracy and convergence issues, due to a rough approximation of the contribution of nodes near the boundary of the neighborhood of a given node to numerical integrations. We propose two methods to improve meshfree peridynamic simulations. The first method uses accurate computations of volumes of intersections between neighbor cells and the neighborhood of a given node, referred to as partial volumes. The second method employs smooth influence functions with a finite support within peridynamic kernels. Numerical results demonstrate great improvements in accuracy and convergence of peridynamic numerical solutions when using the proposed methods. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Seleson, Pablo] Oak Ridge Natl Lab, Comp Sci & Math Div, One Bethel Valley Rd,POB 2008,MS-6211, Oak Ridge, TN 37831 USA. [Littlewood, David J.] Sandia Natl Labs, Ctr Res Comp, Multiscale Sci Dept, POB 5800,MS-1322, Albuquerque, NM 87185 USA. RP Seleson, P (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, One Bethel Valley Rd,POB 2008,MS-6211, Oak Ridge, TN 37831 USA. EM selesonpd@ornl.gov OI Seleson, Pablo/0000-0003-3279-4231 NR 56 TC 2 Z9 2 U1 6 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2432 EP 2448 DI 10.1016/j.camwa.2015.12.021 PG 17 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800021 ER PT J AU Stoyanov, MK Webster, CG AF Stoyanov, Miroslav K. Webster, Clayton G. TI A dynamically adaptive sparse grids method for quasi-optimal interpolation of multidimensional functions SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Sparse grids; Quasi-optimal approximation; Multidimensional interpolation ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; STOCHASTIC COLLOCATION METHOD; GREEDY ALGORITHMS; CONVERGENCE-RATES; LEJA SEQUENCES; ELLIPTIC PDES; APPROXIMATION; COEFFICIENTS AB In this work we develop a dynamically adaptive sparse grids (SG) method for quasi optimal interpolation of multidimensional analytic functions defined over a product of one dimensional bounded domains. The goal of such approach is to construct an interpolant in space that corresponds to the "best M-terms" based on sharp a priori estimate of polynomial coefficients. In the past, SG methods have been successful in achieving this, with a traditional construction that relies on the solution to a Knapsack problem: only the most profitable hierarchical surpluses are added to the SG. However, this approach requires additional sharp estimates related to the size of the analytic region and the norm of the interpolation operator, i.e., the Lebesgue constant. Instead, we present an iterative SG procedure that adaptively refines an estimate of the region and accounts for the effects of the Lebesgue constant. Our approach does not require any a priori knowledge of the analyticity or operator norm, is easily generalized to both affine and non-affine analytic functions, and can be applied to sparse grids built from one dimensional rules with arbitrary growth of the number of nodes. In several numerical examples, we utilize our dynamically adaptive SG to interpolate quantities of interest related to the solutions of parametrized elliptic and hyperbolic PDEs, and compare the performance of our quasi optimal interpolant to several alternative SG schemes. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Stoyanov, Miroslav K.; Webster, Clayton G.] Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA. RP Stoyanov, MK (reprint author), Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA. EM stoyanovmk@ornl.gov NR 29 TC 1 Z9 1 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2449 EP 2465 DI 10.1016/j.camwa.2015.12.045 PG 17 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800022 ER PT J AU Zhang, GN Zhao, WD Webster, C Gunzburger, M AF Zhang, Guannan Zhao, Weidong Webster, Clayton Gunzburger, Max TI Numerical methods for a class of nonlocal diffusion problems with the use of backward SDEs SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article; Proceedings Paper CT Conference on Advances in Scientific Computing and Applied Mathematics CY OCT 09-12, 2015 CL Las Vegas, NV SP Oak Ridge Natl Lab, Sandia Natl Labs, US Dept Energy, Off Sci, Adv Sci Comp Res Program DE Backward stochastic differential equation with jumps; Nonlocal diffusion equations; Superdiffusion; Compound Poisson process theta-scheme; Adaptive approximation ID STOCHASTIC DIFFERENTIAL-EQUATIONS; VOLUME-CONSTRAINED PROBLEMS; APPROXIMATION; SCHEME AB We propose a novel numerical approach for nonlocal diffusion equations Du et al. (2012) with integrable kernels, based on the relationship between the backward Kolmogorov equation and backward stochastic differential equations (BSDEs) driven by Levy jumps processes. The nonlocal diffusion problem under consideration is converted to a BSDE, for which numerical schemes are developed. As a stochastic approach, the proposed method completely avoids the challenge of iteratively solving non-sparse linear systems, arising from the nature of nonlocality. This allows for embarrassingly parallel implementation and also enables adaptive approximation techniques to be incorporated in a straightforward fashion. Moreover, our method recovers the convergence rates of classic deterministic approaches (e.g. finite element or collocation methods), due to the use of high-order temporal and spatial discretization schemes. In addition, our approach can handle a broad class of problems with general inhomogeneous forcing terms as long as they are globally Lipschitz continuous. Rigorous error analysis of the new method is provided as several numerical examples that illustrate the effectiveness and efficiency of the proposed approach. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, Guannan; Webster, Clayton] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Zhao, Weidong] Shandong Univ, Sch Math, Jinan 250100, Peoples R China. [Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Zhang, GN (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM zhangg@ornl.gov OI Zhang, Guannan/0000-0001-7256-150X NR 23 TC 1 Z9 1 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUN PY 2016 VL 71 IS 11 BP 2479 EP 2496 DI 10.1016/j.camwa.2015.11.002 PG 18 WC Mathematics, Applied SC Mathematics GA DO5OG UT WOS:000377831800024 ER PT J AU Oxford, KL Wendler, JP McDermott, JE White, RA Powell, JD Jacobs, JM Adkins, JN Waters, KM AF Oxford, Kristie L. Wendler, Jason P. McDermott, Jason E. White, Richard A., III Powell, Joshua D. Jacobs, Jon M. Adkins, Joshua N. Waters, Katrina M. TI The landscape of viral proteomics and its potential to impact human health SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE Biomarkers; host-virus interactions; mass spectrometry; pathway analysis; post-translational modifications; serum proteomics ID INFLUENZA-A VIRUS; INTERFERON-STIMULATED GENES; MASS-SPECTROMETRY; PROTEIN QUANTIFICATION; INFECTED PATIENTS; UBIQUITIN SYSTEM; DENGUE INFECTION; HOST SUMOYLATION; SERUM PROTEOME; REPORTER IONS AB Introduction: Advances in mass spectrometry-based proteomic technologies are enhancing studies of viral pathogenesis. Identification and quantification of host and viral proteins and modifications in cells and extracellular fluids during infection provides useful information about pathogenesis, and will be critical for directing clinical interventions and diagnostics.Areas covered: Herein we review and discuss a broad range of global proteomic studies conducted during viral infection, including those of cellular responses, protein modifications, virion packaging, and serum proteomics. We focus on viruses that impact human health and focus on experimental designs that reveal disease processes and surrogate markers.Expert commentary: Global proteomics is an important component of systems-level studies that aim to define how the interaction of humans and viruses leads to disease. Viral-community resource centers and strategies from other fields (e.g., cancer) will facilitate data sharing and platform-integration for systems-level analyses, and should provide recommended standards and assays for experimental designs and validation. C1 [Oxford, Kristie L.; Wendler, Jason P.; McDermott, Jason E.; White, Richard A., III; Jacobs, Jon M.; Adkins, Joshua N.; Waters, Katrina M.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. [Powell, Joshua D.] Pacific NW Natl Lab, Signature Sci & Technol Div, Richland, WA 99352 USA. RP Waters, KM (reprint author), Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. EM Katrina.waters@pnnl.gov FU US Department of Homeland Security Science and Technology Directorate [HSHQPM 14-X-00238/P00002] FX This work was supported by the US Department of Homeland Security Science and Technology Directorate [HSHQPM 14-X-00238/P00002]. NR 132 TC 0 Z9 0 U1 1 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-9450 EI 1744-8387 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD JUN PY 2016 VL 13 IS 6 BP 579 EP 591 DI 10.1080/14789450.2016.1184091 PG 13 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA DO4ZK UT WOS:000377793200006 PM 27133506 ER PT J AU McIlwain, SJ Peris, D Sardi, M Moskvin, OV Zhan, FJ Myers, KS Riley, NM Buzzell, A Parreiras, LS Ong, IM Landick, R Coon, JJ Gasch, AP Sato, TK Hittinger, CT AF McIlwain, Sean J. Peris, David Sardi, Maria Moskvin, Oleg V. Zhan, Fujie Myers, Kevin S. Riley, Nicholas M. Buzzell, Alyssa Parreiras, Lucas S. Ong, Irene M. Landick, Robert Coon, Joshua J. Gasch, Audrey P. Sato, Trey K. Hittinger, Chris Todd TI Genome Sequence and Analysis of a Stress-Tolerant, Wild-Derived Strain of Saccharomyces cerevisiae Used in Biofuels Research SO G3-GENES GENOMES GENETICS LA English DT Article DE lignocellulosic hydrolysates; Pacific Biosciences (PacBio); genome assembly; genome annotation; novel genes ID XYLOSE FERMENTATION; LIGNOCELLULOSIC BIOMASS; GENE-TRANSFER; YEAST; REVEALS; DEHYDROGENASE; ORGANIZATION; INHIBITORS; DIVERSITY; EVOLUTION AB The genome sequences of more than 100 strains of the yeast Saccharomyces cerevisiae have been published. Unfortunately, most of these genome assemblies contain dozens to hundreds of gaps at repetitive sequences, including transposable elements, tRNAs, and subtelomeric regions, which is where novel genes generally reside. Relatively few strains have been chosen for genome sequencing based on their biofuel production potential, leaving an additional knowledge gap. Here, we describe the nearly complete genome sequence of GLBRCY22-3 (Y22-3), a strain of S. cerevisiae derived from the stress-tolerant wild strain NRRL YB-210 and subsequently engineered for xylose metabolism. After benchmarking several genome assembly approaches, we developed a pipeline to integrate Pacific Biosciences (PacBio) and Illumina sequencing data and achieved one of the highest quality genome assemblies for any S. cerevisiae strain. Specifically, the contig N50 is 693 kbp, and the sequences of most chromosomes, the mitochondrial genome, and the 2-micron plasmid are complete. Our annotation predicts 92 genes that are not present in the reference genome of the laboratory strain S288c, over 70% of which were expressed. We predicted functions for 43 of these genes, 28 of which were previously uncharacterized and unnamed. Remarkably, many of these genes are predicted to be involved in stress tolerance and carbon metabolism and are shared with a Brazilian bioethanol production strain, even though the strains differ dramatically at most genetic loci. The Y22-3 genome sequence provides an exceptionally high-quality resource for basic and applied research in bioenergy and genetics. C1 [McIlwain, Sean J.; Peris, David; Sardi, Maria; Moskvin, Oleg V.; Zhan, Fujie; Myers, Kevin S.; Parreiras, Lucas S.; Ong, Irene M.; Landick, Robert; Coon, Joshua J.; Gasch, Audrey P.; Sato, Trey K.; Hittinger, Chris Todd] Univ Wisconsin, DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Peris, David; Sardi, Maria; Myers, Kevin S.; Gasch, Audrey P.; Hittinger, Chris Todd] Univ Wisconsin, Genet Lab, Madison, WI 53706 USA. [Peris, David; Sardi, Maria; Myers, Kevin S.; Riley, Nicholas M.; Coon, Joshua J.; Gasch, Audrey P.; Hittinger, Chris Todd] Univ Wisconsin, Genome Ctr Wisconsin, Madison, WI 53706 USA. [Peris, David; Hittinger, Chris Todd] Univ Wisconsin, Wisconsin Energy Inst, JF Crow Inst Study Evolut, Madison, WI 53706 USA. [Sardi, Maria; Landick, Robert; Gasch, Audrey P.; Hittinger, Chris Todd] Univ Wisconsin, Microbiol Doctoral Training Program, Madison, WI 53706 USA. [Zhan, Fujie] Univ Wisconsin, Dept Comp Sci, Madison, WI 53706 USA. [Riley, Nicholas M.; Coon, Joshua J.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Landick, Robert] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Coon, Joshua J.] Univ Wisconsin, Dept Biomol Chem, Madison, WI 53706 USA. [Buzzell, Alyssa] Med Coll Wisconsin, Milwaukee, WI 53226 USA. RP Hittinger, CT (reprint author), Genet Biotechnol Ctr, 425-G Henry Mall,Room 4102, Madison, WI 53706 USA. EM cthittinger@wisc.edu OI Riley, Nicholas/0000-0002-1536-2966 FU Office of Science of the United States DOE [DE-AC02-05CH11231]; National Science Foundation (NSF) [DGE-1256259]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; NSF [DEB-1253634]; Pew Charitable Trusts; Alexander von Humboldt Foundation FX We thank Brian Haas for his assistance in optimizing the Trinity pipeline's parameters, Mary Tremaine for technical support, Yaoping Zhang for running the fermentations with Y22-3, David Benton for management and critical reading of the manuscript, Dana Wohlbach for providing the assembled genome sequences and novel gene predictions for NRRL Y-2209 (= LEP) and NRRL Y-389 (= MUSH), and Gavin Sherlock for providing the XDH1 sequence from S. cerevisiae strain EC1118. We also thank the University of Wisconsin Biotechnology Center DNA Sequencing Facility and Gene Expression Center for performing Illumina DNA and RNA sequencing, respectively, and the United States Department of Energy (DOE) Joint Genome Institute (JGI), a DOE Office of Science User Facility, for providing Illumina RNA sequencing. The work conducted by the DOE JGI is supported by the Office of Science of the United States DOE under contract number DE-AC02-05CH11231. This material is based upon work supported by the National Science Foundation (NSF) Graduate Research Fellowship Program under grant number DGE-1256259 to M.S. and N.M.R. This work was funded in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494 to R.L., J.J.C., A.P.G., T.K.S., and C.T.H.) and the NSF (grant number DEB-1253634 to C.T.H.). C.T.H. is a Pew Scholar in the Biomedical Sciences and an Alfred Toepfer Faculty Fellow, supported by the Pew Charitable Trusts and the Alexander von Humboldt Foundation, respectively. NR 80 TC 4 Z9 4 U1 4 U2 8 PU GENETICS SOCIETY AMERICA PI BETHESDA PA 9650 ROCKVILLE AVE, BETHESDA, MD 20814 USA SN 2160-1836 J9 G3-GENES GENOM GENET JI G3-Genes Genomes Genet. PD JUN PY 2016 VL 6 IS 6 BP 1757 EP 1766 DI 10.1534/g3.116.029389 PG 10 WC Genetics & Heredity SC Genetics & Heredity GA DO5KI UT WOS:000377821600026 PM 27172212 ER PT J AU Kadioglu, SY AF Kadioglu, Samet Y. TI Essentially Nonoscillatory Spectral Deferred Correction Method for Hyperbolic Problems SO INTERNATIONAL JOURNAL OF COMPUTATIONAL METHODS LA English DT Article DE Spectral deferred corrections method; essentially nonoscillatory method; piece-wise parabolic method; high resolution; high-order time-space accuracy ID ORDINARY DIFFERENTIAL-EQUATIONS; SHOCK-CAPTURING SCHEMES; EFFICIENT IMPLEMENTATION; CONSERVATION-LAWS; GAS-DYNAMICS; IMPLICIT AB We present a computational method based on the spectral deferred corrections (SDC) time integration technique and the essentially nonoscillatory (ENO) finite volume method for hyperbolic problems. The SDC technique is used to advance the solutions in time with high-order of accuracy. The ENO method is used to define high-order cell edge quantities that are then used to evaluate numerical fluxes. The coupling of the SDC method with a high-order finite volume method (piece-wise parabolic method (PPM)) is first carried out by Layton et al. [J. Comput. Phys. 194(2) (2004) 697]. Issues about this approach have been addressed and some improvements have been added to it in Kadioglu et al. [J. Comput. Math. 1(4) (2012) 303]. Here, we investigate the implications when the PPM method is replaced with the well-known ENO method. We note that the SDC-PPM method is fourth-order accurate in time and space. Therefore, we kept the order of accuracy of the ENO procedure as fourth-order in order to be able to make a consistent comparison between the two approaches (SDC-ENO versus SDC-PPM). We have tested the new SDC-ENO technique by solving smooth and nonsmooth hyperbolic problems. Our numerical results indicate that the fourth-order of accuracy in both space and time has been achieved for smooth problems. On the other hand, the new method performs very well when it is applied to nonlinear problems that involve discontinuous solutions. In other words, we have obtained highly resolved discontinuous solutions with essentially no-oscillations at or around the discontinuities. C1 [Kadioglu, Samet Y.] Idaho Natl Lab, Fuels Modeling & Simulat Dept, POB 1625,MS 3840, Falls, ID 83415 USA. [Kadioglu, Samet Y.] Yildiz Tekn Univ, Dept Engn Math, TR-34210 Istanbul, Turkey. RP Kadioglu, SY (reprint author), Idaho Natl Lab, Fuels Modeling & Simulat Dept, POB 1625,MS 3840, Falls, ID 83415 USA.; Kadioglu, SY (reprint author), Yildiz Tekn Univ, Dept Engn Math, TR-34210 Istanbul, Turkey. EM samet.kadioglu@inl.gov FU U.S. Government [DEAC07-05ID14517 (INL/JOU-15-36588)] FX The submitted manuscript has been authored by a contractor of the U.S. Government under Contract No. DEAC07-05ID14517 (INL/JOU-15-36588). Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 36 TC 1 Z9 1 U1 1 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0219-8762 EI 1793-6969 J9 INT J COMP METH-SING JI Int. J. Comput. Methods PD JUN PY 2016 VL 13 IS 3 AR 1650017 DI 10.1142/S0219876216500171 PG 18 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA DO6NX UT WOS:000377901500007 ER PT J AU Covey, C Gleckler, PJ Doutriaux, C Williams, DN Dai, AG Fasullo, J Trenberth, K Berg, A AF Covey, Curt Gleckler, Peter J. Doutriaux, Charles Williams, Dean N. Dai, Aiguo Fasullo, John Trenberth, Kevin Berg, Alexis TI Metrics for the Diurnal Cycle of Precipitation: Toward Routine Benchmarks for Climate Models SO JOURNAL OF CLIMATE LA English DT Article ID SATELLITE-OBSERVATIONS; CMIP5; GENESIS; TROPICS; SYSTEM AB Metrics are proposed-that is, a few summary statistics that condense large amounts of data from observations or model simulations-encapsulating the diurnal cycle of precipitation. Vector area averaging of Fourier amplitude and phase produces useful information in a reasonably small number of harmonic dial plots, a procedure familiar from atmospheric tide research. The metrics cover most of the globe but down-weight high-latitude wintertime ocean areas where baroclinic waves are most prominent. This enables intercomparison of a large number of climate models with observations and with each other. The diurnal cycle of precipitation has features not encountered in typical climate model intercomparisons, notably the absence of meaningful "average model" results that can be displayed in a single two-dimensional map. Displaying one map per model guides development of the metrics proposed here by making it clear that land and ocean areas must be averaged separately, but interpreting maps from all models becomes problematic as the size of a multimodel ensemble increases. Global diurnal metrics provide quick comparisons with observations and among models, using the most recent version of the Coupled Model Intercomparison Project (CMIP). This includes, for the first time in CMIP, spatial resolutions comparable to global satellite observations. Consistent with earlier studies of resolution versus parameterization of the diurnal cycle, the longstanding tendency of models to produce rainfall too early in the day persists in the high-resolution simulations, as expected if the error is due to subgrid-scale physics. C1 [Covey, Curt; Gleckler, Peter J.; Doutriaux, Charles; Williams, Dean N.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, LLNL Mail Code L-103,7000 East Ave, Livermore, CA 94550 USA. [Dai, Aiguo] SUNY Albany, Albany, NY 12222 USA. [Fasullo, John; Trenberth, Kevin] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. [Berg, Alexis] Columbia Univ, Int Res Inst Climate & Soc, New York, NY USA. RP Covey, C (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, LLNL Mail Code L-103,7000 East Ave, Livermore, CA 94550 USA. EM covey1@llnl.gov FU DOE Office of Science by Lawrence Livermore National Laboratory at the National Center for Atmospheric Research [DE-AC52-07NA27344]; DOE Office of Science by Lawrence Livermore National Laboratory at Columbia University; State University of New York; NSF [AGS-1353740, AGS-1331375]; DOE [DE-SC0012602, DE-SC0012711]; NOAA [NA15OAR4310086] FX We thank Karl Taylor for mathematical consultation, the Working Group on Coupled Modelling for CMIP planning, and the modelers (Table 1) for providing output. We also thank our colleagues Shaocheng Xie and Chengzhu Zhang for useful discussion of the relationship between ARM and TRMM observations. Work was performed under auspices of the DOE Office of Science by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, at the National Center for Atmospheric Research, and at Columbia University and the State University of New York. We acknowledge funding from NSF Grants AGS-1353740 and AGS-1331375, DOE Awards DE-SC0012602 and DE-SC0012711, and NOAA Award NA15OAR4310086. NR 32 TC 1 Z9 1 U1 9 U2 10 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD JUN PY 2016 VL 29 IS 12 BP 4461 EP 4471 DI 10.1175/JCLI-D-15-0664.1 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DO5AT UT WOS:000377796700009 ER PT J AU Kay, JE Wall, C Yettella, V Medeiros, B Hannay, C Caldwell, P Bitz, C AF Kay, Jennifer E. Wall, Casey Yettella, Vineel Medeiros, Brian Hannay, Cecile Caldwell, Peter Bitz, Cecilia TI Global Climate Impacts of Fixing the Southern Ocean Shortwave Radiation Bias in the Community Earth System Model (CESM) SO JOURNAL OF CLIMATE LA English DT Article ID INTERTROPICAL CONVERGENCE ZONE; SUPERCOOLED LIQUID CLOUDS; MIXED-PHASE CLOUD; ATMOSPHERE MODEL; CMIP5 MODELS; MICROPHYSICS; FEEDBACKS; DYNAMICS; POSITION; SURFACE AB A large, long-standing, and pervasive climate model bias is excessive absorbed shortwave radiation (ASR) over the midlatitude oceans, especially the Southern Ocean. This study investigates both the underlying mechanisms for and climate impacts of this bias within the Community Earth System Model, version 1, with the Community Atmosphere Model, version 5 [CESM1(CAM5)]. Excessive Southern Ocean ASR in CESM1(CAM5) results in part because low-level clouds contain insufficient amounts of supercooled liquid. In a present-day atmosphere-only run, an observationally motivated modification to the shallow convection detrainment increases supercooled cloud liquid, brightens low-level clouds, and substantially reduces the Southern Ocean ASR bias. Tuning to maintain global energy balance enables reduction of a compensating tropical ASR bias. In the resulting preindustrial fully coupled run with a brighter Southern Ocean and dimmer tropics, the Southern Ocean cools and the tropics warm. As a result of the enhanced meridional temperature gradient, poleward heat transport increases in both hemispheres (especially the Southern Hemisphere), and the Southern Hemisphere atmospheric jet strengthens. Because northward cross-equatorial heat transport reductions occur primarily in the ocean (80%), not the atmosphere (20%), a proposed atmospheric teleconnection linking Southern Ocean ASR bias reduction and cooling with northward shifts in tropical precipitation has little impact. In summary, observationally motivated supercooled liquid water increases in shallow convective clouds enable large reductions in long-standing climate model shortwave radiation biases. Of relevance to both model bias reduction and climate dynamics, quantifying the influence of Southern Ocean cooling on tropical precipitation requires a model with dynamic ocean heat transport. C1 [Kay, Jennifer E.; Yettella, Vineel] Univ Colorado, Cooperat Inst Res Environm Sci, 216 UCB, Boulder, CO 80309 USA. [Kay, Jennifer E.; Yettella, Vineel] Univ Colorado, Dept Atmospher & Ocean Sci, 216 UCB, Boulder, CO 80309 USA. [Wall, Casey; Bitz, Cecilia] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [Medeiros, Brian; Hannay, Cecile] Natl Ctr Atmospher Res, Climate & Global Dynam, POB 3000, Boulder, CO 80307 USA. [Caldwell, Peter] Lawrence Livermore Natl Lab, Dept Energy, Livermore, CA USA. RP Kay, JE (reprint author), Univ Colorado, CIRES, ATOC, 216 UCB, Boulder, CO 80309 USA. EM jennifer.e.kay@colorado.edu RI Bitz, Cecilia/S-8423-2016; Kay, Jennifer/C-6042-2012 OI Bitz, Cecilia/0000-0002-9477-7499; FU University of Colorado Cooperative Institute for Research in Environmental Sciences (CIRES); Department of Energy's Office of Science Biological and Environmental Research Division Global Climate Modeling Group at Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors wish to thank Clara Deser, Andrew Gettelman, Matthew Woelfie, and Chris Bretherton for fruitful conversations related to this work, the Yellowstone CESM CSL for computing resources, and the scientists and software engineers that build CESM. This work was funded by start-up funds awarded to J. E. Kay by the University of Colorado Cooperative Institute for Research in Environmental Sciences (CIRES). P. Caldwell was supported by the Department of Energy's Office of Science Biological and Environmental Research Division Global Climate Modeling Group at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 49 TC 13 Z9 13 U1 4 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD JUN PY 2016 VL 29 IS 12 BP 4617 EP 4636 DI 10.1175/JCLI-D-15-0358.1 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DO5AT UT WOS:000377796700018 ER PT J AU Kim, K Whelan, G Molina, M Purucker, ST Pachepsky, Y Guber, A Cyterski, MJ Franklin, DH Blaustein, RA AF Kim, Keewook Whelan, Gene Molina, Marirosa Purucker, S. Thomas Pachepsky, Yakov Guber, Andrey Cyterski, Michael J. Franklin, Dorcas H. Blaustein, Ryan A. TI Rainfall-induced release of microbes from manure: model development, parameter estimation, and uncertainty evaluation on small plots SO JOURNAL OF WATER AND HEALTH LA English DT Article DE bootstrap; Bradford-Schijven release model; manure; microbe; PEST; quantitative microbial risk assessment (QMRA) ID ESCHERICHIA-COLI; E. COLI; DIE-OFF; SURVIVAL; ENTEROCOCCI; BACTERIA; CRYPTOSPORIDIUM; TRANSPORT; COWPATS; GIARDIA AB A series of simulated rainfall-runoff experiments with applications of different manure types (cattle solid pats, poultry dry litter, swine slurry) was conducted across four seasons on a field containing 36 plots (0.75 x 2 m each), resulting in 144 rainfall-runoff events. Simulating time-varying release of Escherichia coli, enterococci, and fecal coliforms from manures applied at typical agronomic rates evaluated the efficacy of the Bradford-Schijven model modified by adding terms for release efficiency and transportation loss. Two complementary, parallel approaches were used to calibrate the model and estimate microbial release parameters. The first was a four-step sequential procedure using the inverse model PEST, which provides appropriate initial parameter values. The second utilized a PEST/bootstrap procedure to estimate average parameters across plots, manure age, and microbe, and to provide parameter distributions. The experiment determined that manure age, microbe, and season had no clear relationship to the release curve. Cattle solid pats released microbes at a different, slower rate than did poultry dry litter or swine slurry, which had very similar release patterns. These findings were consistent with other published results for both bench-and field-scale, suggesting the modified Bradford-Schijven model can be applied to microbial release from manure. C1 [Kim, Keewook] US DOE, Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA. [Kim, Keewook] Univ Idaho, Idaho Falls Ctr Higher Educ, Idaho Falls, ID 83402 USA. [Kim, Keewook; Whelan, Gene; Molina, Marirosa; Purucker, S. Thomas; Cyterski, Michael J.] US EPA, Natl Exposure Res Lab, Ecosyst Res Div, Athens, GA 30605 USA. [Pachepsky, Yakov] ARS, Environm Microbial & Food Safety Lab, USDA, Beltsville, MD 20705 USA. [Guber, Andrey] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. [Franklin, Dorcas H.] ARS, USDA, Watkinsville, GA 30677 USA. [Franklin, Dorcas H.] Univ Georgia, Dept Crop & Soil Sci, Athens, GA 30602 USA. [Blaustein, Ryan A.] Univ Maryland, Dept Environm Sci & Technol, College Pk, MD 20742 USA. RP Kim, K (reprint author), US DOE, Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.; Kim, K (reprint author), Univ Idaho, Idaho Falls Ctr Higher Educ, Idaho Falls, ID 83402 USA. EM kkeewook@uidaho.edu FU United States Environmental Protection Agency through its Office of Research and Development; Office of Water; Office of Research and Development FX The United States Environmental Protection Agency through its Office of Research and Development and in collaboration with the Office of Water funded and managed the research described here. It has been subjected to Agency review and approved for publication. This research was supported in part by an appointment to the Research Participation Program at the United States Environmental Protection Agency, Office of Research and Development, administered by the Oak Ridge Institute for Science and Education through Interagency Agreement No. DW8992298301 between the United States Department of Energy and the United States Environmental Protection Agency. The Richard B. Russell Agricultural Research Center, Agricultural Research Service, United States Department of Agriculture, in Athens, GA provided technical assistance on the field work. Data collection and collation services were provided by students under contract with the Student Services Contracting Authority. NR 40 TC 0 Z9 0 U1 3 U2 4 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 1477-8920 J9 J WATER HEALTH JI J. Water Health PD JUN PY 2016 VL 14 IS 3 BP 443 EP 459 DI 10.2166/wh.2016.239 PG 17 WC Environmental Sciences; Public, Environmental & Occupational Health; Microbiology; Water Resources SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Microbiology; Water Resources GA DO5HH UT WOS:000377813700008 PM 27280610 ER PT J AU Karali, N Xu, TF Sathaye, J AF Karali, Nihan Xu, Tengfang Sathaye, Jayant TI Developing long-term strategies to reduce energy use and CO2 emissions-analysis of three mitigation scenarios for iron and steel production in China SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE CO2 emission; Energy; Industry Sector Energy Efficiency Modeling (ISEEM); Iron and steel; Mitigation strategy; Scenario analysis ID EFFICIENCY MEASURES; MANUFACTURING SECTOR; CONSERVED ENERGY; CEMENT INDUSTRY; CONSUMPTION; MODEL; INTENSITY; PERSPECTIVE; IMPROVEMENT; COSTS AB We perform a scenario analysis of three strategies for long-term energy savings and carbon dioxide (CO2) emission reductions in iron and steel production in China, using a linear optimization modeling framework industry sector energy efficiency modeling (ISEEM). The modeling includes annual projections for one base scenario representing business-as-usual (BAU) and three additional scenarios representing different strategies to reduce annual energy use and CO2 emissions from 2010 to 2050. Specifically, the three scenarios for cost-optimization modeling include changing the production share (PS), predefining emission reduction (ER) target, and stipulating carbon emission pricing (CP), respectively. While the three strategies are projected to result in similar annual energy savings by approximately 15 % compared to that of the BAU scenario in year 2050, the carbon emission pricing strategy brings about the highest annual energy savings in the medium term (e.g., 2025). In addition, adopting carbon emission pricing strategy will result in the highest emission reduction from BAU with much higher costs, i.e., by 20 % in 2025 and 41 % in 2050, while adopting either PS or ER strategies will result in a moderate level of emission reduction from BAU, i.e., by approximately 4 % in 2025 and 14 % in 2050. The analysis of China's national strategies to reduce energy use and emissions provides important implications for global mitigation strategies. C1 [Karali, Nihan; Xu, Tengfang; Sathaye, Jayant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, One Cyclotron Rd,MS 90R2000, Berkeley, CA 94720 USA. RP Xu, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, One Cyclotron Rd,MS 90R2000, Berkeley, CA 94720 USA. EM timxu818@gmail.com FU US Environmental Protection Agency (EPA) through the US Department of Energy [DE-AC02-05CH11231] FX The research was funded by the US Environmental Protection Agency (EPA) through the US Department of Energy under Contract No. DE-AC02-05CH11231. We appreciate the EPA Project Officer Eric Smith for his support. NR 51 TC 0 Z9 0 U1 4 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 EI 1573-1596 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2016 VL 21 IS 5 BP 699 EP 719 DI 10.1007/s11027-014-9615-y PG 21 WC Environmental Sciences SC Environmental Sciences & Ecology GA DO6VE UT WOS:000377920800003 ER PT J AU Shatsky, M Dong, M Liu, HC Yang, LL Choi, M Singer, ME Geller, JT Fisher, SJ Hall, SC Hazen, TC Brenner, SE Butland, G Jin, J Witkowska, HE Chandonia, JM Biggin, MD AF Shatsky, Maxim Dong, Ming Liu, Haichuan Yang, Lee Lisheng Choi, Megan Singer, Mary E. Geller, Jil T. Fisher, Susan J. Hall, Steven C. Hazen, Terry C. Brenner, Steven E. Butland, Gareth Jin, Jian Witkowska, H. Ewa Chandonia, John-Marc Biggin, Mark D. TI Quantitative Tagless Copurification: A Method to Validate and Identify Protein-Protein Interactions SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID INTERACTION NETWORKS; ESCHERICHIA-COLI; SACCHAROMYCES-CEREVISIAE; INTERACTION MAP; COMPLEXES; IDENTIFICATION; DROSOPHILA; REVEALS; PURIFICATION; SEPARATION AB Identifying protein-protein interactions (PPIs) at an acceptable false discovery rate (FDR) is challenging. Previously we identified several hundred PPIs from affinity purification - mass spectrometry (AP-MS) data for the bacteria Escherichia coli and Desulfovibrio vulgaris. These two interactomes have lower FDRs than any of the nine interactomes proposed previously for bacteria and are more enriched in PPIs validated by other data than the nine earlier interactomes. To more thoroughly determine the accuracy of ours or other interactomes and to discover further PPIs de novo, here we present a quantitative tagless method that employs iTRAQ MS to measure the copurification of endogenous proteins through orthogonal chromatography steps. 5273 fractions from a four-step fractionation of a D. vulgaris protein extract were assayed, resulting in the detection of 1242 proteins. Protein partners from our D. vulgaris and E. coli AP-MS interactomes copurify as frequently as pairs belonging to three benchmark data sets of well-characterized PPIs. In contrast, the protein pairs from the nine other bacterial interactomes copurify two- to 20-fold less often. We also identify 200 high confidence D. vulgaris PPIs based on tagless copurification and colocalization in the genome. These PPIs are as strongly validated by other data as our AP-MS interactomes and overlap with our AP-MS interactome for D.vulgaris within 3% of expectation, once FDRs and false negative rates are taken into account. Finally, we reanalyzed data from two quantitative tagless screens of human cell extracts. We estimate that the novel PPIs reported in these studies have an FDR of at least 85% and find that less than 7% of the novel PPIs identified in each screen overlap. Our results establish that a quantitative tagless method can be used to validate and identify PPIs, but that such data must be analyzed carefully to minimize the FDR. C1 [Shatsky, Maxim; Brenner, Steven E.; Chandonia, John-Marc] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Dong, Ming; Choi, Megan; Biggin, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Liu, Haichuan; Fisher, Susan J.; Hall, Steven C.; Witkowska, H. Ewa] Univ Calif San Francisco, OB GYN Dept, Sandler Moore Mass Spectrometry Core Facil, San Francisco, CA 94143 USA. [Yang, Lee Lisheng; Jin, Jian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA. [Singer, Mary E.; Geller, Jil T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Hazen, Terry C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Brenner, Steven E.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Butland, Gareth] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Chandonia, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.; Biggin, MD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. EM jmchandonia@lbl.gov; mdbiggin@lbl.gov RI Hazen, Terry/C-1076-2012 OI Hazen, Terry/0000-0002-2536-9993 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; Sandler Family Foundation; Gordon and Betty Moore Foundation; Canary Foundation and NIH/NCI Cancer Center Support Grant [P30 CA082103] FX This work was initiated by the Protein Complex Analysis Project and later conducted as part of ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular Assemblies (http://enigma.lbl.gov), a Scientific Focus Area Program at Lawrence Berkeley National Laboratory, both supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Mass-spectrometry analyses were performed by the UCSF Sandler-Moore Mass-Spectrometry Core Facility, which acknowledges support from the Sandler Family Foundation, the Gordon and Betty Moore Foundation, the Canary Foundation and NIH/NCI Cancer Center Support Grant P30 CA082103. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. NR 52 TC 0 Z9 0 U1 3 U2 11 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 EI 1535-9484 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD JUN PY 2016 VL 15 IS 6 BP 2186 EP 2202 DI 10.1074/mcp.M115.057117 PG 17 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA DO5KV UT WOS:000377822900030 PM 27099342 ER PT J AU Calder, S Vale, JG Bogdanov, NA Liu, X Donnerer, C Upton, MH Casa, D Said, AH Lumsden, MD Zhao, Z Yan, JQ Mandrus, D Nishimoto, S van den Brink, J Hill, JP McMorrow, DF Christianson, AD AF Calder, S. Vale, J. G. Bogdanov, N. A. Liu, X. Donnerer, C. Upton, M. H. Casa, D. Said, A. H. Lumsden, M. D. Zhao, Z. Yan, J-Q. Mandrus, D. Nishimoto, S. van den Brink, J. Hill, J. P. McMorrow, D. F. Christianson, A. D. TI Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7 SO NATURE COMMUNICATIONS LA English DT Article AB Much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d(5) iridates (Ir4+), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d(3) (Os5+) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd2Os2O7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similar to pyrochlore iridates. Here, we resolve the magnetic structure in Cd2Os2O7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation. C1 [Calder, S.; Lumsden, M. D.; Christianson, A. D.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Vale, J. G.; Donnerer, C.; McMorrow, D. F.] UCL, London Ctr Nanotechnol, London WC1H 0AH, England. [Bogdanov, N. A.; Nishimoto, S.; van den Brink, J.] IFW Dresden, Inst Theoret Solid State Phys, D-01171 Dresden, Germany. [Liu, X.; Hill, J. P.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Liu, X.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Liu, X.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Upton, M. H.; Casa, D.; Said, A. H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Zhao, Z.; Yan, J-Q.; Mandrus, D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhao, Z.; Yan, J-Q.; Mandrus, D.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Nishimoto, S.; van den Brink, J.] Tech Univ Dresden, Inst Theoret Phys, D-01069 Dresden, Germany. [Christianson, A. D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Calder, S (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. EM caldersa@ornl.gov RI McMorrow, Desmond/C-2655-2008; van den Brink, Jeroen/E-5670-2011; BL18, ARCS/A-3000-2012; christianson, andrew/A-3277-2016; Lumsden, Mark/F-5366-2012; OI McMorrow, Desmond/0000-0002-4947-7788; van den Brink, Jeroen/0000-0001-6594-9610; christianson, andrew/0000-0003-3369-5884; Lumsden, Mark/0000-0002-5472-9660; Bogdanov, Nikolay A./0000-0002-5437-4919 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); U.S. DOE [DE-AC02-06CH11357, DE-AC02-98CH10886]; EPSRC; German Research Foundation (Deutsche Forschungsgemeinschaft) [SFB 1143]; MOST [2015CB921302]; CAS of China [XDB07020200]; US Department of Energy, Office of Science, Basic Energy, Materials Sciences and Engineering Division; CEM; NSF MRSEC [DMR-1420451] FX We thank D.J. Singh for useful discussions. Work at ORNL's High Flux Isotope reactor was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. DOE Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Work in London was supported by the EPSRC. Work in Dresden was supported by the German Research Foundation (SFB 1143 of the Deutsche Forschungsgemeinschaft). Work performed at Brookhaven National Laboratory was supported by the US DOE under contract no. DE-AC02-98CH10886. X.L. acknowledges financial support from MOST (No. 2015CB921302) and CAS (No: XDB07020200) of China. D.M. and J.-Q.Y. acknowledge support from the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Z.Z. was partially supported by the CEM and NSF MRSEC under Grant No. DMR-1420451. NR 30 TC 4 Z9 4 U1 15 U2 33 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11651 DI 10.1038/ncomms11651 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DO5HK UT WOS:000377814000001 PM 27273216 ER PT J AU Cummins, DR Martinez, U Sherehiy, A Kappera, R Martinez-Garcia, A Schulze, RK Jasinski, J Zhang, J Gupta, RK Lou, J Chhowalla, M Sumanasekera, G Mohite, AD Sunkara, MK Gupta, G AF Cummins, Dustin R. Martinez, Ulises Sherehiy, Andriy Kappera, Rajesh Martinez-Garcia, Alejandro Schulze, Roland K. Jasinski, Jacek Zhang, Jing Gupta, Ram K. Lou, Jun Chhowalla, Manish Sumanasekera, Gamini Mohite, Aditya D. Sunkara, Mahendra K. Gupta, Gautam TI Efficient hydrogen evolution in transition metal dichalcogenides via a simple one-step hydrazine reaction SO NATURE COMMUNICATIONS LA English DT Article ID PBSE NANOCRYSTAL SOLIDS; ACTIVE EDGE SITES; PLATINUM NANOPARTICLES; MOS2 NANOPARTICLES; SYNTHESIS GAS; QUANTUM DOTS; NANOSHEETS; GRAPHENE; MOLYBDENUM; CATALYST AB Hydrogen evolution reaction is catalysed efficiently with precious metals, such as platinum; however, transition metal dichalcogenides have recently emerged as a promising class of materials for electrocatalysis, but these materials still have low activity and durability when compared with precious metals. Here we report a simple one-step scalable approach, where MoOx/MoS2 core-shell nanowires and molybdenum disulfide sheets are exposed to dilute aqueous hydrazine at room temperature, which results in marked improvement in electrocatalytic performance. The nanowires exhibit similar to 100 mV improvement in overpotential following exposure to dilute hydrazine, while also showing a 10-fold increase in current density and a significant change in Tafel slope. In situ electrical, gate-dependent measurements and spectroscopic investigations reveal that hydrazine acts as an electron dopant in molybdenum disulfide, increasing its conductivity, while also reducing the MoOx core in the core-shell nanowires, which leads to improved electrocatalytic performance. C1 [Cummins, Dustin R.; Martinez, Ulises; Kappera, Rajesh; Mohite, Aditya D.; Gupta, Gautam] Los Alamos Natl Lab, Mat Phys & Applicat MPA 11, POB 1663, Los Alamos, NM 87545 USA. [Cummins, Dustin R.; Sherehiy, Andriy; Martinez-Garcia, Alejandro; Jasinski, Jacek; Sumanasekera, Gamini; Sunkara, Mahendra K.] Univ Louisville, Chem Engn & Conn Ctr Renewable Energy Res, Louisville, KY 40292 USA. [Kappera, Rajesh; Chhowalla, Manish] Rutgers State Univ, Mat Sci & Engn, Piscataway, NJ 08854 USA. [Schulze, Roland K.] Los Alamos Natl Lab, Mat Sci & Technol MST 6, POB 1663, Los Alamos, NM 87545 USA. [Zhang, Jing; Lou, Jun] Rice Univ, Mat Sci & NanoEngn, Houston, TX 77005 USA. [Gupta, Ram K.] Pittsburg State Univ, Chem, Pittsburg, KS 66762 USA. RP Gupta, G (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat MPA 11, POB 1663, Los Alamos, NM 87545 USA.; Sunkara, MK (reprint author), Univ Louisville, Chem Engn & Conn Ctr Renewable Energy Res, Louisville, KY 40292 USA. EM mahendra@louisville.edu; gautam@lanl.gov RI Cummins, Dustin/F-5233-2013; OI Cummins, Dustin/0000-0002-6516-4749; Schulze, Roland/0000-0002-6601-817X FU Los Alamos Directed Research Grant; US Department of Energy [DE-AC52-06NA25396]; DOE EPSCoR [DE-FG02-07ER46375]; NASA Kentucky under NASA award [NNX10AL96H]; National Science Foundation NSF EPSCoR [1355438] FX This work was funded primarily by Los Alamos Directed Research Grant. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. The authors would also like to acknowledge the Conn Center for Renewable Energy Research at the University of Louisville for facilities and access to characterization equipment. Development of samples and characterization was supported partially by DOE EPSCoR (DE-FG02-07ER46375) and by a graduate fellowship funded by NASA Kentucky under NASA award No: NNX10AL96H. We thank Dan Kelly and Joseph Dumont at Los Alamos National Laboratory for assistance with XPS analysis. We thank National Science Foundation NSF EPSCoR Grant 1355438 for supporting this work. NR 61 TC 10 Z9 10 U1 72 U2 162 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11857 DI 10.1038/ncomms11857 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DO8BU UT WOS:000378007900001 PM 27282871 ER PT J AU Goesten, MG de Lange, MF Olivos-Suarez, AI Bavykina, AV Serra-Crespo, P Krywka, C Bickelhaupt, FM Kapteijn, F Gascon, J AF Goesten, M. G. de lange, M. F. Olivos-Suarez, A. I. Bavykina, A. V. Serra-Crespo, P. Krywka, C. Bickelhaupt, F. M. Kapteijn, F. Gascon, Jorge TI Evidence for a chemical clock in oscillatory formation of UiO-66 SO NATURE COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORK; MOLECULAR-ORBITAL THEORY; ACTIVATION STRAIN MODEL; X-RAY-SCATTERING; CORRELATION-ENERGY; DENSITY; APPROXIMATION; CRYSTALLIZATION; DIFFRACTION; CHEMISTRY AB Chemical clocks are often used as exciting classroom experiments, where an induction time is followed by rapidly changing colours that expose oscillating concentration patterns. This type of reaction belongs to a class of nonlinear chemical kinetics also linked to chaos, wave propagation and Turing patterns. Despite its vastness in occurrence and applicability, the clock reaction is only well understood for liquid-state processes. Here we report a chemical clock reaction, in which a solidifying entity, metal-organic framework UiO-66, displays oscillations in crystal dimension and number, as shown by X-ray scattering. In rationalizing this result, we introduce a computational approach, the metal-organic molecular orbital methodology, to pinpoint interaction between the tectonic building blocks that construct the metal-organic framework material. In this way, we show that hydrochloric acid plays the role of autocatalyst, bridging separate processes of condensation and crystallization. C1 [Goesten, M. G.; de lange, M. F.; Olivos-Suarez, A. I.; Bavykina, A. V.; Kapteijn, F.; Gascon, Jorge] Delft Univ Technol, Catalysis Engn, Julianalaan 136, NL-2628 BL Delft, Netherlands. [Goesten, M. G.] Eindhoven Univ Technol, Inorgan Mat Chem, POB 513, NL-5600 MB Eindhoven, Netherlands. [Serra-Crespo, P.] Radiat Sci & Technol, Mekelweg 15, NL-2629 JB Delft, Netherlands. [Krywka, C.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Krywka, C.] Helmholtz Zentrum Geesthacht, D-21502 Geesthacht, Germany. [Bickelhaupt, F. M.] Vrije Univ Amsterdam, Dept Theoret Chem, de Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands. [Bickelhaupt, F. M.] Vrije Univ Amsterdam, ACMM, de Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands. [Bickelhaupt, F. M.] Radboud Univ Nijmegen, IMM, Heyendaalseweg 135, NL-6525 AJ Nijmegen, Netherlands. RP Goesten, MG; Gascon, J (reprint author), Delft Univ Technol, Catalysis Engn, Julianalaan 136, NL-2628 BL Delft, Netherlands.; Goesten, MG (reprint author), Eindhoven Univ Technol, Inorgan Mat Chem, POB 513, NL-5600 MB Eindhoven, Netherlands. EM M.G.Goesten@tue.nl; J.Gascon@tudelft.nl RI Kapteijn, Frederik /F-2031-2010; Group, CE/C-3853-2009; Bickelhaupt, F. Matthias/A-3857-2009; Gascon, Jorge/E-8798-2010; De Lange, Martijn/M-7007-2015; Olivos-Suarez, Alma/Q-7789-2016; OI Kapteijn, Frederik /0000-0003-0575-7953; Bickelhaupt, F. Matthias/0000-0003-4655-7747; Gascon, Jorge/0000-0001-7558-7123; De Lange, Martijn/0000-0001-6442-1451; Olivos-Suarez, Alma/0000-0001-8850-6548; Serra Crespo, Pablo/0000-0002-5106-0527 FU European Research Council under the European Union/ERC [335746] FX We thank Dr Lin Yang from X9, NSLS, for his support during the SAXS/WAXS measurements. Our acknowledgements go further out to two reviewers, who contributed to the final version of the manuscript. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 335746, CrystEng-MOF-MMM. NR 51 TC 0 Z9 0 U1 19 U2 49 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11832 DI 10.1038/ncomms11832 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DO8BR UT WOS:000378007600001 PM 27282410 ER PT J AU Veal, BW Kim, SK Zapol, P Iddir, H Baldo, PM Eastman, JA AF Veal, Boyd W. Kim, Seong Keun Zapol, Peter Iddir, Hakim Baldo, Peter M. Eastman, Jeffrey A. TI Interfacial control of oxygen vacancy doping and electrical conduction in thin film oxide heterostructures SO NATURE COMMUNICATIONS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; GAS; (LA,SR)COO3/(LA,SR)(2)COO4; HETEROINTERFACE; ENHANCEMENT; EXCHANGE; STORAGE; CELLS AB Oxygen vacancies in proximity to surfaces and heterointerfaces in oxide thin film heterostructures have major effects on properties, resulting, for example, in emergent conduction behaviour, large changes in metal-insulator transition temperatures or enhanced catalytic activity. Here we report the discovery of a means of reversibly controlling the oxygen vacancy concentration and distribution in oxide heterostructures consisting of electronically conducting In2O3 films grown on ionically conducting Y2O3-stabilized ZrO2 substrates. Oxygen ion redistribution across the heterointerface is induced using an applied electric field oriented in the plane of the interface, resulting in controlled oxygen vacancy (and hence electron) doping of the film and possible orders-of-magnitude enhancement of the film's electrical conduction. The reversible modified behaviour is dependent on interface properties and is attained without cation doping or changes in the gas environment. C1 [Veal, Boyd W.; Kim, Seong Keun; Zapol, Peter; Iddir, Hakim; Baldo, Peter M.; Eastman, Jeffrey A.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kim, Seong Keun] Korea Inst Sci & Technol, Ctr Elect Mat, Seoul 136791, South Korea. RP Eastman, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jeastman@anl.gov RI Kim, Seong Keun/D-3809-2011; OI Kim, Seong Keun/0000-0001-8712-7167; Eastman, Jeff/0000-0002-0847-4265 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. We thank Huajun Liu for providing the WO3-on-YSZ sample used for the measurement shown in Supplementary Fig. 9, and we thank Dillon Fong, Matt Highland, Paul Fuoss and Carol Thompson who participated in the experiments described in Supplementary Note 4. Computer time allocations at the Fusion Computer Facility, Argonne National Laboratory, are gratefully acknowledged. NR 43 TC 3 Z9 3 U1 21 U2 37 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11892 DI 10.1038/ncomms11892 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DO8BX UT WOS:000378008200001 PM 27283250 ER PT J AU Eaton, SW Fu, A Wong, AB Ning, CZ Yang, PD AF Eaton, Samuel W. Fu, Anthony Wong, Andrew B. Ning, Cun-Zheng Yang, Peidong TI Semiconductor nanowire lasers SO NATURE REVIEWS MATERIALS LA English DT Review ID LEAD HALIDE PEROVSKITES; AMPLIFIED SPONTANEOUS EMISSION; ROOM-TEMPERATURE; PHOTONIC CRYSTAL; ALLOY NANOWIRES; PHASE SYNTHESIS; PLASMON LASERS; INP NANOWIRES; SOLAR-CELLS; WAVE-GUIDE AB The discovery and continued development of the laser has revolutionized both science and industry. The advent of miniaturized, semiconductor lasers has made this technology an integral part of everyday life. Exciting research continues with a new focus on nanowire lasers because of their great potential in the field of optoelectronics. In this Review, we explore the latest advancements in the development of nanowire lasers and offer our perspective on future improvements and trends. We discuss fundamental material considerations and the latest, most effective materials for nanowire lasers. A discussion of novel cavity designs and amplification methods is followed by some of the latest work on surface plasmon polariton nanowire lasers. Finally, exciting new reports of electrically pumped nanowire lasers with the potential for integrated optoelectronic applications are described. C1 [Eaton, Samuel W.; Fu, Anthony; Wong, Andrew B.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Fu, Anthony; Wong, Andrew B.; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ning, Cun-Zheng] Arizona State Univ, Sch Elect Comp & Energy Engn, Tempe, AZ 85287 USA. [Ning, Cun-Zheng] Tsinghua Univ, Dept Elect Engn, Beijing 100084, Peoples R China. [Yang, Peidong] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Ning, C. Z./D-4699-2009 OI Ning, C. Z./0000-0003-4583-8889 NR 107 TC 10 Z9 10 U1 45 U2 84 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2058-8437 J9 NAT REV MATER JI Nat. Rev. Mater. PD JUN PY 2016 VL 1 IS 6 AR 16028 DI 10.1038/natrevmats.2016.28 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA DO3HQ UT WOS:000377672200003 ER PT J AU Li, W Liu, J Zhao, DY AF Li, Wei Liu, Jun Zhao, Dongyuan TI Mesoporous materials for energy conversion and storage devices SO NATURE REVIEWS MATERIALS LA English DT Review ID PEROVSKITE SOLAR-CELLS; OXYGEN REDUCTION REACTION; LITHIUM-SULFUR BATTERIES; ONE-POT SYNTHESIS; HIGH-PERFORMANCE SUPERCAPACITORS; 2-DIMENSIONAL TITANIUM CARBIDE; COVALENT ORGANIC FRAMEWORKS; HIGH VOLUMETRIC CAPACITANCE; METAL-FREE ELECTROCATALYSTS; PROTON-EXCHANGE MEMBRANES AB To meet the growing energy demands in a low-carbon economy, the development of new materials that improve the efficiency of energy conversion and storage systems is essential. Mesoporous materials offer opportunities in energy conversion and storage applications owing to their extraordinarily high surface areas and large pore volumes. These properties may improve the performance of materials in terms of energy and power density, lifetime and stability. In this Review, we summarize the primary methods for preparing mesoporous materials and discuss their applications as electrodes and/or catalysts in solar cells, solar fuel production, rechargeable batteries, supercapacitors and fuel cells. Finally, we outline the research and development challenges of mesoporous materials that need to be overcome to increase their contribution in renewable energy applications. C1 [Li, Wei; Zhao, Dongyuan] Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Adv Mat Lab, Dept Chem,IChEM, Shanghai 200433, Peoples R China. [Li, Wei; Zhao, Dongyuan] Fudan Univ, State Key Lab Mol Engn Polymers, Shanghai 200433, Peoples R China. [Liu, Jun] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhao, DY (reprint author), Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Adv Mat Lab, Dept Chem,IChEM, Shanghai 200433, Peoples R China.; Zhao, DY (reprint author), Fudan Univ, State Key Lab Mol Engn Polymers, Shanghai 200433, Peoples R China.; Liu, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM jun.liu@pnnl.gov; dyzhao@fudan.edu.cn OI li, wei/0000-0002-4641-620X NR 218 TC 25 Z9 25 U1 170 U2 311 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2058-8437 J9 NAT REV MATER JI Nat. Rev. Mater. PD JUN PY 2016 VL 1 IS 6 AR 16023 DI 10.1038/natrevmats.2016.23 PG 17 WC Materials Science, Multidisciplinary SC Materials Science GA DO3HQ UT WOS:000377672200002 ER PT J AU Zhong, ZP Gohar, Y AF Zhong, Zhaopeng Gohar, Yousry TI Electron Accelerator Shielding Design of KIPT Neutron Source Facility SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Article DE Electron Accelerator; Monte Carlo Simulation; Shield Design ID DRIVEN SUBCRITICAL FACILITY AB The Argonne National Laboratory of the United States and the Kharkov Institute of Physics and Technology of the Ukraine have been collaborating on the design, development and construction of a neutron source facility at Kharkov Institute of Physics and Technology utilizing an electron-accelerator-driven subcritical assembly. The electron beam power is 100 kW using 100-MeV electrons. The facility was designed to perform basic and applied nuclear research, produce medical isotopes, and train nuclear specialists. The biological shield of the accelerator building was designed to reduce the biological dose to less than 5.0e-03 mSv/h during operation. The main source of the biological dose for the accelerator building is the photons and neutrons generated from different interactions of leaked electrons from the electron gun and the accelerator sections with the surrounding components and materials. The Monte Carlo N-particle extended code (MCNPX) was used for the shielding calculations because of its capability to perform electron-, photon-, and neutron-coupled transport simulations. The photon dose was tallied using the MCNPX calculation, starting with the leaked electrons. However, it is difficult to accurately tally the neutron dose directly from the leaked electrons. The neutron yield per electron from the interactions with the surrounding components is very small, similar to 0.01 neutron for 100-MeV electron and even smaller for lower-energy electrons. This causes difficulties for the Monte Carlo analyses and consumes tremendous computation resources for tallying the neutron dose outside the shield boundary with an acceptable accuracy. To avoid these difficulties, the SOURCE and TALLYX user subroutines of MCNPX were utilized for this study. The generated neutrons were banked, together with all related parameters, for a subsequent MCNPX calculation to obtain the neutron dose. The weight windows variance reduction technique was also utilized for both neutron and photon dose calculations. Two shielding materials, heavy concrete and ordinary concrete, were considered for the shield design. The main goal is to maintain the total dose outside the shield boundary less than 5.0e-03 mSv/h during operation. The shield configuration and parameters of the accelerator building were determined and are presented in this paper. Copyright (C) 2016, Published by Elsevier Korea LLC on behalf of Korean Nuclear Society. C1 [Zhong, Zhaopeng; Gohar, Yousry] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Zhong, ZP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhong@anl.gov FU U.S. Department of Energy, Office of Material Management and Minimization (M3), National Nuclear Security Administration FX This work is supported by the U.S. Department of Energy, Office of Material Management and Minimization (M3), National Nuclear Security Administration. NR 13 TC 0 Z9 0 U1 1 U2 4 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD JUN PY 2016 VL 48 IS 3 BP 785 EP 794 DI 10.1016/j.net.2016.01.004 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DO7PP UT WOS:000377974800022 ER PT J AU Charles, E Sanchez-Conde, M Anderson, B Caputo, R Cuoco, A Di Mauro, M Drlica-Wagner, A Gomez-Vargas, GA Meyer, M Tibaldo, L Wood, M Zaharijas, G Zimmer, S Ajello, M Albert, A Baldini, L Bechtol, K Bloom, ED Ceraudo, F Cohen-Tanugi, J Digel, SW Gaskins, J Gustafsson, M Mirabal, N Razzano, M AF Charles, E. Sanchez-Conde, M. Anderson, B. Caputo, R. Cuoco, A. Di Mauro, M. Drlica-Wagner, A. Gomez-Vargas, G. A. Meyer, M. Tibaldo, L. Wood, M. Zaharijas, G. Zimmer, S. Ajello, M. Albert, A. Baldini, L. Bechtol, K. Bloom, E. D. Ceraudo, F. Cohen-Tanugi, J. Digel, S. W. Gaskins, J. Gustafsson, M. Mirabal, N. Razzano, M. TI Sensitivity projections for dark matter searches with the Fermi large area telescope SO PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS LA English DT Review DE Gamma-ray observations; Dark matter; Fermi-LAT ID GAMMA-RAY EMISSION; DIFFUSE EXTRAGALACTIC SIGNAL; DWARF SPHEROIDAL GALAXIES; MILKY-WAY SATELLITE; X-RAY; PARTICLE PHYSICS; LAT OBSERVATIONS; SOURCE CATALOG; MASS FUNCTION; COSMIC-RAYS AB The nature of dark matter is a longstanding enigma of physics; it may consist of particles beyond the Standard Model that are still elusive to experiments. Among indirect search techniques, which look for stable products from the annihilation or decay of dark matter particles, or from axions coupling to high-energy photons, observations of the gamma-ray sky have come to prominence over the last few years, because of the excellent sensitivity of the Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope mission. The LAT energy range from 20 meV to above 300 GeV is particularly well suited for searching for products of the interactions of dark matter particles. In this report we describe methods used to search for evidence of dark matter with the LAT, and review the status of searches performed with up to six years of LAT data. We also discuss the factors that determine the sensitivities of these searches, including the magnitudes of the signals and the relevant backgrounds, considering both statistical and systematic uncertainties. We project the expected sensitivities of each search method for 10 and 15 years of LAT data taking. In particular, we find that the sensitivity of searches targeting dwarf galaxies, which provide the best limits currently, will improve faster than the square root of observing time. Current LAT limits for dwarf galaxies using six years of data reach the thermal relic level for masses up to 120 GeV for the b (b) over bar annihilation channel for reasonable dark matter density profiles. With projected discoveries of additional dwarfs, these limits could extend to about 250 GeV. With as much as 15 years of LAT data these searches would be sensitive to dark matter annihilations at the thermal relic cross section for masses to greater than 400 GeV (200 GeV) in the b (b) over bar(tau(+)tau(-)) annihilation channels. (C) 2016 Elsevier B.V. All rights reserved. C1 [Charles, E.; Di Mauro, M.; Wood, M.; Albert, A.; Baldini, L.; Bloom, E. D.; Ceraudo, F.; Digel, S. W.] Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, WW Hansen Expt Phys Lab, Stanford, CA 94305 USA. [Charles, E.; Di Mauro, M.; Wood, M.; Albert, A.; Baldini, L.; Bloom, E. D.; Ceraudo, F.; Digel, S. W.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Sanchez-Conde, M.; Anderson, B.; Meyer, M.; Zimmer, S.] Stockholm Univ, Dept Phys, AlbaNova, SE-10691 Stockholm, Sweden. [Sanchez-Conde, M.; Anderson, B.; Meyer, M.; Zimmer, S.] AlbaNova, Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Caputo, R.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Caputo, R.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Cuoco, A.] Rhein Westfal TH Aachen, Inst Theoret Particle Phys & Cosmol, TTK, D-52056 Aachen, Germany. [Cuoco, A.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Drlica-Wagner, A.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. [Gomez-Vargas, G. A.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Casilla 306, Santiago 22, Chile. [Gomez-Vargas, G. A.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Tibaldo, L.] Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. [Zaharijas, G.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Zaharijas, G.] Univ Trieste, I-34127 Trieste, Italy. [Zaharijas, G.] Univ Nova Gorica, Lab Astroparticle Phys, Vipayska 13, SI-5000 Nova Gorica, Slovenia. [Zimmer, S.] Univ Geneva, DPNC, 24 Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland. [Ajello, M.] Clemson Univ, Dept Phys & Astron, Kinard Lab Phys, Clemson, SC 29634 USA. [Baldini, L.] Univ Pisa, I-56127 Pisa, Italy. [Bechtol, K.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. [Bechtol, K.] Univ Wisconsin, Wisconsin IceCube Particle Astrophys Ctr, Madison, WI 53706 USA. [Cohen-Tanugi, J.] Univ Montpellier, Lab Univers & Particules Montpellier, CNRS, IN2P3, F-34095 Montpellier, France. [Gaskins, J.] Univ Amsterdam, GRAPPA, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. [Gustafsson, M.] Univ Gottingen, Inst Theoret Phys, Fac Phys, Friedrich Hund Pl 1, D-37077 Gottingen, Germany. [Mirabal, N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Razzano, M.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. RP Charles, E (reprint author), Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. EM echarles@slac.stanford.edu RI Meyer, Manuel/E-2697-2016; OI DI MAURO, MATTIA/0000-0003-2759-5625; Meyer, Manuel/0000-0002-0738-7581; Zaharijas, Gabrijela/0000-0001-8484-7791; Baldini, Luca/0000-0002-9785-7726 FU Istituto Nazionale di Astrofisica in Italy; Centre National d'Etudes Spatiales in France; Knut and Alice Wallenberg foundation; Wenner-Gren Foundations; Ministry of Education, University and Research (MIUR) [FIRB-2012-RBFR12PM1F] FX 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.; Brandon Anderson and Manuel Meyer have been supported by a grant of the Knut and Alice Wallenberg foundation, PI : Jan Conrad. Miguel Sanchez-Cond is a Wenner-Gren Fellow and acknowledges the support of the Wenner-Gren Foundations to develop his research.; Massimiliano Razzano was funded by contract FIRB-2012-RBFR12PM1F from the Italian Ministry of Education, University and Research (MIUR). NR 328 TC 8 Z9 8 U1 4 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-1573 EI 1873-6270 J9 PHYS REP JI Phys. Rep.-Rev. Sec. Phys. Lett. PD JUN 1 PY 2016 VL 636 BP 1 EP 46 DI 10.1016/j.physrep.2016.05.001 PG 46 WC Physics, Multidisciplinary SC Physics GA DP0OX UT WOS:000378190200001 ER PT J AU Lu, JL Elam, JW Stair, PC AF Lu, Junling Elam, Jeffrey W. Stair, Peter C. TI Atomic layer deposition-Sequential self-limiting surface reactions for advanced catalyst "bottom-up" synthesis SO SURFACE SCIENCE REPORTS LA English DT Review DE Atomic layer deposition; Heterogeneous catalysis; Catalyst synthesis; Supported metal catalyst; Single-atom catalyst; Metal oxide catalyst; Photocatalytic architectures; Bimetallic catalysts; Oxide overcoat; Metal-oxide interfaces; Metal particle size; Core-shell structure; Alloy ID SUPPORTED METAL-CATALYSTS; OXIDE THIN-FILMS; QUARTZ-CRYSTAL MICROBALANCE; TEMPERATURE CO OXIDATION; BINARY REACTION SEQUENCE; WALLED CARBON NANOTUBES; GAS SHIFT REACTION; AU-PD CATALYSTS; PALLADIUM NANOPARTICLE CATALYSTS; ENHANCED RAMAN-SPECTROSCOPY AB Catalyst synthesis with precise control over the structure of catalytic active sites at the atomic level is of essential importance for the scientific understanding of reaction mechanisms and for rational design of advanced catalysts with high performance. Such precise control is achievable using atomic layer deposition (ALD). ALD is similar to chemical vapor deposition (CVD), except that the deposition is split into a sequence of two self-limiting surface reactions between gaseous precursor molecules and a substrate. The unique self-limiting feature of ALD allows conformal deposition of catalytic materials on a high surface area catalyst support at the atomic level. The deposited catalytic materials can be precisely constructed on the support by varying the number and type of ALD cycles. As an alternative to the wet chemistry based conventional methods, ALD provides a cycle-by-cycle "bottom-up" approach for nanostructuring supported catalysts with near atomic precision. In this review, we summarize recent attempts to synthesize supported catalysts with ALD. Nucleation and growth of metals by ALD on oxides and carbon materials for precise synthesis of supported monometallic catalyst are reviewed. The capability of achieving precise control over the particle size of monometallic nanoparticles by ALD is emphasized. The resulting metal catalysts with high dispersions and uniformity often show comparable or remarkably higher activity than those prepared by conventional methods. For supported bimetallic catalyst synthesis, we summarize the strategies for controlling the deposition of the secondary metal selectively on the primary metal nanoparticle but not on the support to exclude monometallic formation. As a review of the surface chemistry and growth behavior of metal ALD on metal surfaces, we demonstrate the ways to precisely tune size, composition and structure of bimetallic metal nanoparticles. The cycle-by-cycle "bottom up" construction of bimetallic (or multiple components) nanoparticles with near atomic precision on supports by ALD is illustrated. Applying metal oxide ALD over metal nanoparticles can be used to precisely synthesize nanostructured metal catalysts. In this part, the surface chemistry of Al2O3 ALD on metals is specifically reviewed. Next, we discuss the methods of tailoring the catalytic performance of metal catalysts including activity, selectivity and stability, through selective blocking of the low-coordination sites of metal nanoparticles, the confinement effect, and the formation of new metal-oxide interfaces. Synthesis of supported metal oxide catalysts with high dispersions and "bottom up" nanostructured photocatalytic architectures are also included. Therein, the surface chemistry and morphology of oxide ALD on oxides and carbon materials as well as their catalytic performance are summarized. (C) 2016 Elsevier B.V. All rights reserved. C1 [Lu, Junling] Univ Sci & Technol China, Dept Chem Phys, Hefei Natl Lab Phys Sci Microscale, CAS Key Lab Mat Energy Convers, Anhua 230026, Peoples R China. [Lu, Junling] Univ Sci & Technol China, Collaborat Innovat Ctr Chem Energy Mat iChEM, Anhua 230026, Peoples R China. [Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Stair, Peter C.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Lu, JL (reprint author), Univ Sci & Technol China, Dept Chem Phys, Hefei Natl Lab Phys Sci Microscale, CAS Key Lab Mat Energy Convers, Anhua 230026, Peoples R China.; Lu, JL (reprint author), Univ Sci & Technol China, Collaborat Innovat Ctr Chem Energy Mat iChEM, Anhua 230026, Peoples R China. EM junling@ustc.edu.cn FU National Natural Science Foundation of China [21473169, 51402283]; Fundamental Research Funds for the Central Universities [WK2060030014, WK2060190026, WK2060030017]; One Thousand Young Talents Program under the Recruitment Program of Global Experts; Scientific Research Foundation for the Returned Overseas Chinese Scholars; University of Science and Technology of China; Hefei Science Center [2015HSC-UP010]; Institute for Atom efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX The work was funded by the National Natural Science Foundation of China (21473169), the Young Scientists Fund of the National Natural Science Foundation of China (51402283), the Fundamental Research Funds for the Central Universities (WK2060030014, WK2060190026 and WK2060030017), One Thousand Young Talents Program under the Recruitment Program of Global Experts, the Scientific Research Foundation for the Returned Overseas Chinese Scholars and the start-up funds from University of Science and Technology of China. This work is also supported by Hefei Science Center (2015HSC-UP010). This material is based upon work supported as part of the Institute for Atom efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 378 TC 7 Z9 7 U1 104 U2 168 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-5729 EI 1879-274X J9 SURF SCI REP JI Surf. Sci. Rep. PD JUN PY 2016 VL 71 IS 2 BP 410 EP 472 DI 10.1016/j.surfrep.2016.03.003 PG 63 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DP2PY UT WOS:000378332600003 ER PT J AU Zhang, LL Zhu, SQ Chang, QW Su, D Yue, J Du, Z Shao, MH AF Zhang, Lulu Zhu, Shangqian Chang, Qiaowan Su, Dong Yue, Jeffrey Du, Zheng Shao, Minhua TI Palladium-Platinum Core-Shell Electrocatalysts for Oxygen Reduction Reaction Prepared with the Assistance of Citric Acid SO ACS CATALYSIS LA English DT Article DE electrocatalysis; fuel cells; underpotential deposition; synchrotron; durability ID MEMBRANE FUEL-CELLS; HIGH-PERFORMANCE; MONOLAYER ELECTROCATALYSTS; SPONTANEOUS DEPOSITION; LAYER DEPOSITION; PARTICLE-SIZE; MONO LAYER; SURFACE; CATALYSTS; NANOPARTICLES AB Core-shell structure is a promising alternative to solid platinum (Pt) nanoparticles as electrocatalyst for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). A simple method of preparing palladium (Pd)-platinum (Pt) core-shell catalysts (Pd@Pt/C) in a gram-batch was developed with the assistance of citric acid. The Pt shell deposition involves three different pathways: galvanic displacement reaction between Pd atoms and Pt cations, chemical reduction by citric acid, and reduction by negative charges on Pd surfaces. The uniform ultrathin (similar to 0.4 nm) Pt shell was characterized by in situ X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images combined with electron energy loss spectroscopy (EELS). Compared with state-of-the-art Pt/C, the Pd@Pt/C core-shell catalyst showed 4 times higher Pt mass activity and much better durability upon potential cycling. Furthermore, both the mass activity and durability were comparable to that of Pd@Pt/C synthesized by a Cu-mediated-Pt-displacement method, which is more complicated and difficult for mass production. C1 [Zhang, Lulu; Zhu, Shangqian; Chang, Qiaowan; Yue, Jeffrey; Shao, Minhua] Hong Kong Univ Sci & Technol, Dept Chem & Biomol Engn, Kowloon, Hong Kong, Peoples R China. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Du, Zheng] Natl Supercomp Ctr Shenzhen, Shenzhen 518055, Guangdong, Peoples R China. RP Shao, MH (reprint author), Hong Kong Univ Sci & Technol, Dept Chem & Biomol Engn, Kowloon, Hong Kong, Peoples R China. EM kemshao@ust.hk RI Su, Dong/A-8233-2013; OI Su, Dong/0000-0002-1921-6683; Zhu, Shangqian/0000-0002-5813-9588 FU Research Grant Council of the Hong Kong Special Administrative Region [IGN13EG05, 26206115]; Hong Kong University of Science and Technology; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Synchrotron Catalysis Consortium (DOE BES) [DE-FG02-03ER15688] FX Authors would like to thank the financial support from the Research Grant Council of the Hong Kong Special Administrative Region (IGN13EG05 and 26206115) and a startup fund from the Hong Kong University of Science and Technology. The work at the 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. Beamline X18A at the NSLS is supported in part by the Synchrotron Catalysis Consortium (DOE BES grant DE-FG02-03ER15688). NR 52 TC 5 Z9 5 U1 31 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2016 VL 6 IS 6 BP 3428 EP 3432 DI 10.1021/acscatal.6b00517 PG 5 WC Chemistry, Physical SC Chemistry GA DN8KC UT WOS:000377326700002 ER PT J AU Lei, Y Lee, S Low, KB Marshall, CL Elam, JW AF Lei, Yu Lee, Sungsik Low, Ke-Bin Marshall, Christopher L. Elam, Jeffrey W. TI Combining Electronic and Geometric Effects of ZnO-Promoted Pt Nanocatalysts for Aqueous Phase Reforming of 1-Propanol SO ACS CATALYSIS LA English DT Article DE aqueous phase reforming; biomass; atomic layer deposition; ALD overcoat; platinum catalysts ID ATOMIC LAYER DEPOSITION; PLATINUM NANOPARTICLES; H-2 PRODUCTION; CO OXIDATION; CATALYSTS; BIOMASS; SILICA; FILMS; DEHYDROGENATION; CHEMISTRY AB Compared with Pt/Al2O3, sintering-resistant Pt nanoparticle catalysts promoted by ZnO significantly improved the reactivity and selectivity toward hydrogen formation in the aqueous phase reforming (APR) of 1-propanol. The improved performance was found to benefit from both the electronic and geometric effects of ZnO thin films. In situ small-angle X-ray scattering and scanning transmission electron microscopy showed that ZnO-promoted Pt possessed promising thermal stability under APR reaction conditions. In situ X-ray absorption spectroscopy showed clear charge transfer between ZnO and Pt nanoparticles. The improved reactivity and selectivity seemed to benefit from having both Pt-ZnO and Pt-Al2O3 interfaces. C1 [Lei, Yu; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA. [Lee, Sungsik] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. [Marshall, Christopher L.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Lei, Yu] Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA. [Low, Ke-Bin] Univ Illinois, Res Resources Ctr, Chicago, IL 60607 USA. RP Lei, Y; Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.; Lei, Y (reprint author), Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA. EM yu.lei@uah.edu; jelam@anl.gov FU Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This material is based upon work supported as part of the Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. We thank Dr. Haiyan Zhao for helping with PDF experiments. NR 22 TC 2 Z9 2 U1 10 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2016 VL 6 IS 6 BP 3457 EP 3460 DI 10.1021/acscatal.6b00963 PG 4 WC Chemistry, Physical SC Chemistry GA DN8KC UT WOS:000377326700006 ER PT J AU Li, XL Goh, TW Li, L Xiao, CX Guo, ZY Zeng, XC Huang, WY AF Li, Xinle Goh, Tian Wei Li, Lei Xiao, Chaoxian Guo, Zhiyong Zeng, Xiao Cheng Huang, Wenyu TI Controlling Catalytic Properties of Pd Nanoclusters through Their Chemical Environment at the Atomic Level Using Isoreticular Metal-Organic Frameworks SO ACS CATALYSIS LA English DT Article DE isoreticular metal-organic framework; under-coordinated metal nanoclusters; DRIFTS studies; DFT; atomic-level selectivity control; oxidation; acetalization; structure-activity relationship ID HETEROGENEOUS CATALYSIS; LINKER SUBSTITUTION; EFFICIENT CATALYST; PD/AL2O3 CATALYSTS; CO OXIDATION; NANOPARTICLES; ENCAPSULATION; SELECTIVITY; ALCOHOLS; CLUSTERS AB Control of heterogeneous catalytic sites through their surrounding chemical environment at an atomic level is crucial to catalyst design. We synthesize Pd nanoclusters (NCs) in an atomically tunable chemical environment using isoreticular metalorganic framework (MOF) supports (Pd@UiO-66-X, X = H, NH2, OMe). In an aerobic reaction between benzaldehyde and ethylene glycol, these catalysts show product distributions that are completely altered from the acetal to the ester when we change the functional groups on the MOF linkers from -NH2 to -H/-OMe. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) studies, along with density functional theory (DFT) calculations, show that the coordination of the-NH2 groups to the Pd NCs could weaken their oxidation capability to a greater extent in comparison to that of the-OMe group. Moreover, the limited number of-NH2 groups per cavity in the MOF change the electronic properties of the Pd NCs while still leaving open sites for catalysis. C1 [Li, Xinle; Goh, Tian Wei; Xiao, Chaoxian; Guo, Zhiyong; Huang, Wenyu] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Li, Xinle; Goh, Tian Wei; Xiao, Chaoxian; Guo, Zhiyong; Huang, Wenyu] US DOE, Ames Lab, Ames, IA 50011 USA. [Li, Lei; Zeng, Xiao Cheng] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. RP Huang, WY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.; Huang, WY (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM whuang@iastate.edu RI Huang, Wenyu/L-3784-2014 OI Huang, Wenyu/0000-0003-2327-7259 FU Ames Laboratory; Iowa State University; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We are grateful for the startup funds support from the Ames Laboratory (Royalty Account) and Iowa State University. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. We thank Dale L.Brewe, Steve M. Heald, Trudy B. Bolin, Tianpin Wu, and Jeff Miller for their assistance during XAS measurements at APS. 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. We thank Robert J. Angelici for his advice during the writing of this manuscript and we also thank Gordon J. Miller for the use of X-ray Diffractometer. NR 63 TC 8 Z9 8 U1 48 U2 107 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2016 VL 6 IS 6 BP 3461 EP 3468 DI 10.1021/acscataL.6b00397 PG 8 WC Chemistry, Physical SC Chemistry GA DN8KC UT WOS:000377326700007 ER PT J AU Kariuki, NN Cansizoglu, MF Begum, M Yurukcu, M Yurtsever, FM Karabacak, T Myers, DJ AF Kariuki, Nancy N. Cansizoglu, Mehmet F. Begum, Mahbuba Yurukcu, Mesut Yurtsever, Fatma M. Karabacak, Tansel Myers, Deborah J. TI SAD-GLAD Pt-Ni@Ni Nanorods as Highly Active Oxygen Reduction Reaction Electrocatalysts SO ACS CATALYSIS LA English DT Article DE magnetron sputtering techniques; glancing angle deposition (GLAD); small angle deposition (SAD); nickel nanorods; Pt-Ni thin film catalysts; oxygen reduction reaction (ORR); polymer electrolyte fuel cell; polymer electrolyte membrane fuel cell (PEMFC) ID FUEL-CELL CATALYSTS; NANOSTRUCTURED COMPLIANT LAYERS; BEAM ELECTRON-DIFFRACTION; PHYSICAL VAPOR-DEPOSITION; THIN-FILM CATALYSTS; CO ELECTROCATALYSTS; ALLOY SURFACES; STRESS REDUCTION; NANOPARTICLES; STABILITY AB Vertically aligned catalysts comprised of platinum nickel thin films on nickel nanorods (designated as Pt-Ni@Ni-NR) with varying ratios of Pt to Ni in the thin film were prepared by magnetron sputtering and evaluated for their oxygen reduction reaction (ORR) activity. A glancing angle deposition (GLAD) technique was used to fabricate the Ni nanorods (NRs) and a small angle deposition technique for growth of a thin conformal coating of Pt-Ni on the Ni-NRs. The Pt-Ni@Ni-NR structures were deposited on glassy carbon for evaluation of their ORR activity in an aqueous acidic electrolyte using the rotating disk electrode technique. The PtNi@Ni-NR catalysts showed superior area-specific and mass activities for ORR compared to those of Pt-Ni alloy nanorod catalysts prepared using the GLAD technique and compared to those of conventional large-surface area Pt and Pt-Ni alloy nanoparticle catalysts. C1 [Kariuki, Nancy N.; Myers, Deborah J.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Cansizoglu, Mehmet F.; Begum, Mahbuba; Yurukcu, Mesut; Yurtsever, Fatma M.; Karabacak, Tansel] Univ Arkansas, Dept Phys & Astron, Little Rock, AR 72204 USA. RP Kariuki, NN (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kariuki@anl.gov FU National Science Foundation [EPS-1003970, 1159830]; UChicago Argonne, LLC [DE-AC02-06CH11357] FX The work at the University of Arkansas at Little Rock (UALR) was financially supported by National Science Foundation Grants EPS-1003970 and 1159830. The authors thank the UALR Center for Integrative Nanotechnology Sciences for helping with SEM images. The authors from the Argonne National Laboratory thank the Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office (Program Manager, Nancy Garland). Argonne is a U.S. Department of Energy Office of Science Laboratory operated under Contract DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 62 TC 1 Z9 1 U1 35 U2 63 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2016 VL 6 IS 6 BP 3478 EP 3485 DI 10.1021/acscatal.6b00454 PG 8 WC Chemistry, Physical SC Chemistry GA DN8KC UT WOS:000377326700010 ER PT J AU Scofield, ME Zhou, YC Yue, SY Wang, L Su, D Tong, X Vukmirovic, MB Adzic, RR Wong, SS AF Scofield, Megan E. Zhou, Yuchen Yue, Shiyu Wang, Lei Su, Dong Tong, Xiao Vukmirovic, Miomir B. Adzic, Radoslav R. Wong, Stanislaus S. TI Role of Chemical Composition in the Enhanced Catalytic Activity of Pt-Based Alloyed Ultrathin Nanowires for the Hydrogen Oxidation Reaction under Alkaline Conditions SO ACS CATALYSIS LA English DT Article DE hydrogen oxidation reaction; Pt-based alloy; nanowires; ligand effect; hydrogen binding energy ID OXYGEN REDUCTION REACTION; METHANOL ELECTROOXIDATION; ELECTROCATALYTIC ACTIVITY; BIMETALLIC NANOPARTICLES; EVOLUTION REACTION; FACILE SYNTHESIS; FUEL-CELLS; PLATINUM; KINETICS; PERFORMANCE AB With the increased interest in the development of hydrogen fuel cells as a plausible alternative to internal combustion engines, recent work has focused on creating alkaline fuel cells (AFC), which employ an alkaline environment. Working in alkaline as opposed to acidic media yields a number of tangible benefits, including (i) the ability to use cheaper and plentiful precious-metal-free catalysts, due to their increased stability, (ii) a reduction in the amount of degradation and corrosion of Pt based catalysts, and (iii) a longer operational lifetime for the overall fuel cell configuration. However, in the absence of Pt, no catalyst has achieved activities similar to those of Pt. Herein, we have synthesized a number of crystalline ultrathin PtM alloy nanowires (NWs) (M = Fe, Co, Ru, Cu, Au) in order to replace a portion of the costly Pt metal without compromising on activity while simultaneously adding in metals known to exhibit favorable synergistic ligand and strain effects with respect to the host lattice. In fact, our experiments confirm theoretical insights about a clear and correlative dependence between measured activity and chemical composition. We have conclusively demonstrated that our as-synthesized alloy NW catalysts yield improved hydrogen oxidation reaction (HOR) activities as compared with a commercial Pt standard as well as with our as-synthesized Pt NWs. The Pt7Ru3 NW system, in particular, quantitatively achieved an exchange current density of 0.493 mA/cm(2), which is higher than the corresponding data for Pt NWs alone. Additionally, the HOR activities follow the same expected trend as their calculated hydrogen binding energy (HBE) values, thereby confirming the critical importance and correlation of HBE with the observed activities. C1 [Scofield, Megan E.; Zhou, Yuchen; Yue, Shiyu; Wang, Lei; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Su, Dong; Tong, Xiao] Brookhaven Natl Lab, Ctr Funct Nanomat, Bldg 735, Upton, NY 11973 USA. [Vukmirovic, Miomir B.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Bldg 555, Upton, NY 11973 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Div, Bldg 480, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu RI Su, Dong/A-8233-2013 OI Su, Dong/0000-0002-1921-6683 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-SC-00112704] FX We acknowledge Luyao Li for her contributions to XPS data collection. Research for all authors was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Experiments for this paper were performed in part at the Center for Functional Nanomaterials located at Brookhaven National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-SC-00112704. NR 58 TC 3 Z9 3 U1 67 U2 141 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2016 VL 6 IS 6 BP 3895 EP 3908 DI 10.1021/acscatal.6b00350 PG 14 WC Chemistry, Physical SC Chemistry GA DN8KC UT WOS:000377326700062 ER PT J AU Biddy, MJ Davis, R Humbird, D Tao, L Dowe, N Guarnieri, MT Linger, JG Karp, EM Salvachua, D Vardon, DR Beckham, GT AF Biddy, Mary J. Davis, Ryan Humbird, David Tao, Ling Dowe, Nancy Guarnieri, Michael T. Linger, Jeffrey G. Karp, Eric M. Salvachua, Davinia Vardon, Derek R. Beckham, Gregg T. TI The Techno-Economic Basis for Coproduct Manufacturing To Enable Hydrocarbon Fuel Production from Lignocellulosic Biomass SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Biochemicals; Lignocellulose; Integration; Biorefinery; Biofuels ID PRETREATED CORN STOVER; FREE FATTY-ACIDS; YEAST RHODOSPORIDIUM-TORULOIDES; MICROBIAL OIL PRODUCTION; LIPID PRODUCTION; SACCHAROMYCES-CEREVISIAE; ESCHERICHIA-COLI; BIOFUELS PRODUCTION; LIPOMYCES-STARKEYI; ACTINOBACILLUS-SUCCINOGENES AB Biorefinery process development relies on techno-economic analysis (TEA) to identify primary cost drivers, prioritize research directions, and mitigate technical risk for scale-up through development of detailed process designs. Here, we conduct TEA of a model 2000 dry metric ton-per day lignocellulosic biorefinery that employs a two-step pretreatment and enzymatic hydrolysis to produce biomass-derived sugars, followed by biological lipid production, lipid recovery, and catalytic hydrotreating to produce renewable diesel blendstock (RDB). On the basis of projected near-term technical feasibility of these steps, we predict that RDB could be produced at a minimum fuel selling price (MFSP) of USD $9.55/gasolinegallon-equivalent (GGE), predicated on the need for improvements in the lipid productivity and yield beyond current benchmark performance. This cost is significant given the limitations in scale and high costs for aerobic cultivation of oleaginous microbes and subsequent lipid extraction/recovery. In light of this predicted cost, we developed an alternative pathway which demonstrates that RDB costs could be substantially reduced in the near term if upgradeable fractions of biomass, in this case hemicellulose-derived sugars, are diverted to coproducts of sufficient value and market size; here, we use succinic acid as an example coproduct. The coproduction model predicts an MFSP of USD $5.28/GGE when leaving conversion and yield parameters unchanged for the fuel production pathway, leading to a change in biorefinery RDB capacity from 24 to 15 MM GGE/year and 0.13 MM tons of succinic acid per year. Additional analysis demonstrates that beyond the near-term projections assumed in the models here, further reductions in the MFSP toward $2-3/GGE (which would be competitive with fossil-based hydrocarbon fuels) are possible with additional transformational improvements in the fuel and coproduct trains, especially in terms of carbon efficiency to both fuels and coproducts, recovery and purification of fuels and coproducts, and coproduct selection and price. Overall, this analysis documents potential economics for both a hydrocarbon fuel and bioproduct process pathway and highlights prioritized research directions beyond the current benchmark to enable hydrocarbon fuel production via an oleaginous microbial platform with simultaneous coproduct manufacturing from lignocellulosic biomass. C1 [Biddy, Mary J.; Davis, Ryan; Humbird, David; Tao, Ling; Dowe, Nancy; Guarnieri, Michael T.; Linger, Jeffrey G.; Karp, Eric M.; Salvachua, Davinia; Vardon, Derek R.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Biddy, MJ; Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Mary.Biddy@nrel.gov; Gregg.Beckham@nrel.gov RI Vardon, Derek/B-8249-2017 OI Vardon, Derek/0000-0002-0199-4524 FU U.S. Department of Energy BioEnergy Technologies Office [DE-AC36-08GO28308] FX We thank the U.S. Department of Energy BioEnergy Technologies Office for funding this work through Contract No. DE-AC36-08GO28308 at the National Renewable Energy Laboratory. We thank Rick Elander for a critical reading of the manuscript and Michael Bradfield, Adam Bratis, Rick Elander, Jacob Kruger, Jim McMillan, and Willie Nicol for helpful discussions. 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, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for U.S. Government purposes. NR 122 TC 7 Z9 7 U1 18 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD JUN PY 2016 VL 4 IS 6 BP 3196 EP 3211 DI 10.1021/acssuschemeng.6b00243 PG 16 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA DN9UJ UT WOS:000377425900031 ER PT J AU Matthiesen, JE Carraher, JM Vasiliu, M Dixon, DA Tessonnier, JP AF Matthiesen, John E. Carraher, Jack M. Vasiliu, Monica Dixon, David A. Tessonnier, Jean-Philippe TI Electrochemical Conversion of Muconic Acid to Biobased Diacid Monomers SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Electrocatalysis; Electrochemistry; Muconic acid; Hydrogenation; Renewables; Polyamides; Adipic acid; Hexenedioic acid ID REVISED POURBAIX DIAGRAMS; ELECTROCATALYTIC HYDROGENATION; ADIPIC ACID; THERMODYNAMIC PROPERTIES; BIOLOGICAL CATALYSIS; CORRELATION-ENERGY; SCREENING MODEL; KEY PRODUCTS; DEGREES-C; DENSITY AB Electrocatalysis is evolving as a competitive alternative to conventional heterogeneous catalysis for the conversion of platform chemicals from biomass. Here, we demonstrate the electrocatalytic conversion of cis,cis-muconic acid, a fermentation product, to trans,trans-muconic acid, trans-3-hexenedioic acid, and adipic acid used for the production of biobased polyamides and polyesters such as nylon, nylon derivatives, and polyethylene terephthalate (PET). The electrocatalytic hydrogenation in this work considers a wide range of early, late, and post -transition metals (Cu, Fe, Ni, Mo, Pb, Pd, Sn, and Zn) with low and high hydrogen overpotentials, and varying degrees of metal hydrogen binding strengths. The binding strength was determined to be an important factor for the conversion rate, faradaic efficiency, and product distribution. Selectivities are also discussed in relation to thermodynamic data, which suggests the possibility to tune the kinetics of reaction to allow for the variable production of the multiple biobased monomers. C1 [Matthiesen, John E.; Carraher, Jack M.; Tessonnier, Jean-Philippe] Iowa State Univ, Dept Chem & Biol Engn, 618 Bissell Rd, Ames, IA 50011 USA. [Matthiesen, John E.; Carraher, Jack M.; Tessonnier, Jean-Philippe] NSF Engn Res Ctr Biorenewable Chem CBiRC, 617 Bissell Rd, Ames, IA 50011 USA. [Matthiesen, John E.; Carraher, Jack M.; Tessonnier, Jean-Philippe] US DOE, Ames Lab, 2408 Pammel Dr, Ames, IA 50011 USA. [Vasiliu, Monica; Dixon, David A.] Univ Alabama, Dept Chem, Shelby Hall, Tuscaloosa, AL 35487 USA. RP Tessonnier, JP (reprint author), Iowa State Univ, Dept Chem & Biol Engn, 618 Bissell Rd, Ames, IA 50011 USA.; Tessonnier, JP (reprint author), NSF Engn Res Ctr Biorenewable Chem CBiRC, 617 Bissell Rd, Ames, IA 50011 USA.; Tessonnier, JP (reprint author), US DOE, Ames Lab, 2408 Pammel Dr, Ames, IA 50011 USA. EM tesso@iastate.edu FU National Science Foundation Grant Numbers [EEC-0813570, EPSC-1101284, CBET-1512126]; U.S. Department of Energy Laboratory Royalty Revenue [DE-ACO207CH11358]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy; Robert Ramsay Chair Fund; STANCE project "Technology for a Sustainable Chemical Economy" of The University of Alabama [RG14648] FX This material is based upon work supported in part by the National Science Foundation Grant Numbers EEC-0813570, EPSC-1101284, and CBET-1512126. Research at the Ames Laboratory was supported by the U.S. Department of Energy Laboratory Royalty Revenue through Contract No.DE-ACO207CH11358. Work at The University of Alabama was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy (catalysis center program). DA.D. also thanks the Robert Ramsay Chair Fund and the STANCE project "Technology for a Sustainable Chemical Economy" (RG14648) of The University of Alabama for support. We would like to thank Dr. Sarah Cady (ISU Chemical Instrumentation Facility) for training and assistance pertaining to the AVIII-600 results included in this publication. NR 78 TC 3 Z9 3 U1 14 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD JUN PY 2016 VL 4 IS 6 BP 3575 EP 3585 DI 10.1021/acssuschemeng.6b00679 PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA DN9UJ UT WOS:000377425900072 ER PT J AU Ward, MA Pierre, JF Leal, RF Huang, Y Shogan, B Dalal, SR Weber, CR Leone, VA Musch, MW An, GC Rao, MC Rubin, DT Raffals, LE Antonopoulos, DA Sogin, ML Hyman, NH Alverdy, JC Chang, EB AF Ward, Marc A. Pierre, Joseph F. Leal, Raquel F. Huang, Yong Shogan, Benjamin Dalal, Sushila R. Weber, Christopher R. Leone, Vanessa A. Musch, Mark W. An, Gary C. Rao, Mrinalini C. Rubin, David T. Raffals, Laura E. Antonopoulos, Dionysios A. Sogin, Mitch L. Hyman, Neil H. Alverdy, John C. Chang, Eugene B. TI Insights into the pathogenesis of ulcerative colitis from a murine model of stasis-induced dysbiosis, colonic metaplasia, and genetic susceptibility SO AMERICAN JOURNAL OF PHYSIOLOGY-GASTROINTESTINAL AND LIVER PHYSIOLOGY LA English DT Article DE pouchitis; inlammatory bowel disease; ulcerative colitis; dysbiosis ID INFLAMMATORY-BOWEL-DISEASE; POUCH MUCOSA; EXPRESSION; MICE; MICROBIOTA AB Gut dysbiosis, host genetics, and environmental triggers are implicated as causative factors in inflanunatory bowel disease (IBD), yet mechanistic insights are lacking. Longitudinal analysis of ulcerative colitis (UC) patients following total colectomy with ileal anal anastomosis (IPAA) where >50% develop pouchitis offers a unique setting to examine cause vs. effect. To recapitulate human IPAA, we employed a mouse model of surgically created blind self-filling (SFL) and self-emptying (SEL) ileal loops using wild-type (WT), IL-10 knockout (KO) (ft-10), TLR4 KO (T4), and IL-10/T4 double KC) mice. After 5 wk, loop histology, host gene/protein expression, and bacterial 16s rRNA profiles were examined. SFL exhibit fecal stasis due to directional motility oriented toward the loop end, whereas SE!, remain empty. In WI mice, SFL, but not SEL, develop pouchlike microbial communities without accompanying active inflammation. However, in genetically susceptible IL-10-deficient mice, SFL, but not SEL, exhibit severe inflammation and mucosal transcriptomes resembling human pouchitis. The inflammation associated with IL-10 required TLR4, as animals lacking both pathways displayed little disease. Furthermore, germ-free IL-10 mice conventionalized with SFL, but not SEL, microbiota populations develop severe colitis. These data support essential roles of stasis induced, colon-like microbiota, TLR4-mediated colonic metaplasia, and genetic susceptibility in the development of pouchitis and possibly UC. However, these factors by themselves are not sufficient. Similarities between this model and htunan UC/pouchitis provide opportunities for gaining insights into the mechanistic basis of IBD) and for identification of targets for novel preventative and therapeutic interventions. C1 [Ward, Marc A.; Shogan, Benjamin; An, Gary C.; Hyman, Neil H.; Alverdy, John C.] Univ Chicago, Dept Surg, 5841 S Maryland Ave, Chicago, IL 60637 USA. [Pierre, Joseph F.; Huang, Yong; Dalal, Sushila R.; Leone, Vanessa A.; Musch, Mark W.; Rubin, David T.; Antonopoulos, Dionysios A.; Chang, Eugene B.] Univ Chicago, Dept Med, Knapp Ctr Biomed Discovery, 5841 S Maryland Ave, Chicago, IL 60637 USA. [Leal, Raquel F.] Univ Estadual Campinas, Dept Surg, Colorectal Surg Unit, Sao Paulo, Brazil. [Weber, Christopher R.] Univ Chicago, Dept Pathol, 5841 S Maryland Ave, Chicago, IL 60637 USA. [Rao, Mrinalini C.] Univ Illinois, Dept Physiol & Biophys, Chicago, IL 60680 USA. [Sogin, Mitch L.] Marine Biol Lab, Biosci Div, Josephine Bay Paul Ctr, Woods Hole, MA 02543 USA. [Raffals, Laura E.] Mayo Clin, Dept Med, Rochester, MN USA. [Antonopoulos, Dionysios A.] Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Antonopoulos, Dionysios A.] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA. RP Chang, EB (reprint author), Univ Chicago, Knapp Ctr Biomed Discovery, 900 E 57th St, Chicago, IL 60637 USA. EM echang@medicine.bsd.uchicago.edu RI OCRC, FAPESP/K-1312-2015; OI OCRC, FAPESP/0000-0003-4596-1043; An, Gary/0000-0003-4549-9004 FU NIDDK [DK42086, UH3 DK083993]; Leona and Harry Helmsley Trust (SHARE) [R37 DK47722, 132 DK07074, F32 DK105728]; Gastrointestinal Research Foundation of Chicago; Peter and Carol Goldman Family Research grant FX Ths research was supported by NIDDK DK42086 (DDRCC), UH3 DK083993, Leona and Harry Helmsley Trust (SHARE), R37 DK47722, 132 DK07074, F32 DK105728, Gastrointestinal Research Foundation of Chicago, and a Peter and Carol Goldman Family Research grant. NR 26 TC 2 Z9 2 U1 1 U2 2 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0193-1857 EI 1522-1547 J9 AM J PHYSIOL-GASTR L JI Am. J. Physiol.-Gastroint. Liver Physiol. PD JUN 1 PY 2016 VL 310 IS 11 BP G973 EP G988 DI 10.1152/ajpgi.00017.2016 PG 16 WC Gastroenterology & Hepatology; Physiology SC Gastroenterology & Hepatology; Physiology GA DN9XE UT WOS:000377433200010 PM 27079612 ER PT J AU Bodaghee, A Tomsick, JA Fornasini, FM Krivonos, R Stern, D Mori, K Rahoui, F Boggs, SE Christensen, FE Craig, WW Hailey, CJ Harrison, FA Zhang, WW AF Bodaghee, Arash Tomsick, John A. Fornasini, Francesca M. Krivonos, Roman Stern, Daniel Mori, Kaya Rahoui, Farid Boggs, Steven E. Christensen, Finn E. Craig, William W. Hailey, Charles J. Harrison, Fiona A. Zhang, William W. TI NuSTAR DISCOVERY OF A CYCLOTRON LINE IN THE ACCRETING X-RAY PULSAR IGR J16393-4643 SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; gamma-ray burst: general; stars: neutron; X-rays: binaries; X-rays: individual (IGR J16393-4643) ID BURST ALERT TELESCOPE; GALACTIC PLANE SURVEY; SPECTRAL-ANALYSIS; SURVEY CATALOG; TIME-SERIES; SPACED DATA; NORMA ARM; SPIN-UP; BINARIES; PERIOD AB The high-mass X-ray binary and accreting X-ray pulsar IGR J16393-4643 was observed by the Nuclear Spectroscope Telescope Array in the 3-79 keV energy band for a net exposure time of 50 ks. We present the results of this observation which enabled the discovery of a cyclotron resonant scattering feature with a centroid energy of 29.3(-1.3)(+1.1) keV. This allowed us to measure the magnetic field strength of the neutron star for the first time: B = (2.5 +/- 0.1) x 1012 G. The known pulsation period is now observed at 904.0 +/- 0.1 s. Since 2006, the neutron star has undergone a long-term spin-up trend at a rate of (P) over dot = -2 x 10(-8) s s(-1) (0.6 s per year, or a frequency derivative of (v) over dot = 3 x 10(-14) Hz s(-1)). In the power density spectrum, a break appears at the pulse frequency which separates the zero slope at low frequency from the steeper slope at high frequency. This addition of angular momentum to the neutron star could be due to the accretion of a quasi-spherical wind, or it could be caused by the transient appearance of a prograde accretion disk that is nearly in corotation with the neutron star whose magnetospheric radius is around 2 x 10(8) cm. C1 [Bodaghee, Arash] Georgia Coll & State Univ, Milledgeville, GA 31061 USA. [Tomsick, John A.; Fornasini, Francesca M.; Boggs, Steven E.; Craig, William W.] Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. [Fornasini, Francesca M.] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. [Krivonos, Roman] Russian Acad Sci, Space Res Inst, Profsoyuznaya 84-32, Moscow 117997, Russia. [Stern, Daniel] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Mori, Kaya; Hailey, Charles J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Rahoui, Farid] European So Observ, Karl Schwarzschild Str 2, D-85748 Garching, Germany. [Rahoui, Farid] Harvard Univ, Dept Astron, 60 Garden St, Cambridge, MA 02138 USA. [Christensen, Finn E.] Tech Univ Denmark, Natl Space Inst, DTU Space, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, William W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Harrison, Fiona A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Zhang, William W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Bodaghee, A (reprint author), Georgia Coll & State Univ, Milledgeville, GA 31061 USA. RI Boggs, Steven/E-4170-2015; OI Boggs, Steven/0000-0001-9567-4224; Rahoui, Farid/0000-0001-7655-4120; Krivonos, Roman/0000-0003-2737-5673 FU National Science Foundation; Russian Science Foundation [14-22-00271]; National Aeronautics and Space Administration FX The authors are grateful to the anonymous referee for their constructive criticism that helped improve the quality of the manuscript. A.B. thanks Dr. Konstantin Postnov. F.M.F. acknowledges support from the National Science Foundation Graduate Research Fellowship. R.K. acknowledges support from from Russian Science Foundation (grant 14-22-00271). The scientific results reported in this article are based on 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; data obtained from the High Energy Astrophysics Science Archive Research Center (HEASARC) provided by NASA's Goddard Space Flight Center; NASA's Astrophysics Data System Bibliographic Services; and the SIMBAD database operated at CDS, Strasbourg, France. NR 56 TC 0 Z9 0 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 JUN 1 PY 2016 VL 823 IS 2 AR 146 DI 10.3847/0004-637X/823/2/146 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000077 ER PT J AU Cao, Y Johansson, J Nugent, PE Goobar, A Nordin, J Kulkarni, SR Cenko, SB Fox, OD Kasliwal, MM Fremling, C Amanullah, R Hsiao, EY Perley, DA Bue, BD Masci, FJ Lee, WH Chotard, N AF Cao, Yi Johansson, J. Nugent, Peter E. Goobar, A. Nordin, Jakob Kulkarni, S. R. Cenko, S. Bradley Fox, Ori D. Kasliwal, Mansi M. Fremling, C. Amanullah, R. Hsiao, E. Y. Perley, D. A. Bue, Brian D. Masci, Frank J. Lee, William H. Chotard, Nicolas TI ABSENCE OF FAST-MOVING IRON IN AN INTERMEDIATE TYPE Ia SUPERNOVA BETWEEN NORMAL AND SUPER-CHANDRASEKHAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae: general; supernovae: individual (iPTF13asv); ultraviolet: general ID HUBBLE-SPACE-TELESCOPE; WHITE-DWARF STAR; SN 2011FE; LIGHT CURVES; ULTRAVIOLET OBSERVATIONS; FACTORY OBSERVATIONS; PROGENITOR SYSTEM; CARBON IGNITION; COMPANION STAR; LEGACY SURVEY AB In this paper, we report observations of a peculiar SN Ia iPTF13asv (a.k.a., SN2013cv) from the onset of the explosion to months after its peak. The early-phase spectra of iPTF13asv show an absence of iron absorption, indicating that synthesized iron elements are confined to low-velocity regions of the ejecta, which, in turn, implies a stratified ejecta structure along the line of sight. Our analysis of iPTF13asv's light curves and spectra shows that it is an intermediate case between normal and super-Chandrasekhar events. On the one hand, its light curve shape (B-band Delta m(15)=1.03 +/- 0.01) and overall spectral features resemble those of normal SNe Ia. On the other hand, its large peak optical and UV luminosity (M-B = -19.84 mag, M-uvm2 = -15.5 mag) and its low but almost constant Si II velocities of about 10,000 km s (1) are similar to those in super-Chandrasekhar events, and its persistent carbon signatures in the spectra are weaker than those seen commonly in super-Chandrasekhar events. We estimate a Ni-56 mass of 0.81(-0.18)(+0.10) M-circle dot and a total ejecta mass of 1.59(-0.12)(+0.45) M-circle dot. The large ejecta mass of iPTF13asv and its stratified ejecta structure together seemingly favor a double-degenerate origin. C1 [Cao, Yi; Kulkarni, S. R.; Kasliwal, Mansi M.; Perley, D. A.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Johansson, J.] Weizmann Inst Sci, Benoziyo Ctr Astrophys, IL-76100 Rehovot, Israel. [Nugent, Peter E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Computat Res Div, 1 Cyclotron Rd,MS 50B-4206, Berkeley, CA 94720 USA. [Nugent, Peter E.; Fox, Ori D.] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. [Goobar, A.; Amanullah, R.] Stockholm Univ, Dept Phys, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Nordin, Jakob] Humboldt Univ, Inst Phys, Newtonstr 15, D-12489 Berlin, Germany. [Cenko, S. Bradley] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Mail Code 661, Greenbelt, MD 20771 USA. [Cenko, S. Bradley] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Fox, Ori D.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Kasliwal, Mansi M.] Observ Carnegie Inst Sci, 813 Santa Barbara St, Pasadena, CA 91101 USA. [Fremling, C.] Stockholm Univ, Oskar Klein Ctr, Dept Astron, AlbaNova, SE-10691 Stockholm, Sweden. [Hsiao, E. Y.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Hsiao, E. Y.] Aarhus Univ, Dept Phys & Astron, Ny Munkegade 120, DK-8000 Aarhus C, Denmark. [Bue, Brian D.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91125 USA. [Masci, Frank J.] CALTECH, Infrared Proc & Anal Ctr, MS 100-22, Pasadena, CA 91125 USA. [Lee, William H.] Univ Nacl Autonoma Mexico, Inst Astron, Apdo Postal 70-264,Cd Univ, Mexico City 04510, DF, Mexico. [Chotard, Nicolas] Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, F-69621 Villeurbanne, France. RP Cao, Y (reprint author), CALTECH, Dept Astron, Pasadena, CA 91125 USA. FU Swift Guest Investigator program; National Science Foundation; National Science Foundation PIRE program [1545949]; Swedish Research Council; Swedish Space Board; Danish Agency for Science and Technology and Innovation through a Sapere Aude Level 2 grant; NASA [NNX09AH71G, NNX09AT02G, NNX10AI27G, NNX12AE66G]; CONACyT [LN 260369]; UNAM PAPIIT [IG100414]; National Aeronautics and Space Administration FX This research is partly supported by the Swift Guest Investigator program and by the National Science Foundation. Y.C. and M.M.K. acknowledge support from the National Science Foundation PIRE program grant 1545949. A.G. and R. A. acknowledge support from the Swedish Research Council and the Swedish Space Board. E.Y.H. acknowledges the support provided by the Danish Agency for Science and Technology and Innovation through a Sapere Aude Level 2 grant.; We also thank the RATIR project team and the staff of the Observatorio Astronomic Nacional on Sierra San Pedro Martir. RATIR is a collaboration between the University of California, the Universidad Nacional Autonoma de Mexico, NASA Goddard Space Flight Center, and Arizona State University, benefiting from the loan of an H2RG detector and hardware and software support from Teledyne Scientific and Imaging. RATIR, the automation of the Harold L. Johnson Telescope of the Observatorio Astronomic Nacional on Sierra San Pedro Martir and the operation of both is funded through NASA grants NNX09AH71G, NNX09AT02G, NNX10AI27G, and NNX12AE66G, CONACyT grants LN 260369, and UNAM PAPIIT grant IG100414.; A portion of this work was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. Copyright 2016 California Institute of Technology. All Rights Reserved. US Government Support Acknowledged. NR 107 TC 0 Z9 0 U1 2 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 JUN 1 PY 2016 VL 823 IS 2 AR 147 DI 10.3847/0004-637X/823/2/147 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000078 ER PT J AU Dong, RB Vorobyov, E Pavlyuchenkov, Y Chiang, E Liu, HB AF Dong, Ruobing Vorobyov, Eduard Pavlyuchenkov, Yaroslav Chiang, Eugene Liu, Hauyu Baobab TI SIGNATURES OF GRAVITATIONAL INSTABILITY IN RESOLVED IMAGES OF PROTOSTELLAR DISKS SO ASTROPHYSICAL JOURNAL LA English DT Article DE circumstellar matter; methods: numerical; planets and satellites: formation; protoplanetary disks; stars: formation; stars: pre-main sequence ID YOUNG STELLAR OBJECTS; SCATTERED-LIGHT IMAGES; PROTOPLANETARY DISKS; GIANT PLANETS; HL TAU; IMAGING POLARIMETRY; CIRCUMSTELLAR DISCS; MAGNETIC BRAKING; BROWN DWARFS; RADIATIVE-TRANSFER AB Protostellar (class 0/I) disks, which have masses comparable to those of their nascent host stars and are fed continuously from their natal infalling envelopes, are prone to gravitational instability (GI). Motivated by advances in near-infrared (NIR) adaptive optics imaging and millimeter-wave interferometry, we explore the observational signatures of GI in disks using hydrodynamical and Monte Carlo radiative transfer simulations to synthesize NIR scattered light images and millimeter dust continuum maps. Spiral arms induced by GI, located at disk radii of hundreds of astronomical units, are local overdensities and have their photospheres displaced to higher altitudes above the disk midplane; therefore, arms scatter more NIR light from their central stars than inter-arm regions, and are detectable at distances up to 1 kpc by Gemini/GPI, VLT/SPHERE, and Subaru/HiCIAO/SCExAO. In contrast, collapsed clumps formed by disk fragmentation have such strong local gravitational fields that their scattering photospheres are at lower altitudes; such fragments appear fainter than their surroundings in NIR scattered light. Spiral arms and streamers recently imaged in four FU Ori systems at NIR wavelengths resemble GI-induced structures and support the interpretation that FUors are gravitationally unstable protostellar disks. At millimeter wavelengths, both spirals and clumps appear brighter in thermal emission than the ambient disk and can be detected by ALMA at distances up to 0.4 kpc with one hour integration times at similar to 0 ''.1 resolution. Collapsed fragments having masses greater than or similar to 1 M-J can be detected by ALMA within similar to 10 minutes. C1 [Dong, Ruobing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dong, Ruobing; Chiang, Eugene] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. [Vorobyov, Eduard] Univ Vienna, Dept Astrophys, A-1180 Vienna, Austria. [Vorobyov, Eduard] Southern Fed Univ, Inst Phys Res, Stachki 194, Rostov Na Donu 344090, Russia. [Pavlyuchenkov, Yaroslav] Russian Acad Sci, Inst Astron, Moscow V71, Russia. [Liu, Hauyu Baobab] ESO, Karl Schwarzschild Str 2, D-85748 Garching, Germany. RP Dong, RB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rdong2013@berkeley.edu RI Pavlyuchenkov, Yaroslav/C-7622-2017 FU NASA through Hubble Fellowship [HST-HF-51320.01-A]; NASA [NAS 5-26555]; RFBR [14-02-00719]; National Science Foundation; Berkeley's Center for Integrative Planetary Science; Space Telescope Science Institute FX We thank the anonymous referee for constructive suggestions that improved the quality of the paper, and Jim Stone for insightful discussions. This project is partially supported by NASA through Hubble Fellowship grant HST-HF-51320.01-A awarded to R.D. by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555. E.I.V. and Y.P. acknowledge partial support from the RFBR grant 14-02-00719. E.C. is grateful for support from NASA, the National Science Foundation, and Berkeley's Center for Integrative Planetary Science. NR 100 TC 6 Z9 6 U1 1 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 JUN 1 PY 2016 VL 823 IS 2 AR 141 DI 10.3847/0004-637X/823/2/141 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000072 ER PT J AU Flender, S Bleem, L Finkel, H Habib, S Heitmann, K Holder, G AF Flender, Samuel Bleem, Lindsey Finkel, Hal Habib, Salman Heitmann, Katrin Holder, Gilbert TI SIMULATIONS OF THE PAIRWISE KINEMATIC SUNYAEV-ZEL'DOVICH SIGNAL SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic background radiation; cosmology: theory; galaxies: clusters: intracluster medium ID MICROWAVE BACKGROUND ANISOTROPIES; DIGITAL SKY SURVEY; PECULIAR CLUSTER VELOCITIES; 1ST SPECTROSCOPIC DATA; SOUTH-POLE TELESCOPE; SZ POWER SPECTRUM; GALAXY CLUSTERS; DARK-MATTER; DATA RELEASE; INTRACLUSTER GAS AB The pairwise kinematic Sunyaev-Zel'dovich (kSZ) signal from galaxy clusters is a probe of their line of sight momenta, and thus a potentially valuable source of cosmological information. In addition to the momenta, the amplitude of the measured signal depends on the properties of the intracluster gas and observational limitations such as errors in determining cluster centers and redshifts. In this work, we simulate the pairwise kSZ signal of clusters at z < 1, using the output from a cosmological N-body simulation and including the properties of the intracluster gas via a model that can be varied in post-processing. We find that modifications to the gas profile due to star formation and feedback reduce the pairwise kSZ amplitude of clusters by similar to 50%, relative to the naive "gas traces mass" assumption. We demonstrate that miscentering can reduce the overall amplitude of the pairwise kSZ signal by up to 10%, while redshift errors can lead to an almost complete suppression of the signal at small separations. We confirm that a high-significance detection is expected from the combination of data from current generation, high-resolution cosmic microwave background experiments, such as the South Pole Telescope, and cluster samples from optical photometric surveys, such as the Dark Energy Survey. Furthermore, we forecast that future experiments such as Advanced ACTPol in conjunction with data from the Dark Energy Spectroscopic Instrument will yield detection significances of at least 20 sigma, and up to 57 sigma in an optimistic scenario. Our simulated maps are publicly available at http://www.hep.anl.gov/cosmology/ksz.html. C1 [Flender, Samuel; Bleem, Lindsey; Habib, Salman; Heitmann, Katrin] Argonne Natl Lab, HEP Div, 9700 South Cass Ave, Lemont, IL 60439 USA. [Flender, Samuel; Bleem, Lindsey; Habib, Salman; Heitmann, Katrin] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Finkel, Hal] Argonne Natl Lab, ALCF Div, Lemont, IL 60439 USA. [Habib, Salman; Heitmann, Katrin] Argonne Natl Lab, MCS Div, 9700 S Cass Ave, Argonne, IL USA. [Holder, Gilbert] McGill Univ, Dept Phys, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada. RP Flender, S (reprint author), Argonne Natl Lab, HEP Div, 9700 South Cass Ave, Lemont, IL 60439 USA.; Flender, S (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. FU National Science Foundation grant [PHY-1066293]; U.S. Department of Energy [DE-AC02-06CH11357]; DOE/SC [DE-AC02-06CH11357]; National Energy Research Scientific Computing Center; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; National Sciences and Engineering Research Council of Canada; Canadian Institute for Advanced Research FX We acknowledge use of the software packages Healpix (Gorski et al. 2005) and CAMB (http://camb.info/). We thank Suman Bhattacharya for helpful discussions and for contributing some of his code. Members of the HACC team-Nicholas Frontiere, Vitali Morozov, and Adrian Pope-made significant contributions to the simulation effort. We thank Martin White for helpful comments on a first draft of this work and Olivier Dore for discussions regarding SPHEREx. We further thank Tom Crawford, Ryan Keisler, Kyle Story, Bjoern Soergel, and Tommaso Giannantonio for helpful discussions related to this work. We thank the referee for helpful comments on an earlier version of this work. This collaboration was initiated (2014 Summer Program) at the Aspen Center for Physics, which is supported by National Science Foundation grant PHY-1066293. Argonne National Laboratory's work was supported under the U.S. Department of Energy contract DE-AC02-06CH11357. This research used resources of the ALCF, which is supported by DOE/SC under contract DE-AC02-06CH11357 and 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 DE-AC02-05CH11231. G.H. acknowledges funding from the National Sciences and Engineering Research Council of Canada and the Canadian Institute for Advanced Research. NR 75 TC 5 Z9 5 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 JUN 1 PY 2016 VL 823 IS 2 AR 98 DI 10.3847/0004-637X/823/2/98 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000029 ER PT J AU Harris, CE Nugent, PE Kasen, DN AF Harris, Chelsea E. Nugent, Peter E. Kasen, Daniel N. TI AGAINST THE WIND: RADIO LIGHT CURVES OF TYPE IA SUPERNOVAE INTERACTING WITH LOW-DENSITY CIRCUMSTELLAR SHELLS SO ASTROPHYSICAL JOURNAL LA English DT Article DE circumstellar matter; novae, cataclysmic variables; supernovae: general; supernovae: individual ID X-RAY OBSERVATIONS; SN 2011FE; PROGENITOR SYSTEM; EMISSION; STAR; ENVIRONMENT; SPECTRA; NOVAE AB For decades a wide variety of observations spanning the radio through optical and on to the X-ray have attempted to uncover signs of type Ia supernovae (SNe Ia) interacting with a circumstellar medium (CSM). The goal of these studies is to constrain the nature of the hypothesized SN Ia mass-donor companion. A continuous CSM is typically assumed when interpreting observations of interaction. However, while such models have been successfully applied to core-collapse SNe, the assumption of continuity may not be accurate for SNe Ia, because shells of CSM could be formed by pre-supernova eruptions (novae). In this work, we model the interaction of SNe with a spherical, low-density, finite-extent CSM and create a suite of synthetic radio synchrotron light curves. We find that CSM shells produce sharply peaked light curves. We also identify a fiducial set of models that obey a common evolution and can be used to generate radio light curves for an interaction with an arbitrary shell. The relations obeyed by the fiducial models can be used to deduce CSM properties from radio observations; we demonstrate this by applying them to the nondetections of SN 2011fe and SN 2014J. Finally, we explore a multiple shell CSM configuration and describe its more complicated dynamics and the resultant radio light curves. C1 [Harris, Chelsea E.; Nugent, Peter E.; Kasen, Daniel N.] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. [Nugent, Peter E.; Kasen, Daniel N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Harris, CE (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM chelseaharris@berkeley.edu FU Department of Energy FX The authors thank the anonymous referee for improving the clarity of this manuscript. C.E.H. is supported by the Department of Energy Computational Science Graduate Fellowship. NR 27 TC 0 Z9 0 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2016 VL 823 IS 2 AR 100 DI 10.3847/0004-637X/823/2/100 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000031 ER PT J AU Hartigan, P Foster, J Frank, A Hansen, E Yirak, K Liao, AS Graham, P Wilde, B Blue, B Martinez, D Rosen, P Farley, D Paguio, R AF Hartigan, P. Foster, J. Frank, A. Hansen, E. Yirak, K. Liao, A. S. Graham, P. Wilde, B. Blue, B. Martinez, D. Rosen, P. Farley, D. Paguio, R. TI WHEN SHOCK WAVES COLLIDE SO ASTROPHYSICAL JOURNAL LA English DT Article DE Herbig-Haro objects; hydrodynamics; ISM: jets and outflows; methods: laboratory: atomic; shock waves; stars: jets ID MACH REFLECTION; STEADY FLOWS; TRANSITION; EVOLUTION AB Supersonic outflows from objects as varied as stellar jets, massive stars, and novae often exhibit multiple shock waves that overlap one another. When the intersection angle between two shock waves exceeds a critical value, the system reconfigures its geometry to create a normal shock known as a Mach stem where the shocks meet. Mach stems are important for interpreting emission-line images of shocked gas because a normal shock produces higher postshock temperatures, and therefore a higher-excitation spectrum than does an oblique shock. In this paper, we summarize the results of a series of numerical simulations and laboratory experiments designed to quantify how Mach stems behave in supersonic plasmas that are the norm in astrophysical flows. The experiments test analytical predictions for critical angles where Mach stems should form, and quantify how Mach stems grow and decay as intersection angles between the incident shock and a surface change. While small Mach stems are destroyed by surface irregularities and subcritical angles, larger ones persist in these situations and can regrow if the intersection angle changes to become more favorable. The experimental and numerical results show that although Mach stems occur only over a limited range of intersection angles and size scales, within these ranges they are relatively robust, and hence are a viable explanation for variable bright knots observed in Hubble Space Telescope images at the intersections of some bow shocks in stellar jets. C1 [Hartigan, P.; Liao, A. S.] Rice Univ, Dept Phys & Astron, 6100 S Main St, Houston, TX 77005 USA. [Foster, J.; Graham, P.; Rosen, P.] AWE, Reading RG7 4PR, Berks, England. [Frank, A.; Hansen, E.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Yirak, K.; Wilde, B.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Blue, B.; Paguio, R.] Gen Atom, 3550 Gen Atom Court, San Diego, CA 92121 USA. [Martinez, D.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Farley, D.] Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. RP Hartigan, P (reprint author), Rice Univ, Dept Phys & Astron, 6100 S Main St, Houston, TX 77005 USA. FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; National Laser Users Facility (NLUF) [DE-NA0002037, DE-NA0002722] FX This research is supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944 (for operations of the Omega Facility) and National Laser Users Facility (NLUF) grants DE-NA0002037 and DE-NA0002722 to the PI. We would like to thank the staff at LLE for their efficiency and helpfulness with the experiment, and General Atomics for their expertise with manufacturing the targets used in the experiments. A helpful referee motivated us to explore Mach numbers more thoroughly and improved the overall presentation of the paper. NR 28 TC 1 Z9 1 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2016 VL 823 IS 2 AR 148 DI 10.3847/0004-637X/823/2/148 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000079 ER PT J AU Mckinven, R Cumming, A Medin, Z Schatz, H AF Mckinven, Ryan Cumming, Andrew Medin, Zach Schatz, Hendrik TI A SURVEY OF CHEMICAL SEPARATION IN ACCRETING NEUTRON STARS SO ASTROPHYSICAL JOURNAL LA English DT Article DE dense matter; stars: neutron; X-rays: binaries; X-rays: individual (MXB 1659-29, KS 1731-260, XTE J1701-462) ID COMPOSITIONALLY DRIVEN CONVECTION; MAGNETIC-FIELD EVOLUTION; COOLING LIGHT CURVES; HYDROGEN; CRUSTS; OCEANS; STATE AB The heavy element ashes of rp-process hydrogen and helium burning in accreting neutron stars are compressed to high density where they freeze, forming the outer crust of the star. We calculate the chemical separation on freezing for a number of different nuclear mixtures resulting from a range of burning conditions for the rp-process. We confirm the generic result that light nuclei are preferentially retained in the liquid and heavy nuclei in the solid. This is in agreement with the previous study of a 17-component mixture of rp-process ashes by Horowitz et al., but extends that result to a much larger range of compositions. We also find an alternative phase separation regime for the lightest ash mixtures which does not demonstrate this generic behavior. With a few exceptions, we find that chemical separation reduces the expected Q(imp) in the outer crust compared to the initial rp-process ash, where Q(imp) measures the mean-square dispersion in atomic number Z of the nuclei in the mixture. We find that the fractional spread of Z plays a role in setting the amount of chemical separation and is strongly correlated to the divergence between the two/three-component approximations and the full component model. The contrast in Ye between the initial rp-process ashes and the equilibrium liquid composition is similar to that assumed in earlier two-component models of compositionally driven convection, except for very light compositions which produce nearly negligible convective driving. We discuss the implications of these results for observations of accreting neutron stars. C1 [Mckinven, Ryan; Cumming, Andrew] McGill Univ, Dept Phys, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada. [Mckinven, Ryan; Cumming, Andrew] McGill Univ, McGill Space Inst, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada. [Medin, Zach] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Schatz, Hendrik] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Schatz, Hendrik] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Mckinven, R (reprint author), McGill Univ, Dept Phys, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada.; Mckinven, R (reprint author), McGill Univ, McGill Space Inst, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada. EM ryan.mckinven@mail.mcgill.ca; cumming@physics.mcgill.ca; zmedin@lanl.gov FU NSERC; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory; National Science Foundation [PHY-1430152, PHY-1102511]; [DE-AC52-06NA25396]; [DE-FG02-87ER40317] FX A.C. is supported by an NSERC Discovery grant, is a member of the Centre de Recherche en Astrophysique du Quebec (CRAQ), and an Associate of the CIFAR Cosmology and Gravity program. Z.M. recognizes the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory and supported by Contract Nos. DE-AC52-06NA25396 and DE-FG02-87ER40317. H.S. acknowledges support from the National Science Foundation under Grant No. PHY-1430152 (JINA Center for the Evolution of the Elements) and PHY-1102511. NR 30 TC 1 Z9 1 U1 2 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 JUN 1 PY 2016 VL 823 IS 2 AR 117 DI 10.3847/0004-637X/823/2/117 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000048 ER PT J AU Randall, SW Clarke, TE van Weeren, RJ Intema, HT Dawson, WA Mroczkowski, T Blanton, EL Bulbul, E Giacintucci, S AF Randall, S. W. Clarke, T. E. van Weeren, R. J. Intema, H. T. Dawson, W. A. Mroczkowski, T. Blanton, E. L. Bulbul, E. Giacintucci, S. TI MULTI-WAVELENGTH OBSERVATIONS OF THE DISSOCIATIVE MERGER IN THE GALAXY CLUSTER CIZA J0107.7+5408 SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; galaxies: clusters: general; galaxies: clusters: individual (CIZA J0107.7+5408); galaxies: clusters: intracluster medium; X-rays: galaxies: clusters ID X-RAY SPECTROSCOPY; INTERACTION CROSS-SECTION; DIFFUSE RADIO-EMISSION; DARK-MATTER; SHOCK-WAVES; CHANDRA OBSERVATIONS; COMA CLUSTER; DATA RELEASE; MILKY-WAY; ACCELERATION AB We present results based on X-ray, optical, and radio observations of the massive galaxy cluster CIZA J0107.7+5408. We find that this system is a post-core-passage, dissociative, binary merger, with the optical galaxy density peaks of each subcluster leading their associated X-ray emission peaks. This separation occurs because the diffuse gas experiences ram pressure forces, while the effectively collisionless galaxies (and presumably their associated dark matter (DM) halos) do not. This system contains double-peaked diffuse radio emission,. possibly a double radio relic with the relics lying along the merger axis and also leading the X-ray cores. We find evidence for a temperature peak associated with the SW relic, likely created by the same merger shock that is powering the relic radio emission in this region. Thus, this system is a relatively rare, clean example of a dissociative binary merger, which can in principle be used to place constraints on the self-interaction cross-section of DM. Low-frequency radio observations reveal ultra-steep spectrum diffuse radio emission that is not correlated with the X-ray, optical, or high-frequency radio emission. We suggest that these sources are radio phoenixes, which are preexisting nonthermal particle populations that have been re-energized through adiabatic compression by the same merger shocks that power the radio relics. Finally, we place upper limits on inverse Compton emission from the SW radio relic. C1 [Randall, S. W.; van Weeren, R. J.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Clarke, T. E.] Naval Res Lab, 4555 Overlook Ave SW,Code 7213, Washington, DC 20375 USA. [Intema, H. T.] Natl Radio Astron Observ, 1003 Lopezville Rd, Socorro, NM 87801 USA. [Dawson, W. A.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Mroczkowski, T.] US Naval Res Lab, 4555 Overlook Ave SW, Washington, DC 20375 USA. [Blanton, E. L.] Boston Univ, Dept Astron, 725 Commonwealth Ave, Boston, MA 02215 USA. [Blanton, E. L.] Boston Univ, Inst Astrophys Res, 725 Commonwealth Ave, Boston, MA 02215 USA. [Bulbul, E.] MIT, Kavli Inst Astrophys & Space Res, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Giacintucci, S.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. RP Randall, SW (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. EM srandall@cfa.harvard.edu RI Intema, Huib/D-1438-2012; OI Intema, Huib/0000-0002-5880-2730; Mroczkowski, Tony/0000-0003-3816-5372; van Weeren, Reinout/0000-0002-0587-1660 FU Chandra X-ray Center through NASA [NAS8-03060]; Smithsonian Institution; Chandra X-ray Observatory grant [GO3-14134X] FX Support for this work was partially provided by the Chandra X-ray Center through NASA contract NAS8-03060, the Smithsonian Institution, and by the Chandra X-ray Observatory grant GO3-14134X. Basic research in radio astronomy at the Naval Research Laboratory is supported by 6.1 Base funding. 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 staff of the GMRT who have made these GMRT observations possible. GMRT is run by the National Centre for Radio Astrophysics of the Tata Institute of Fundamental Research. The National Radio Astronomy Observatory is a facility of the National Science Foundation operated under cooperative agreement by Associated Universities, Inc. We thank Dale Kocevski for providing spectroscopic redshifts for the BCGs and Paul Nulsen for useful discussions. NR 67 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2016 VL 823 IS 2 AR 94 DI 10.3847/0004-637X/823/2/94 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000025 ER PT J AU Swaczyna, P Bzowski, M Christian, ER Funsten, HO McComas, DJ Schwadron, NA AF Swaczyna, P. Bzowski, M. Christian, E. R. Funsten, H. O. McComas, D. J. Schwadron, N. A. TI DISTANCE TO THE IBEX RIBBON SOURCE INFERRED FROM PARALLAX SO ASTROPHYSICAL JOURNAL LA English DT Article DE instrumentation: detectors; ISM: atoms; methods: data analysis; parallaxes; Sun: heliosphere ID INTERSTELLAR-BOUNDARY-EXPLORER; NEUTRAL ATOM FLUX; SOLAR-WIND; TERMINATION SHOCK; MAGNETIC-FIELD; CHI-SQUARE; ENA FLUX; HELIOSPHERE; MODEL; HELIOPAUSE AB Maps of energetic neutral atom (ENA) fluxes obtained from observations made by the Interstellar Boundary Explorer (IBEX) revealed a bright structure extending over the sky, subsequently dubbed the IBEX ribbon. The ribbon had not been expected from the existing models and theories prior to IBEX, and a number of mechanisms have since been proposed to explain the observations. In these mechanisms, the observed ENAs emerge from source plasmas located at different distances from the Sun. Since each part of the sky is observed by IBEX twice during the year from opposite sides of the Sun, the apparent position of the ribbon as observed in the sky is shifted due to parallax. To determine the ribbon's parallax, we found the precise location of the maximum signal of the ribbon observed in each orbital arc. The apparent positions obtained were subsequently corrected for the Compton-Getting effect, gravitational deflection, and radiation pressure. Finally, we selected a part of the ribbon where its position is similar in the different IBEX energy passbands. We compared the apparent positions obtained from the viewing locations on the opposite sides of the Sun, and found that they are shifted by a parallax angle of 0 degrees.41 +/- 0 degrees.15, which corresponds to a distance of 140(-38)(+84) AU. This finding supports models of the ribbon with the source located just outside the heliopause. C1 [Swaczyna, P.; Bzowski, M.] Polish Acad Sci CBK PAN, Space Res Ctr, Bartycka 18A, PL-00716 Warsaw, Poland. [Christian, E. R.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Funsten, H. O.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [McComas, D. J.; Schwadron, N. A.] SW Res Inst, 6220 Culebra Rd, San Antonio, TX 78228 USA. [McComas, D. J.] Univ Texas San Antonio, San Antonio, TX 78249 USA. [Schwadron, N. A.] Univ New Hampshire, Durham, NH 03824 USA. RP Swaczyna, P (reprint author), Polish Acad Sci CBK PAN, Space Res Ctr, Bartycka 18A, PL-00716 Warsaw, Poland. EM pswaczyna@cbk.waw.pl RI Swaczyna, Pawel/O-3098-2013 OI Swaczyna, Pawel/0000-0002-9033-0809 FU National Science Centre, Poland [2015/18/M/ST9/00036]; IBEX mission as a part of NASA's Explorer Program FX The authors from SRC PAS acknowledge the support by National Science Centre, Poland under grant No. 2015/18/M/ST9/00036. Work by the US authors was supported by the IBEX mission as a part of NASA's Explorer Program. NR 56 TC 1 Z9 1 U1 2 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 JUN 1 PY 2016 VL 823 IS 2 AR 119 DI 10.3847/0004-637X/823/2/119 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000050 ER PT J AU Turck-Chieze, S Le Pennec, M Ducret, JE Colgan, J Kilcrease, DP Fontes, CJ Magee, N Gilleron, F Pain, JC AF Turck-Chieze, S. Le Pennec, M. Ducret, J. E. Colgan, J. Kilcrease, D. P. Fontes, C. J. Magee, N. Gilleron, F. Pain, J. C. TI DETAILED OPACITY COMPARISON FOR AN IMPROVED STELLAR MODELING OF THE ENVELOPES OF MASSIVE STARS SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic processes; opacity; plasmas; stars: evolution; stars: interiors; stars: variables: Cepheids ID ROSSELAND-MEAN OPACITIES; LIGHT-ELEMENT OPACITIES; HIGHLY-CHARGED IONS; EQUATION-OF-STATE; CEPHEID PULSATION; ATOMIC-STRUCTURE; B STARS; TRANSITION; CODE; IRON AB Seismic observations have led to doubts or ambiguities concerning the opacity calculations used in stellar physics. Here, we concentrate on the iron-group opacity peak, due to iron, nickel, and chromium, located around T = 200,000 K for densities from 10(-8) to 10(-4) g cm(-3), which creates some convective layers in stellar radiative envelopes for masses between 3 and 18 M-circle dot. These conditions were extensively studied in the 1980s. More recently, inconsistencies between OP and OPAL opacity calculations have complicated the interpretation of seismic observations as the iron-group opacity peak excites acoustic and gravity modes in SPB, beta Cephei, and sdB stars. We investigate the reliability of the theoretical opacity calculations using the modern opacity codes ATOMIC and SCO-RCG. We show their temperature and density dependence for conditions that are achievable in the laboratory and equivalent to astrophysical conditions. We also compare new theoretical opacity spectra with OP spectra and quantify how different approximations impact the Rosseland mean calculations. This detailed study estimates new ATOMIC and SCO-RCG Rosseland mean values for astrophysical conditions which we compare to OP values. Some puzzling questions are still under investigation for iron, but we find a strong increase in the Rosseland mean nickel opacity of a factor between 2 and 6 compared to OP. This appears to be due to the use of extrapolated atomic data for the Ni opacity within the OP calculations. A study on chromium is also shown. C1 [Turck-Chieze, S.; Le Pennec, M.; Ducret, J. E.] CEA, IRFU, SAp, CE Saclay, F-91191 Gif Sur Yvette, France. [Le Pennec, M.; Gilleron, F.; Pain, J. C.] CEA, DAM, DIF, F-91297 Arpajon, France. [Ducret, J. E.] CELIA, UMR5107, 351 Cours Liberat, F-33405 Talence, France. [Colgan, J.; Kilcrease, D. P.] LANL, Div Theoret, Los Alamos, NM 87545 USA. [Fontes, C. J.; Magee, N.] LANL, Comp Phys Div, Los Alamos, NM 87545 USA. RP Turck-Chieze, S (reprint author), CEA, IRFU, SAp, CE Saclay, F-91191 Gif Sur Yvette, France. EM Sylvaine.Turck-Chieze@cea.fr OI Kilcrease, David/0000-0002-2319-5934 FU LULI; CEA/DIF; CEA/DSM; European Communities; French ANR OPACITY; U.S. Department of Energy [DE-AC52-06NA25396] FX The first author would like to thank M.A. Dupret, who has inspired this work, and M. Busquet, D. Gilles, and M. Klapisch for interesting discussions and previous comparisons with HULLAC results. This field has been enriched by discussions with our astrophysical Belgian and Polish colleagues through dedicated meetings that we have organized during these last years. The measurements mentioned in this paper were performed by a French team under the responsibility of F. Thais and S. Bastiani, at the LULI2000 facility with financial support from LULI, CEA/DIF, CEA/DSM, and the European Communities under the contract of Association between EURATOM and CEA. The present work has been supported by the French ANR OPACITY led by the first author. The 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. We are grateful to the anonymous referee for interesting questions and remarks. NR 57 TC 2 Z9 2 U1 5 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2016 VL 823 IS 2 AR 78 DI 10.3847/0004-637X/823/2/78 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN9OV UT WOS:000377410000009 ER PT J AU Meddens, MBM Liu, S Finnegan, PS Edwards, TL James, CD Lidke, KA AF Meddens, Marjolein B. M. Liu, Sheng Finnegan, Patrick S. Edwards, Thayne L. James, Conrad D. Lidke, Keith A. TI Single objective light-sheet microscopy for high-speed whole-cell 3D super-resolution SO BIOMEDICAL OPTICS EXPRESS LA English DT Article ID MOLECULE LOCALIZATION; ILLUMINATION AB We have developed a method for performing light-sheet microscopy with a single high numerical aperture lens by integrating reflective side walls into a microfluidic chip. These 45 degrees side walls generate light-sheet illumination by reflecting a vertical light-sheet into the focal plane of the objective. Light-sheet illumination of cells loaded in the channels increases image quality in diffraction limited imaging via reduction of out-of-focus background light. Single molecule super-resolution is also improved by the decreased background resulting in better localization precision and decreased photo-bleaching, leading to more accepted localizations overall and higher quality images. Moreover, 2D and 3D single molecule superresolution data can be acquired faster by taking advantage of the increased illumination intensities as compared to wide field, in the focused light-sheet. (C) 2016 Optical Society of America C1 [Meddens, Marjolein B. M.; Liu, Sheng; Lidke, Keith A.] Univ New Mexico, Dept Phys & Astron, 1919 Lomas Blvd NE, Albuquerque, NM 87131 USA. [Meddens, Marjolein B. M.] Univ New Mexico, Dept Pathol, 2325 Camino Salud, Albuquerque, NM 87131 USA. [Liu, Sheng] Purdue Univ, Coll Engn, Weldon Sch Biomed Engn, W Lafayette, IN 47907 USA. [Finnegan, Patrick S.; Edwards, Thayne L.; James, Conrad D.] Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA. RP Lidke, KA (reprint author), Univ New Mexico, Dept Phys & Astron, 1919 Lomas Blvd NE, Albuquerque, NM 87131 USA. EM klidke@unm.edu FU NIH/NGMS [1R21GM104691]; NIH [P50GM085273]; Rubicon grant from the Netherlands Organization for Scientific Research (NWO Rubicon) [825.14.020]; U.S. Department of Energys National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to thank Mylan Panteah for technical assistance, Shayna Lucero for cell culture assistance, Dr. Mark Olah for help with the data analysis code and Dr. Diane Lidke for helpful advice and critical reading of the manuscript. The research described in this paper was primarily supported by an NIH/NGMS (1R21GM104691) grant awarded to K.A.L. and C.D.J. Additional support was provided by NIH P50GM085273 and by a Rubicon grant from the Netherlands Organization for Scientific Research (NWO Rubicon 825.14.020) awarded to M.B.M.M. 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 Energys National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 24 TC 0 Z9 0 U1 16 U2 26 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2156-7085 J9 BIOMED OPT EXPRESS JI Biomed. Opt. Express PD JUN 1 PY 2016 VL 7 IS 6 BP 2219 EP 2236 DI 10.1364/BOE.7.002219 PG 18 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA DO1BR UT WOS:000377514000013 PM 27375939 ER PT J AU Fisk, MD Pasyanos, ME AF Fisk, Mark D. Pasyanos, Michael E. TI Significantly Improving Regional Seismic Amplitude Tomography at Higher Frequencies by Determining S-Wave Bandwidth SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID PHASE AMPLITUDES; NORTH-AMERICA; ATTENUATION; DISCRIMINANTS; EARTHQUAKES; EXPLOSIONS; SPECTRA; MOMENT; MODELS; CHINA AB Characterizing regional seismic signals continues to be a difficult problem due to their variability. Calibration of these signals is very important to many aspects of monitoring underground nuclear explosions, including detecting seismic signals, discriminating explosions from earthquakes, and reliably estimating magnitude and yield. Amplitude tomography, which simultaneously inverts for source, propagation, and site effects, is a leading method of calibrating these signals. A major issue in amplitude tomography is the data quality of the input amplitude measurements. Pre-event and prephase signal-to-noise ratio (SNR) tests are typically used but can frequently include bad signals and exclude good signals. The deficiencies of SNR criteria, which are demonstrated here, lead to large calibration errors. To ameliorate these issues, we introduce a semiautomated approach to assess the bandwidth of a spectrum where it behaves physically. We determine the maximum frequency (denoted as F-max) where it deviates from this behavior due to inflections at which noise or spurious signals start to bias the spectra away from the expected decay. We compare two amplitude tomography runs using the SNR and new Fmax criteria and show significant improvements to the stability and accuracy of the tomography output for frequency bands higher than 2 Hz by using our assessments of valid S-wave bandwidth. We compare Q estimates, P/S residuals, and some detailed results to explain the improvements. For frequency bands higher than 4 Hz, needed for effective P/S discrimination of explosions from earthquakes, the new bandwidth criteria sufficiently fix the instabilities and errors so that the residuals and calibration terms are useful for application. C1 [Fisk, Mark D.] Orbital ATK, 8560 Cinderbed Rd,Suite 700, Newington, VA 22122 USA. [Pasyanos, Michael E.] Lawrence Livermore Natl Lab, POB 808,L-046, Livermore, CA 94551 USA. RP Fisk, MD (reprint author), Orbital ATK, 8560 Cinderbed Rd,Suite 700, Newington, VA 22122 USA. EM Mark.Fisk@atk.com RI Pasyanos, Michael/C-3125-2013 FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC5207NA27344] FX We thank Scott Phillips for many useful discussions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC5207NA27344. This is LLNL contribution LLNL-JRNL-676436. NR 27 TC 0 Z9 0 U1 4 U2 13 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD JUN PY 2016 VL 106 IS 3 BP 928 EP 942 DI 10.1785/0120150247 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DO0YK UT WOS:000377504900009 ER PT J AU Giorgi, EE Li, YQ Caberto, CP Beckman, KB Lum-Jones, A Haiman, CA Le Marchand, L Stram, DO Saxena, R Cheng, IN AF Giorgi, Elena E. Li, Yuqing Caberto, Christian P. Beckman, Kenneth B. Lum-Jones, Annette Haiman, Christopher A. Le Marchand, Loic Stram, Daniel O. Saxena, Richa Cheng, Iona TI No Association between the Mitochondrial Genome and Prostate Cancer Risk: The Multiethnic Cohort SO CANCER EPIDEMIOLOGY BIOMARKERS & PREVENTION LA English DT Article ID MUTATIONS AB Background: Mitochondria are involved in many processes that are central to the life and death of a cell. Oxidative phosphorylation (OXPHOS), in particular, is known to be altered in carcinogenesis, leading to an increase in the production of reactive oxidative species and glycolysis, one of the hallmarks of cancer cells. Because of this, genetic variation in the mitochondrial genome, which encodes for part of the OXPHOS pathway, has been suggested to play a role in many cancers, including prostate cancer. Methods: We comprehensively examined the role of the mitochondrial genome and prostate cancer risk in 4,086 prostate cancer cases and 3,698 controls from the Multiethnic Cohort (MEC), testing 350 mitochondrial SNPs (mtSNPs) in five racial/ethnic populations-Africans, Asian Americans, Europeans, Latinos, and Native Hawaiians. Logistic regression was conducted to examine single mitochondrial SNP and haplogroup associations. The sequence kernel association test was conducted for gene and pathway analysis. Results: Eleven mtSNPs and haplogroup N were nominally associated with overall prostate cancer risk at P < 0.05. The mitochondrial DNA-encoded OXPHOS pathway, complexes, and genes were not associated with prostate cancer risk. No significant associations were identified after multiple testing corrections (all FDR q > 0.20). Conclusions: The mitochondrial genome was not associated with prostate cancer risk in our study of 7,784 subjects from the MEC. Impact: Our comprehensive study does not support the role of the mitochondrial genome in the risk of prostate cancer. (C) 2016 AACR. C1 [Giorgi, Elena E.] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM USA. [Li, Yuqing; Cheng, Iona] Canc Prevent Inst Calif, Fremont, CA USA. [Li, Yuqing; Cheng, Iona] Stanford Canc Inst, Palo Alto, CA USA. [Caberto, Christian P.; Lum-Jones, Annette; Le Marchand, Loic] Univ Hawaii, Ctr Canc, Epidemiol Program, Honolulu, HI 96822 USA. [Beckman, Kenneth B.] Univ Minnesota, Genom Ctr, Minneapolis, MN USA. [Haiman, Christopher A.; Stram, Daniel O.] Univ So Calif, Keck Sch Med, Dept Prevent Med, Los Angeles, CA 90033 USA. [Saxena, Richa] Massachusetts Gen Hosp, Dept Anesthesia Crit Care & Pain Med, Ctr Human Genet Res, Boston, MA 02114 USA. [Saxena, Richa] Broad Inst Harvard & MIT, Program Med & Populat Genet, Cambridge, MA USA. RP Giorgi, EE (reprint author), Los Alamos Natl Lab, MS K710, Los Alamos, NM 87544 USA. EM egiorgi@lanl.gov FU NCI [CA140636, CA173782, CA63464, CA54281, CA33619, CA164973, CA98758] FX This work was funded through NCI grants CA140636 (to I. Cheng), CA173782 (to I. Cheng), CA63464 (to B.E. Henderson), CA54281 (to L.N. Kolonel), CA33619 (to L.N. Kolonel), CA164973 (to L. Le Merchand, C. Haiman, L. Wilkens), and CA98758 (to B.E. Henderson). NR 8 TC 1 Z9 1 U1 3 U2 5 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 1055-9965 EI 1538-7755 J9 CANCER EPIDEM BIOMAR JI Cancer Epidemiol. Biomarkers Prev. PD JUN PY 2016 VL 25 IS 6 BP 1001 EP 1003 DI 10.1158/1055-9965.EPI-16-0111 PG 3 WC Oncology; Public, Environmental & Occupational Health SC Oncology; Public, Environmental & Occupational Health GA DO1HC UT WOS:000377528100014 PM 27021046 ER PT J AU Davison, BH Lievense, JC AF Davison, Brian H. Lievense, Jefferson C. TI Technology Challenges and Opportunities SO CHEMICAL ENGINEERING PROGRESS LA English DT Article C1 [Davison, Brian H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lievense, Jefferson C.] GENOMATICA, San Diego, CA USA. RP Davison, BH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 15 TC 3 Z9 3 U1 1 U2 4 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0360-7275 EI 1945-0710 J9 CHEM ENG PROG JI Chem. Eng. Prog. PD JUN PY 2016 VL 112 IS 6 BP 35 EP 42 PG 8 WC Engineering, Chemical SC Engineering GA DO2UM UT WOS:000377635600015 ER PT J AU Zeng, W Sjoberg, M Reuss, DL Hu, ZJ AF Zeng, Wei Sjoeberg, Magnus Reuss, David L. Hu, Zongjie TI The role of spray-enhanced swirl flow for combustion stabilization in a stratified-charge DISI engine SO COMBUSTION AND FLAME LA English DT Article DE Spray-guided stratified-charge DISI engine; Combustion stabilization; Swirl flow and swirl-spray interaction; Flame propagation; High-speed PIV; Flame natural luminosity imaging ID PARTICLE IMAGE VELOCIMETRY; SPARK-IGNITION ENGINE; DIRECT-INJECTION; PROPAGATION; TUMBLE AB Implementation of spray-guided stratified-charge direct-injection spark-ignited (DISI) engines is inhibited by the occurrence of misfire and partial burns. Engine-performance tests demonstrate that increasing engine speed induces combustion instability, but this deterioration can be prevented by generating swirling flow during the intake stroke. In-cylinder pressure-based heat-release analysis reveals that the appearance of poor-burn cycles is not solely dependent on the variability of early flame-kernel growth. Cycles can experience burning-rate regression during later combustion stages and may or may not recover before the end of the cycle. Thermodynamic analysis and optical diagnostics are used here to clarify why swirl improves the combustion repeatability from cycle to cycle. The fluid dynamics of swirl spray interaction was previously demonstrated using high-speed PIV measurements of in-cylinder motored flow. It was found that the sprays of the multi-hole injector redistribute the intake-generated swirl flow momentum, thereby creating a better-centered higher angular momentum vortex with reduced variability. The engine operation with high swirl was found to have significant improvement in cycle-to-cycle variations of both flow pattern and flow momentum. This paper is an extension of the previous work. Here, PIV measurements and flame imaging are applied to fired operation for studying how the swirl flow affects variability of ignition and subsequent combustion phases. PIV results for fired operation are consistent with the measurements made of motored flow. They demonstrate that the spark-plasma motion is highly correlated with the direction of the gas flow in the vicinity of the spark-plug gap. Without swirl, the plasma is randomly stretched towards either side of the spark plug, causing variability in the ignition of the two spray plumes that are straddling the spark plug. In contrast, swirl flow always convects the spark plasma towards one spray plume, causing a more repeatable ignition. The swirl decreases local RMS velocity, consistent with an observed reduction of early-burn variability. Broadband flame imaging demonstrates that with swirl, the flame consistently propagates in multiple directions to consume fuel-air mixtures within the piston bowl. In contrast, operation without swirl displays higher variability of flame-spread patterns, occasionally causing the appearance of partial-burn cycles. (C) 2016 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Zeng, Wei; Sjoeberg, Magnus; Reuss, David L.] Sandia Natl Labs, MS 9053,POB 969, Livermore, CA 94551 USA. [Reuss, David L.] Univ Michigan, 1231 Beal Ave, Ann Arbor, MI 48109 USA. [Hu, Zongjie] Tongji Univ, 1239 Siping Rd, Shanghai 200092, Peoples R China. RP Zeng, W (reprint author), Sandia Natl Labs, MS 9053,POB 969, Livermore, CA 94551 USA. EM wei.g.zeng@gmail.com FU U.S. Department of Energy, Office of Vehicle Technologies; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; China Scholarship Council; National Natural Science Foundation of China [51106113] FX The work was performed at the Combustion Research Facility, Sandia National Laboratories, Livermore, CA. Financial support was provided by the U.S. Department of Energy, Office of Vehicle Technologies. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Dr. Zongjie Hu's visit was financially supported by China Scholarship Council, and National Natural Science Foundation of China (Project no. 51106113). NR 38 TC 2 Z9 2 U1 11 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 JUN PY 2016 VL 168 BP 166 EP 185 DI 10.1016/j.combustflame.2016.03.015 PG 20 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA DN5YZ UT WOS:000377148900015 ER PT J AU Pei, YJ Hawkes, ER Bolla, M Kook, S Goldin, GM Yang, Y Pope, SB Som, S AF Pei, Yuanjiang Hawkes, Evatt R. Bolla, Michele Kook, Sanghoon Goldin, Graham M. Yang, Yue Pope, Stephen B. Som, Sibendu TI An analysis of the structure of an n-dodecane spray flame using TPDF modelling SO COMBUSTION AND FLAME LA English DT Article DE Spray A; Engine Combustion Network; Transported probability density function; Diesel; n-Dodecane ID LARGE-EDDY SIMULATION; DIRECT NUMERICAL-SIMULATION; TURBULENCE-CHEMISTRY INTERACTION; DIFFERENT COMBUSTION VESSELS; IGNITION FRONT PROPAGATION; RAYLEIGH-LIF MEASUREMENTS; DIESEL-ENGINE CONDITIONS; SOURCE-TERM ESTIMATION; JET DIFFUSION FLAME; VITIATED CO-FLOW AB With a view to understanding ignition and combustion behaviours in diesel engines, this study investigates several aspects of ignition and combustion of an n-dodecane spray in a high pressure, high temperature chamber, known as Spray A, using data resulting from modelling using the transported probability density function (TPDF) method. The model has been validated comprehensively with good to excellent agreement in our previous work against all available experimental data including for mixture-fraction and velocity fields in non-reacting cases, and flame lift-off length and ignition delay in reacting cases. This good agreement encourages further investigation of the numerical model results to help understand the structure of this flame, which serves to complement the experimental information that is available, which is very limited due to the difficult experimental conditions in which this flame exists. For example, quantitative experimental measurements of local mixture-fraction, temperature, velocity gradients, etc. are not yet possible in reacting cases. Analysis of the model results shows that two-stage ignition is found to occur across the ambient temperature conditions considered: the first stage is rapidly initiated on the lean side where temperatures are high and sequentially moves to richer, cooler conditions. The first stage is extremely resilient to turbulence, occurring in a region of very low Damkohler number. The second stage of ignition occurs first in rich mixtures in a region behind the head of the fuel jet where mixture gradients are low, and appears to be influenced strongly by turbulence. Relative to a homogeneous reactor, it is delayed on the lean side but advanced on the rich side, suggesting entrainment and mixing from the early igniting lean regions into richer mixtures is an important moderator of the ignition process. The second-stage ignition front propagates at very high velocities initially, suggesting it is a sequential ignition moving according to gradients of ignition delay and/or residence time. The flame stabilises however on the lean side in a region of much lower velocity, where turbulent velocity fluctuations are sufficiently high such that turbulent transport influences the propagation. It stabilises in a region of low Damkohler number which implies that a competition of chemistry versus micro-mixing might also be involved in stabilisation. The stabilisation mechanism is investigated by an analysis of the transport budgets, showing the flame is stabilised by autoignition but moderated by turbulent diffusion. Further analysis of the flame index supports this stabilisation mechanism, and demonstrates the simultaneous existence of non-premixed and premixed combustion modes in the same flame. Analysis of the flow fields also reveals that local entrainment and dilatation are important flow features near the flame base. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Pei, Yuanjiang; Som, Sibendu] Argonne Natl Lab, Transportat Technol Res & Dev Ctr, Argonne, IL 60439 USA. [Hawkes, Evatt R.] Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. [Hawkes, Evatt R.; Bolla, Michele; Kook, Sanghoon] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia. [Goldin, Graham M.] Ansys Inc, Lebanon, NH USA. [Yang, Yue] Peking Univ, Coll Engn, State Key Lab Turbulence & Complex Syst, Beijing 100871, Peoples R China. [Pope, Stephen B.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA. RP Hawkes, ER (reprint author), Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. EM yuanjiang.pei@aramcoservices.com; evatt.hawkes@unsw.edu.au RI Yang, Yue/C-7873-2009; Hawkes, Evatt/C-5307-2012; OI Hawkes, Evatt/0000-0003-0539-7951; Pope, Stephen/0000-0001-5629-0420 FU AusAID via its Australian Leadership Awards program; Australian Research Council; U.S. DOE's Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-FG02-90ER14128] FX Y. Pei acknowledges the support of AusAID via its Australian Leadership Awards program. This work was supported by the Australian Research Council. The research was also supported by access to computational resources on the Australian NCI National Facility through the National Computational Merit Allocation Scheme and Intersect, and the UNSW Faculty of Engineering cluster. This work was also funded by U.S. DOE's Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy under contract no. DE-AC02-06CH11357. The contribution from Cornell University is based upon work supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences under award no. DE-FG02-90ER14128. NR 95 TC 6 Z9 6 U1 10 U2 14 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JUN PY 2016 VL 168 BP 420 EP 435 DI 10.1016/j.combustflame.2015.11.034 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA DN5YZ UT WOS:000377148900033 ER PT J AU Zirnmermann, NER Haranczyk, M AF Zirnmermann, Nils E. R. Haranczyk, Maciej TI History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective SO CRYSTAL GROWTH & DESIGN LA English DT Article ID MOLECULAR-SIEVE; POROUS MATERIALS; ZINCOPHOSPHATE; NUCLEATION; CATALYSTS; SOLIDS; SODIUM AB Mature applications such as fluid catalytic cracking and hydrocracking rely critically on early zeolite structures. With a data-driven approach, we find that the discovery of exceptional zeolite framework types around the new millennium was spurred by exciting new utilization routes. The promising processes have yet not been successfully implemented ("valley of death" effect), mainly because of the lack of thermal stability of the crystals. This foreshadows limited deployability of recent zeolite discoveries that were achieved by novel crystal synthesis routes. C1 [Zirnmermann, Nils E. R.; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Haranczyk, Maciej] IMDEA Mat Inst, Madrid, Spain. RP Zirnmermann, NER (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM nerz@lbl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362]; U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the anonymous reviewer of this Perspective for suggesting discussions of technological substitution barriers and SAPO-34. This work was 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. Lawrence Berkeley National Laboratory is funded by the U.S. Department of Energy under Award DE-AC02-05CH11231. NR 49 TC 0 Z9 0 U1 12 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JUN PY 2016 VL 16 IS 6 BP 3043 EP 3048 DI 10.1021/acs.cgd.6b00272 PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA DN5ZX UT WOS:000377151500001 ER PT J AU Sawada, D Ogawa, Y Nishiyama, Y Togawa, E Kimura, S Langan, P AF Sawada, Daisuke Ogawa, Yu Nishiyama, Yoshiharu Togawa, Eiji Kimura, Satoshi Langan, Paul TI Molecular Interactions in an alpha-Chitin/Hydrazine Complex: Dynamic Hydrogen Bonds and Improvement of Polymeric Crystallinity SO CRYSTAL GROWTH & DESIGN LA English DT Article ID SYNCHROTRON X-RAY; NEUTRON FIBER DIFFRACTION; I-ETHYLENEDIAMINE COMPLEX; ANHYDROUS BETA-CHITIN; C-13 NMR-SPECTRUM; CELLULOSE-I; COMPLETE ASSIGNMENT; INCLUSION COMPLEX; ALIPHATIC-AMINES; AMYLOSE COMPLEX AB The high-resolution structure of an alpha-chitin/hydrazine complex has been determined to reveal the molecular interactions between hydrazine molecules and chitin chains. The complexation with guest hydrazine molecules improves the crystallinity of alpha-chitin from the original form, so that the primary hydroxyl group is dearly located in the gt position on the chitin chains arranged in an antiparallel manner in contrast to the original alpha-chitin structure-which has the disorder between gt and gg positions. During, the complexation process, alpha-chitin chains translate by c/4 to incorporate hydrazine molecules. Molecular dynamics calculations based on the refined structure show that hydrazine nitrogen atoms are disordered with competing hydrogen bonds. These observations suggest a mechanism for the structural conversion of polysaccharides to their crystal solvate forms during penetration by amine molecules. C1 [Sawada, Daisuke; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Ogawa, Yu; Nishiyama, Yoshiharu] Univ Grenoble Alpes, Cermav, F-38000 Grenoble, France. [Togawa, Eiji] FFPRI, POB 16, Tsukuba Norin Kenkyu, Ibaraki 3058687, Japan. [Kimura, Satoshi] Kyoto Univ, Lab Biomass Morphogenesis & Informat Res, Inst Sustainable Humanosphere, Uji, Kyoto 6110011, Japan. [Ogawa, Yu; Nishiyama, Yoshiharu] CNRS, CERMAV, F-38000 Grenoble, France. RP Sawada, D (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.; Ogawa, Y (reprint author), Univ Grenoble Alpes, Cermav, F-38000 Grenoble, France.; Ogawa, Y (reprint author), CNRS, CERMAV, F-38000 Grenoble, France. EM sawadad@ornl.gov; ogawa@cermay.cnrs.fr RI Langan, Paul/N-5237-2015 OI Langan, Paul/0000-0002-0247-3122 FU Japan Society for the Promotion of Science (JSPS); Genomic Science Program of the Office of Biological and Environmental Research, Office of Science, U.S. Department of Energy [FWP ERKP752]; US Department of Energy [DE-AC05-00OR22725] FX Authors thank the Japan Synchrotron Research Institute (JASRI) for the provision of beam time at BL40B2 in SPring-8. Authors thank Dr. Axel Ettori for support with 13C NMR data collection. Y.O. is financially supported by Japan Society for the Promotion of Science (JSPS). P.L. and D.S. were partly funded by the Genomic Science Program of the Office of Biological and Environmental Research, Office of Science, U.S. Department of Energy, under FWP ERKP752, and by the US Department of Energy, managed by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725. NR 61 TC 1 Z9 1 U1 4 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JUN PY 2016 VL 16 IS 6 BP 3345 EP 3352 DI 10.1021/acs.cgd.6b00315 PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA DN5ZX UT WOS:000377151500038 ER PT J AU Lopes, MR Morais, CG Kominek, J Cadete, RM Soares, MA Uetanabaro, APT Fonseca, C Lachance, MA Hittinger, CT Rosa, CA AF Lopes, Mariana R. Morais, Camila G. Kominek, Jacek Cadete, Raquel M. Soares, Marco A. Uetanabaro, Ana Paula T. Fonseca, Cesar Lachance, Marc-Andre Hittinger, Chris Todd Rosa, Carlos A. TI Genomic analysis and D-xylose fermentation of three novel Spathaspora species: Spathaspora girioi sp nov., Spathaspora hagerdaliae f. a., sp nov and Spathaspora gorwiae f. a., sp nov. SO FEMS YEAST RESEARCH LA English DT Article DE novel yeast species; Spathaspora; D-xylose fermentation; genome sequencing; enzymes ID MULTIPLE SEQUENCE ALIGNMENT; ATLANTIC RAIN-FOREST; SACCHAROMYCES-CEREVISIAE; FERMENTING YEAST; GENE PREDICTION; ROTTING WOOD; CANDIDA; TOOL; PASSALIDARUM; ANNOTATION AB Three novel D-xylose-fermenting yeast species of Spathaspora clade were recovered from rotting wood in regions of the Atlantic Rainforest ecosystem in Brazil. Differentiation of new species was based on analyses of the gene encoding the D1/D2 sequences of large subunit of rRNA and on 642 conserved, single-copy, orthologous genes from genome sequence assemblies from the newly described species and 15 closely-related Debaryomycetaceae/Metschnikowiaceae species. Spathaspora girioi sp. nov. produced unconjugated asci with a single elongated ascospore with curved ends; ascospore formation was not observed for the other two species. The three novel species ferment D-xylose with different efficiencies. Spathaspora hagerdaliae sp. nov. and Sp. girioi sp. nov. showed xylose reductase (XR) activity strictly dependent on NADPH, whereas Sp. gorwiae sp. nov. had XR activity that used both NADH and NADPH as co-factors. The genes that encode enzymes involved in D-xylose metabolism (XR, xylitol dehydrogenase and xylulokinase) were also identified for these novel species. The type strains are Sp. girioi sp. nov. UFMG-CM-Y302(T) (= CBS 13476), Sp. hagerdaliae f. a., sp. nov. UFMG-CM-Y303(T) (= CBS 13475) and Sp. gorwiae f. a., sp. nov. UFMG-CM-Y312(T) (= CBS 13472). C1 [Lopes, Mariana R.; Morais, Camila G.; Cadete, Raquel M.; Soares, Marco A.; Rosa, Carlos A.] Univ Fed Minas Gerais, ICB, Dept Microbiol, CP 486, BR-31270901 Belo Horizonte, MG, Brazil. [Lopes, Mariana R.; Kominek, Jacek; Hittinger, Chris Todd] Univ Wisconsin, Wisconsin Energy Inst, JF Crow Inst Study Evolut, Lab Genet,Genome Ctr Wisconsin, Madison, WI 53706 USA. [Morais, Camila G.; Fonseca, Cesar] Unidade Bioenergia, IP, Lab Nacl Energia & Geol, Estr Paco do Lumiar 22, P-1649038 Lisbon, Portugal. [Uetanabaro, Ana Paula T.] Univ Estadual Santa Cruz, Dept Ciencias Biol & Agroind, BR-45662900 Ilheus, BA, Brazil. [Fonseca, Cesar] Aalborg Univ, Sect Sustainable Biotechnol, AC Meyers Vaenge 15, DK-2450 Copenhagen SV, Denmark. [Lachance, Marc-Andre] Univ Western Ontario, Dept Biol, 1151 Richmond St N, London, ON N6A 5B7, Canada. [Hittinger, Chris Todd] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. RP Rosa, CA (reprint author), Univ Fed Minas Gerais, ICB, Dept Microbiol, CP 486, BR-31270901 Belo Horizonte, MG, Brazil. EM carlrosa@icb.ufmg.br RI Fonseca, Cesar/A-6757-2010; OI Fonseca, Cesar/0000-0003-2448-7063; Kominek, Jacek/0000-0002-1916-0122 FU Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq-Brazil) [560715/2010-2, 141563/2011-7, 552877/2007-7, 457499/2014-1]; Fundacao do Amparo a Pesquisa do Estado de Minas Gerais; Financiadora de Estudos e Projetos (FINEP) [2084/07]; Natural Science and Engineering Research Council of Canada; US National Science Foundation [DEB-1442148]; DOE Great Lakes Bioenergy Research Center (US DOE Office of Science) [BER DE-FC02-07ER64494]; USDA National Institute of Food and Agriculture [1003258]; Pew Charitable Trusts; Alexander von Humboldt Foundation FX This work was supported by the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq-Brazil, processes numbers 560715/2010-2, 141563/2011-7, 552877/2007-7 and 457499/2014-1), Fundacao do Amparo a Pesquisa do Estado de Minas Gerais, the Financiadora de Estudos e Projetos (FINEP, process 2084/07), the Natural Science and Engineering Research Council of Canada (MAL), the US National Science Foundation (DEB-1442148), the DOE Great Lakes Bioenergy Research Center (US DOE Office of Science BER DE-FC02-07ER64494) and the USDA National Institute of Food and Agriculture (Hatch project 1003258). CTH is a Pew Scholar in the Biomedical Sciences and an Alfred Toepfer Faculty Fellow, supported by the Pew Charitable Trusts and the Alexander von Humboldt Foundation, respectively. NR 64 TC 1 Z9 1 U1 3 U2 10 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 JUN PY 2016 VL 16 IS 4 AR fow044 DI 10.1093/femsyr/fow044 PG 12 WC Biotechnology & Applied Microbiology; Microbiology; Mycology SC Biotechnology & Applied Microbiology; Microbiology; Mycology GA DO0PR UT WOS:000377481300014 ER PT J AU Jolodosky, A Kramer, K Meier, W DeMuth, J Reyes, S Fratoni, M AF Jolodosky, Alejandra Kramer, Kevin Meier, Wayne DeMuth, James Reyes, Susana Fratoni, Massimiliano TI Neutronics and activation analysis of lithium-based ternary alloys in IFE blankets SO FUSION ENGINEERING AND DESIGN LA English DT Article DE IFE; Ternary; TBR; EMF; Enrichment; Activation ID RESEARCH-AND-DEVELOPMENT; INERTIAL FUSION ENERGY; DESIGN; MODULE; LIFE; TECHNOLOGY; PROGRESS; REACTOR; SAFETY; CHINA AB An attractive feature of using liquid lithium as the breeder and coolant in fusion blankets is that it has very high tritium solubility and results in very low levels of tritium permeation throughout the facility infrastructure. However, lithium metal vigorously reacts with air and water and presents plant safety concerns. The Lawrence Livermore National Laboratory is carrying an effort to develop a lithium-based ternary alloy that maintains the beneficial properties of lithium (e.g. high tritium breeding and solubility) and at the same time reduces overall flammability concerns. This study evaluates the neutronics performance of lithium-based alloys in the blanket of an inertial fusion energy chamber in order to inform such development. 3-D Monte Carlo calculations were performed to evaluate two main neutronics performance parameters for the blanket: tritium breeding ratio (TBR), and the fusion energy multiplication factor (EMF). It was found that elements that exhibit low absorption cross sections and higher q-values such as Pb, Sn, and Sr, perform well with those that have high neutron multiplication such as Pb and Bi. These elements meet TBR constrains ranging from 1.02 to 1.1. However, most alloys do not reach EMFs greater than 1.15. Additionally, it was found that enriching lithium with Li-6 significantly increases the TBR and decreases the minimum lithium concentration by more than 60%. The amount of enrichment depends on how much total lithium is in the alloy to begin with. Alloys that performed well in the TBR and EMF calculations were considered for activation analysis. Activation simulations were executed with 50 years of irradiation and 300 years of cooling. It was discovered that bismuth is a poor choice due to achieving the highest decay heat, contact dose rates, and accident doses. In addition, it does not meet the waste disposal ratings (WDR). Some of the activation results for alloys with Sn, Zn, and Ga were in the higher end and should be considered secondary to elements such as Sr and Ba that had overall better results. The results of this study along with other considerations such as thermodynamics, and chemical reactivity will help down select a preferred lithium ternary alloy. (C) 2016 Elsevier B.V. All rights reserved. C1 [Jolodosky, Alejandra; Fratoni, Massimiliano] Univ Calif Berkeley, Berkeley, CA 94706 USA. [Meier, Wayne; DeMuth, James; Reyes, Susana] TerraPower, Bellevue, WA 98005 USA. [Kramer, Kevin] Lawrence Livermore Natl Lab, POB 808, Livermore, CA USA. RP Jolodosky, A (reprint author), Univ Calif Berkeley, Berkeley, CA 94706 USA. EM aleja311@berkeley.edu OI Fratoni, Massimiliano/0000-0003-0452-0508 FU LLNL LDRD [14-ERD-035]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was support by LLNL LDRD Project 14-ERD-035. Portions of this work were performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 40 TC 0 Z9 0 U1 4 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD JUN PY 2016 VL 107 BP 1 EP 12 DI 10.1016/j.fusengdes.2016.03.071 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DN8DR UT WOS:000377309900001 ER PT J AU Barzi, E Andreev, N Li, P Lombardo, V Turrioni, D Zlobin, AV AF Barzi, E. Andreev, N. Li, P. Lombardo, V. Turrioni, D. Zlobin, A. V. TI Nb3Sn RRP Strand and Rutherford Cable Development for a 15 T Dipole Demonstrator SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnet; critical current density; Nb3Sn strand; residual resistivity ratio; rutherford cable ID FIELD AB Keystoned Rutherford cables made of 28 strands and with a stainless steel core were developed and manufactured using 1-mm Nb3Sn composite wires produced by Oxford Superconducting Technology with 127 and 169 restacks using the Restacked-Rod-Process. The performance and properties of these cables were studied to evaluate possible candidates for 15-T accelerator magnets. C1 [Barzi, E.; Andreev, N.; Li, P.; Lombardo, V.; Turrioni, D.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Barzi, E (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM barzi@fnal.gov FU U.S. Department of Energy; Fermi Research Alliance, LLC [DE-AC02-07CH11359] FX This work was supported in part by the U.S. Department of Energy and in part by the Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359. NR 14 TC 0 Z9 0 U1 4 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4 DI 10.1109/TASC.2016.2535963 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9GF UT WOS:000377386800001 ER PT J AU Green, MA Strauss, BP AF Green, M. A. Strauss, B. P. TI Estimating the Operating Cost of Superconducting Magnet Systems at Various Operating Temperatures SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Superconducting magnet operating cost AB Cost equations exist for estimating the capital cost of LTS superconducting magnets as a function of stored magnetic energy, magnetic induction times the volume, and, for certain magnets, as a function of overall magnet mass. Cost equations exist for 4.5-K refrigerators and coolers as a function of the cooling at the operating temperature for magnets. One of the arguments for the use of superconducting magnets is a large reduction in the operating cost for the magnet. This report discusses methods for estimating the annual operating cost for magnets. Operating costs include the electricity needed to operate the power supply and the magnet refrigeration system. There are other factors that come into play as well. These include the cost of providing cooling for refrigerator compressors and the power supplies. The refrigeration system maintenance cost can be also important. Operating costs should also include liquid helium, helium gas, liquid nitrogen, and the water that is used to cool refrigerators and power supplies. Methods for estimating magnet operating costs will be presented for magnets that operate at 1.8 to 4.5 K, as well as for magnets that operate at temperatures from 20 to 80 K. C1 [Green, M. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Strauss, B. P.] US DOE, Off Sci, Washington, DC 20585 USA. RP Green, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM magreen@lbl.gov; bruce.strauss@.science.doe.gov FU Office of Science, U.S. Department of Energy under DOE [DE-AC-02-05CH11231] FX This work was supported by the Office of Science, U.S. Department of Energy under DOE contract DE-AC-02-05CH11231. (Corresponding author: M. A. Green.) NR 15 TC 2 Z9 2 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4902105 DI 10.1109/TASC.2016.2531619 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9DT UT WOS:000377380200001 ER PT J AU Green, MA Ottarson, J Bollen, G Chouhan, SS DeKamp, J Lawton, D Magsig, C Morrissey, D Schwarz, S Zeller, AF AF Green, M. A. Ottarson, J. Bollen, G. Chouhan, S. S. DeKamp, J. Lawton, D. Magsig, C. Morrissey, D. Schwarz, S. Zeller, A. F. TI Cold Mass Support System for the MSU Superconducting Cyclotron Gas-Stopper Magnet SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cold mass supports; Fe dominated S/C magnet AB The cyclotron gas-stopper magnet at Michigan State University consists of two superconducting coils, each in its own cryostat. The two cryostats are mounted in the two warm iron poles of a sector cyclotron magnet used to control the orbit of heavy ions as the particle energy is being removed by circulating the ions through helium gas. Because the two poles of the magnet must be separated to install the gas chamber and beam extraction system, the magnet coils cannot be connected together. As a result, the magnet cold mass support system must carry the forces pushing the magnet into the iron pole as well as any decentering forces that occur from coil placement errors. The cold mass support system for each magnet coil consists of six compression supports that support magnet forces in the axial direction. In addition, there are three radial supports to center the coil axis coaxial with the axis of the iron poles. This paper presents an analysis of the superconducting magnet cold mass support system, which must be designed to have a spring constant that is higher than the magnet force constant at the full design current for the magnet. C1 [Green, M. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Green, M. A.; Bollen, G.; Chouhan, S. S.; Lawton, D.; Zeller, A. F.] Michigan State Univ, Facil Rare Isotope Beams, E Lansing, MI 48824 USA. [Ottarson, J.; DeKamp, J.; Magsig, C.; Morrissey, D.; Schwarz, S.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. RP Green, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Green, MA (reprint author), Michigan State Univ, Facil Rare Isotope Beams, E Lansing, MI 48824 USA. EM magreen@lbl.gov FU National Science Foundation through Michigan State University [PHY-0958726] FX This work was supported in part by the National Science Foundation through Michigan State University under Grant PHY-0958726. NR 10 TC 1 Z9 1 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 DI 10.1109/TASC.2016.2525779 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9CA UT WOS:000377375600001 ER PT J AU Juchno, M Ambrosio, G Anerella, M Bajas, H Bajko, M Bourcey, N Cheng, DW Felice, H Ferracin, P Grosclaude, P Guinchard, M Perez, JC Prin, H Schmalzle, J AF Juchno, M. Ambrosio, G. Anerella, M. Bajas, H. Bajko, M. Bourcey, N. Cheng, D. W. Felice, H. Ferracin, P. Grosclaude, P. Guinchard, M. Perez, J. C. Prin, H. Schmalzle, J. TI Mechanical Qualification of the Support Structure for MQXF, the Nb3Sn Low-beta Quadrupole for the High Luminosity LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High luminosity LHC; low-beta quadrupoles; Nb3Sn magnets; short model; support structure AB Within the scope of the High-Luminosity LHC project, the collaboration between CERN and U.S. LARP is developing new low-beta quadrupoles using the Nb3Sn superconducting technology for the upgrade of the LHC interaction regions. The magnet support structure of the first short model was designed, and two units were fabricated and tested at CERN and at LBNL. The structure provides the preload to the collar-coil subassembly by an arrangement of outer aluminum shells pretensioned with water-pressurized bladders. For the mechanical qualification of the structure and the assembly procedure, superconducting coils were replaced with solid aluminum "dummy coils," and the structure was preloaded at room temperature and then cooled-down to 77 K. The mechanical behavior of the magnet structure was monitored with the use of strain gauges installed on the aluminum shells, the dummy coils, and the axial preload system. This paper reports on the outcome of the assembly and the cooldown tests with dummy coils, which were performed at CERN and at LBNL, and presents the strain gauge measurements compared with the 3-D finite-element model predictions. C1 [Juchno, M.; Bajas, H.; Bajko, M.; Bourcey, N.; Ferracin, P.; Grosclaude, P.; Guinchard, M.; Perez, J. C.; Prin, H.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Anerella, M.; Schmalzle, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Cheng, D. W.; Felice, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Juchno, M (reprint author), CERN, CH-1211 Geneva, Switzerland. EM mariusz.juchno@cern.ch FU European Commission [284404]; U.S. Department of Energy through U.S. LARP Program FX This work was supported in part by the European Commission through the Seventh Framework Programme (Capacities Specific Programme) under Grant 284404 and in part by the U.S. Department of Energy through the U.S. LARP Program. NR 6 TC 1 Z9 1 U1 3 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4005506 DI 10.1109/TASC.2016.2521893 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9DL UT WOS:000377379400001 ER PT J AU Kashikhin, V Andreev, N Cheban, S DiMarco, J Kimura, N Makarov, A Orlov, Y Poloubotko, V Tartaglia, M Yamamoto, A AF Kashikhin, Vladimir Andreev, Nikolai Cheban, Sergey DiMarco, Joseph Kimura, Nobuhiro Makarov, Alexander Orlov, Yuriy Poloubotko, Valeri Tartaglia, Michael Yamamoto, Akira TI Performance of Conduction Cooled Splittable Superconducting Magnet Package for Linear Accelerators SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator; conduction cooling; cryomodule; Linac; magnet; superconducting AB New linear superconducting accelerators need superconducting magnet packages installed inside SCRF cryomodules to focus and steer electron or proton beams. A superconducting magnet package was designed and built as a collaborative effort of FNAL and KEK. The magnet package includes one quadrupole and two dipole windings. It has a splittable in the vertical plane configuration and features for conduction cooling. The magnet was successfully tested at room temperature, in a liquid He bath, and in a conduction cooling experiment. This paper describes the design and test results, including magnet cooling, training, and magnetic measurements by rotational coils. The effects of superconductor and iron yoke magnetization, hysteresis, and fringe fields are discussed. C1 [Kashikhin, Vladimir; Andreev, Nikolai; Cheban, Sergey; DiMarco, Joseph; Makarov, Alexander; Orlov, Yuriy; Poloubotko, Valeri; Tartaglia, Michael] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Kimura, Nobuhiro; Yamamoto, Akira] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. RP Kashikhin, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM kash@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; Japan-U.S. Cooperative Program in High Energy Physics FX This work was supported in part by Fermi Research Alliance, LLC under Contract DE-AC02-07CH11359 with the U.S. Department of Energy and in part by the Japan-U.S. Cooperative Program in High Energy Physics. NR 13 TC 0 Z9 0 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 DI 10.1109/TASC.2016.2532365 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9EH UT WOS:000377381600001 ER PT J AU Lombardo, V Buehler, M Lamm, M Page, T Curreli, S Fabbricatore, P Musenich, R AF Lombardo, V. Buehler, M. Lamm, M. Page, T. Curreli, S. Fabbricatore, P. Musenich, R. TI Development of Aluminum-Stabilized Superconducting Cables for the Mu2e Detector Solenoid SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Aluminum stabilized cables; conforming; detector solenoid; Mu2e; superconducting NbTi cables ID CONDUCTOR AB The Mu2e experiment at Fermilab is designed to measure the rare process of direct muon-to-electron conversion in the field of a nucleus. The experiment comprises a system of three superconducting solenoids, which focus on secondary muons from the production target and transport them to an aluminum (Al) stopping target, while minimizing the associated background. The detector solenoid (DS) is the last magnet in the transport line, and its main functions are to provide a graded field in the region of the stopping target as well as a precision magnetic field in a volume that is large enough to house the tracker downstream of the stopping target. The DS coils are designed to be wound using NbTi Rutherford cables conformed to high purity Al for stabilization and then cold-worked for strength. Two types of Al-stabilized conductor are required to build the DS coils, i.e., one for the gradient section and one for the spectrometer section of the solenoid. The dimensions are optimized to generate the required field profile when the same current is transported in both conductors. The conductors contain NbTi Rutherford cables with 12 (DS1) and 8 (DS2) strands, respectively, and are manufactured by two different vendors. This paper describes the results of the manufacturing of production lengths of the Al-stabilized cables needed to build the Mu2e DS as well as the testing campaigns and main results. The main cable properties and results of electrical and mechanical tests are summarized and discussed for each stage of the cable development process. Results are compared with design values to show how the production cables satisfy all the design criteria starting from the NbTi wires to the Al-stabilized cables. C1 [Lombardo, V.; Buehler, M.; Lamm, M.; Page, T.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Curreli, S.; Fabbricatore, P.; Musenich, R.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy. RP Lombardo, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM lombardo@fnal.gov FU FRA under DOE [DE-AC02-07CH11359] FX This work was supported by FRA under DOE Contract DE-AC02-07CH11359. NR 11 TC 0 Z9 0 U1 3 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4804105 DI 10.1109/TASC.2016.2529687 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9CH UT WOS:000377376300001 ER PT J AU Savary, F Barzi, E Bordini, B Bottura, L Chlachidze, G Ramos, D Bermudez, SI Karppinen, M Lackner, F Loffler, CH Moron-Ballester, R Nobrega, A Perez, JC Prin, H Smekens, D de Rijk, G Redaelli, S Rossi, L Willering, G Zlobin, AV Giovannozzi, M AF Savary, F. Barzi, E. Bordini, B. Bottura, L. Chlachidze, G. Ramos, D. Bermudez, S. Izquierdo Karppinen, M. Lackner, F. Loeffler, C. H. Moron-Ballester, R. Nobrega, A. Perez, J. C. Prin, H. Smekens, D. de Rijk, G. Redaelli, S. Rossi, L. Willering, G. Zlobin, A. V. Giovannozzi, M. TI The 11 T Dipole for HL-LHC: Status and Plan SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; high-luminosity large hadron collider (LHC) project; Nb3Sn 11-T dipole; superconducting magnets AB The upgrade of the Large Hadron Collider (LHC) collimation system includes additional collimators in the LHC lattice. The longitudinal space for these collimators will be created by replacing some of the LHC main dipoles with shorter but stronger dipoles compatible with the LHC lattice and main systems. The project plan comprises the construction of two cryoassemblies containing each of the two 11-T dipoles of 5.5-m length for possible installation on either side of interaction point 2 of LHC in the years 2018-2019 for ion operation, and the installation of two cryoassemblies on either side of interaction point 7 of LHC in the years 2023-2024 for proton operation. The development program conducted in conjunction between the Fermilab and CERN magnet groups is progressing well. The development activities carried out on the side of Fermilab were concluded in the middle of 2015 with the fabrication and test of a 1-m-long two-in-one model and those on the CERN side are ramping up with the construction of 2-m-long models and the preparation of the tooling for the fabrication of the first full-length prototype. The engineering design of the cryomagnet is well advanced, including the definition of the various interfaces, e.g., with the collimator, powering, protection, and vacuum systems. Several practice coils of 5.5-m length have been already fabricated. This paper describes the overall progress of the project, the final design of the cryomagnet, and the performance of the most recent models. The overall plan toward the fabrication of the series magnets for the two phases of the upgrade of the LHC collimation system is also presented. C1 [Savary, F.; Bordini, B.; Bottura, L.; Ramos, D.; Bermudez, S. Izquierdo; Lackner, F.; Loeffler, C. H.; Moron-Ballester, R.; Perez, J. C.; Prin, H.; Smekens, D.; de Rijk, G.; Redaelli, S.; Giovannozzi, M.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Barzi, E.; Chlachidze, G.; Nobrega, A.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Karppinen, M.; Rossi, L.; Willering, G.] CERN, TE Technol, CH-1211 Geneva, Switzerland. [Moron-Ballester, R.] IBV, Valencia 46022, Spain. RP Savary, F (reprint author), CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. EM Frederic.Savary@cern.ch FU Fermi Research Alliance, LLC [DE AC02-07CH11359]; U.S. Department of Energy; European Commission under FP7 project HiLumi LHC [284404] FX This work was supported in part by the Fermi Research Alliance, LLC, under Contract DE AC02-07CH11359 with the U.S. Department of Energy and in part by the European Commission under the FP7 project HiLumi LHC, under Grant 284404. (Corresponding author: F Savary.) NR 21 TC 3 Z9 3 U1 6 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4005305 DI 10.1109/TASC.2016.2547881 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DN9GR UT WOS:000377388000001 ER PT J AU Young, M Dimitrovski, A Li, Z Liu, YL AF Young, Marcus Dimitrovski, Aleksandar Li, Zhi Liu, Yilu TI Gyrator-Capacitor Approach to Modeling a Continuously Variable Series Reactor SO IEEE TRANSACTIONS ON POWER DELIVERY LA English DT Article DE Continuously variable series reactor (CVSR); magnetic amplifier; power-flow control; power system modeling AB A continuously variable series reactor (CVSR) is a novel application for power-flow control in meshed electric power networks. CVSR provides continuous modulation of line reactance by controlling the magnetization in a ferromagnetic core, which occurs by altering the direct current in a winding to bias the magnetization in the core. The deployment of CVSR in commercial power systems requires careful planning to determine if the equipment will meet design objectives and how the equipment responds during power system faults. This paper presents a modeling method that enables simulation of the magnetic interactions within a prototype device simultaneously with the voltages and currents of an externally connected electric circuit. Simulations of the model are compared to finite-element analysis and available experimental results. The simulations are performed on a simple single-phase system under nominal and fault conditions. The simulation results demonstrate the effectiveness of the method to represent CVSR transient behavior from the perspective of the ac power system. C1 [Young, Marcus; Dimitrovski, Aleksandar; Li, Zhi] Oak Ridge Natl Lab, Power & Energy Syst, Oak Ridge, TN 37831 USA. [Liu, Yilu] Univ Tennessee, EECS, Knoxville, TN 37919 USA. RP Young, M (reprint author), Oak Ridge Natl Lab, Power & Energy Syst, Oak Ridge, TN 37831 USA. EM s_mayoung@hotmail.com; dimitrovskia@ornl.gov; liz2@ornl.gov; Liu@utk.edu RI Dimitrovski, Aleksandar/G-5897-2016 OI Dimitrovski, Aleksandar/0000-0001-9109-621X FU U.S. Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. 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). Paper no. TPWRD-00302-2015. NR 17 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8977 EI 1937-4208 J9 IEEE T POWER DELIVER JI IEEE Trans. Power Deliv. PD JUN PY 2016 VL 31 IS 3 BP 1223 EP 1232 DI 10.1109/TPWRD.2015.2510642 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA DN9QO UT WOS:000377415200036 ER PT J AU Guo, HQ He, WB Peterka, T Shen, HW Collis, SM Helmus, JJ AF Guo, Hanqi He, Wenbin Peterka, Tom Shen, Han-Wei Collis, Scott M. Helmus, Jonathan J. TI Finite-Time Lyapunov Exponents and Lagrangian Coherent Structures in Uncertain Unsteady Flows SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article; Proceedings Paper CT IEEE Pacific Visualization Symposium (IEEE PacificVis) CY APR 19-22, 2016 CL Natl Taiwan Univ Sci & Technol, Taipei, TAIWAN SP IEEE, Tech Comm Visualizat & Comp Graph HO Natl Taiwan Univ Sci & Technol DE Uncertain flow visualization; stochastic particle tracing; Lagrangian coherent structures ID OF-THE-ART; VECTOR-FIELDS; VISUALIZING UNCERTAINTY; TOPOLOGY; GLYPHS AB The objective of this paper is to understand transport behavior in uncertain time-varying flow fields by redefining the finite-time Lyapunov exponent (FTLE) and Lagrangian coherent structure (LCS) as stochastic counterparts of their traditional deterministic definitions. Three new concepts are introduced: the distribution of the FTLE (D-FTLE), the FTLE of distributions (FTLE-D), and uncertain LCS (U-LCS). The D-FTLE is the probability density function of FTLE values for every spatiotemporal location, which can be visualized with different statistical measurements. The FTLE-D extends the deterministic FTLE by measuring the divergence of particle distributions. It gives a statistical overview of how transport behaviors vary in neighborhood locations. The U-LCS, the probabilities of finding LCSs over the domain, can be extracted with stochastic ridge finding and density estimation algorithms. We show that our approach produces better results than existing variance-based methods do. Our experiments also show that the combination of D-FTLE, FTLE-D, and U-LCS can help users understand transport behaviors and find separatrices in ensemble simulations of atmospheric processes. C1 [Guo, Hanqi; Peterka, Tom] Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL 60439 USA. [He, Wenbin; Shen, Han-Wei] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Collis, Scott M.; Helmus, Jonathan J.] Argonne Natl Lab, Div Environm Sci, Lemont, IL 60439 USA. RP Guo, HQ (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL 60439 USA. EM hguo@anl.gov; he.495@buckeyemail.osu.edu; tpeterka@mcs.anl.gov; shen.94@osu.edu; scollis@anl.gov; jhelmus@anl.gov NR 33 TC 1 Z9 1 U1 2 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 EI 1941-0506 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD JUN PY 2016 VL 22 IS 6 BP 1672 EP 1682 DI 10.1109/TVCG.2016.2534560 PG 11 WC Computer Science, Software Engineering SC Computer Science GA DO0MX UT WOS:000377474100005 ER PT J AU Skraba, P Rosen, P Wang, B Chen, GN Bhatia, H Pascucci, V AF Skraba, Primoz Rosen, Paul Wang, Bei Chen, Guoning Bhatia, Harsh Pascucci, Valerio TI Critical Point Cancellation in 3D Vector Fields: Robustness and Discussion SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article; Proceedings Paper CT IEEE Pacific Visualization Symposium (IEEE PacificVis) CY APR 19-22, 2016 CL Natl Taiwan Univ Sci & Technol, Taipei, TAIWAN SP IEEE, IEEE Comp Soc, IEEE Comp Soc Visualizat & Graph Tech Comm, Bosch Res N Amer, Alibaba Secur, Natl Taiwan Univ Sci & Technol, Acad Sinica, Inst Informat Sci HO Natl Taiwan Univ Sci & Technol DE Flow visualization; vector field simplification; robustness; computational topology ID FLOW VISUALIZATION; SIMPLIFICATION AB Vector field topology has been successfully applied to represent the structure of steady vector fields. Critical points, one of the essential components of vector field topology, play an important role in describing the complexity of the extracted structure. Simplifying vector fields via critical point cancellation has practical merit for interpreting the behaviors of complex vector fields such as turbulence. However, there is no effective technique that allows direct cancellation of critical points in 3D. This work fills this gap and introduces the first framework to directly cancel pairs or groups of 3D critical points in a hierarchical manner with a guaranteed minimum amount of perturbation based on their robustness, a quantitative measure of their stability. In addition, our framework does not require the extraction of the entire 3D topology, which contains non-trivial separation structures, and thus is computationally effective. Furthermore, our algorithm can remove critical points in any subregion of the domain whose degree is zero and handle complex boundary configurations, making it capable of addressing challenging scenarios that may not be resolved otherwise. We apply our method to synthetic and simulation datasets to demonstrate its effectiveness. C1 [Skraba, Primoz] Jozef Stefan Inst, Ljubljana, Slovenia. [Rosen, Paul] Univ S Florida, Dept Comp Sci & Engn, Tampa, FL 33620 USA. [Wang, Bei; Pascucci, Valerio] Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA. [Chen, Guoning] Univ Houston, Houston, TX 77004 USA. [Bhatia, Harsh] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Skraba, P (reprint author), Jozef Stefan Inst, Ljubljana, Slovenia. EM primoz.skraba@ijs.si; prosen@usf.edu; beiwang@sci.utah.edu; chengu@cs.uh.edu; bhatia4@llnl.gov; pascucci@sci.utah.edu OI Rosen, Paul/0000-0002-0873-9518 NR 48 TC 1 Z9 1 U1 1 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 EI 1941-0506 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD JUN PY 2016 VL 22 IS 6 BP 1683 EP 1693 DI 10.1109/TVCG.2016.2534538 PG 11 WC Computer Science, Software Engineering SC Computer Science GA DO0MX UT WOS:000377474100006 ER PT J AU Bennett, SP Feygenson, M Jiang, Y Zande, BJ Zhang, X Sankar, SG Wang, JP Lauter, V AF Bennett, S. P. Feygenson, M. Jiang, Y. Zande, B. J. Zhang, X. Sankar, S. G. Wang, J. P. Lauter, V. TI Phase Concentration Determination of Fe16N2 Using State of the Art Neutron Scattering Techniques SO JOM LA English DT Article ID PERMANENT-MAGNETS; FILMS; MOMENT; ALPHA''-FE16N2; MAGNETIZATION; REFLECTION; DENSITY AB Due to limitations on the availability of rare earth elements it is imperative that new high energy product rare earth free permanent magnet materials are developed for the next generation of energy systems. One promising low cost permanent magnet candidate for a high energy magnet is alpha aEuro(3)-Fe16N2, whose giant magnetic moment has been predicted to be well above any other from conventional first principles calculations. Despite its great promise, the alpha aEuro(3) phase is metastable; making synthesis of the pure phase difficult, resulting in less than ideal magnetic characteristics. This instability gives way to a slew of possible secondary phases (i.e. alpha-Fe, Fe2O3, Fe8N, Fe4N, etc.) whose concentrations are difficult to detect by conventional x-ray diffraction. Here we show how high resolution neutron diffraction and polarized neutron reflectometry can be used to extract the phase concentration ratio of the giant magnetic phase from ultra-small powder sample sizes (similar to 0.1 g) and thin films. These studies have led to the discovery of promising fabrication methods for both homogeneous thin films, and nanopowders containing the highest reported to date (> 95%) phase concentrations of room temperature stable alpha aEuro(3)-Fe16N2. C1 [Bennett, S. P.; Lauter, V.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Neutron Sci Directorate, Oak Ridge, TN 37830 USA. [Feygenson, M.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37830 USA. [Jiang, Y.; Zhang, X.; Wang, J. P.] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. [Zande, B. J.; Sankar, S. G.] Adv Mat Corp, Pittsburgh, PA 15220 USA. RP Bennett, SP (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Neutron Sci Directorate, Oak Ridge, TN 37830 USA. EM bennettsp@ornl.gov OI Bennett, Steven/0000-0003-2615-6321; Feygenson, Mikhail /0000-0002-0316-3265 FU Scientific User Facilities Division, the Office of Basic Energy Sciences (BES), US Department of Energy (DOE); ARPA-E (Advanced Research Projects Agency. Energy) projects [0472-1595, DE-AR0000645] FX This work was supported by the Scientific User Facilities Division, the Office of Basic Energy Sciences (BES), US Department of Energy (DOE), (S. P. B., V. L., M. F.). This work was supported in part by ARPA-E (Advanced Research Projects Agency. Energy) projects under Contract No. 0472-1595 and No. DE-AR0000645. NR 42 TC 0 Z9 0 U1 16 U2 31 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 JUN PY 2016 VL 68 IS 6 BP 1572 EP 1576 DI 10.1007/s11837-016-1886-1 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600009 ER PT J AU Oyedele, A Mcnutt, NW Rios, O Keffer, DJ AF Oyedele, Akinola Mcnutt, Nicholas W. Rios, Orlando Keffer, David J. TI Hierarchical Model for the Analysis of Scattering Data of Complex Materials SO JOM LA English DT Article AB Interpreting the results of scattering data for complex materials with a hierarchical structure in which at least one phase is amorphous presents a significant challenge. Often the interpretation relies on the use of large-scale molecular dynamics (MD) simulations, in which a structure is hypothesized and from which a radial distribution function (RDF) can be extracted and directly compared against an experimental RDF. This computationally intensive approach presents a bottleneck in the efficient characterization of the atomic structure of new materials. Here, we propose and demonstrate an approach for a hierarchical decomposition of the RDF in which MD simulations are replaced by a combination of tractable models and theory at the atomic scale and the mesoscale, which when combined yield the RDF. We apply the procedure to a carbon composite, in which graphitic nanocrystallites are distributed in an amorphous domain. We compare the model with the RDF from both MD simulation and neutron scattering data. This procedure is applicable for understanding the fundamental processing-structure-property relationships in complex magnetic materials. C1 [Oyedele, Akinola] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Mcnutt, Nicholas W.; Keffer, David J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Rios, Orlando] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. RP Keffer, DJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM dkeffer@utk.edu RI Rios, Orlando/E-6856-2017 OI Rios, Orlando/0000-0002-1814-7815 FU Oak Ridge Associated Universities High Performance Computing Program; National Science Foundation [DGE-0801470]; NSF [OCI 07-11134.5]; U.S. Department of Energy, Office of Basic Energy Sciences; Critical Materials Institute, an Energy Innovation Hub - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX N.M. was supported by a grant from the Oak Ridge Associated Universities High Performance Computing Program and by a Grant from the National Science Foundation ( DGE-0801470). This research Project used resources of the National Institute for Computational Sciences (NICS) supported by NSF under Agreement Number: OCI 07-11134.5. The research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences. Also, part of the research was sponsored by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy. NR 17 TC 1 Z9 1 U1 2 U2 4 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 JUN PY 2016 VL 68 IS 6 BP 1583 EP 1588 DI 10.1007/s11837-016-1928-8 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600011 ER PT J AU McCall, SK Nersessian, N Carman, GP Pecharsky, VK Schlagel, DL Radousky, HB AF McCall, S. K. Nersessian, N. Carman, G. P. Pecharsky, V. K. Schlagel, D. L. Radousky, H. B. TI Temperature and Field Induced Strain Measurements in Single Crystal Gd5Si2Ge2 SO JOM LA English DT Article ID THERMAL-EXPANSION; GIANT; MAGNETOSTRICTION; GD-5(SI2GE2); TRANSITION AB The first-order magneto-structural transformation that occurs in Gd5Si2Ge2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd5Si2.05Ge1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of -8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of -8500 ppm, +900 ppm and +2300 ppm were measured along the a, b and c axes, respectively. Using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field. C1 [McCall, S. K.; Nersessian, N.; Radousky, H. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Nersessian, N.; Carman, G. P.] Univ Calif Los Angeles, Mech & Aerosp Dept, Engn 4, Los Angeles, CA 90095 USA. [Pecharsky, V. K.; Schlagel, D. L.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Pecharsky, V. K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Nersessian, N.] Maritime Appl Phys Corp, Baltimore, MD 21226 USA. RP McCall, SK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mccall10@llnl.gov RI McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 FU AFOSR program [F9550-04-1-0067]; U.S. Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344]; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the US Department of Energy [W-7405-ENG-82]; Iowa State University FX The UCLA authors of this paper acknowledge the AFOSR program under Contract Number F9550-04-1-0067. Work at LLNL was performed for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. Work at Ames Laboratory was performed under the auspices of the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the US Department of Energy under Contract Number W-7405-ENG-82 with Iowa State University. NR 21 TC 1 Z9 1 U1 7 U2 11 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 JUN PY 2016 VL 68 IS 6 BP 1589 EP 1593 DI 10.1007/s11837-016-1895-0 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600012 ER PT J AU Abdeljawad, F Foiles, SM AF Abdeljawad, Fadi Foiles, Stephen M. TI Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry SO JOM LA English DT Article ID NANOCRYSTALLINE MATERIALS; BOUNDARIES; NANOSCALE; GROWTH; MOTION C1 [Abdeljawad, Fadi; Foiles, Stephen M.] Sandia Natl Labs, Ctr Mat Sci & Engn, POB 5800, Albuquerque, NM 87185 USA. RP Abdeljawad, F (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, POB 5800, Albuquerque, NM 87185 USA. EM fabdelj@sandia.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We acknowledge support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Sandia is a multi-program laboratory operated by the Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 20 TC 0 Z9 0 U1 1 U2 2 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 JUN PY 2016 VL 68 IS 6 BP 1594 EP 1595 DI 10.1007/s11837-016-1931-0 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600013 ER PT J AU Martinez, E Uberuaga, BP Beyerlein, IJ AF Martinez, Enrique Uberuaga, Blas P. Beyerlein, Irene J. TI Atomic-Scale Studies of Defect Interactions with Homo- and Heterophase Interfaces SO JOM LA English DT Article ID NANOLAYERED COMPOSITES; METALLIC MULTILAYERS; SINK EFFICIENCY; BEHAVIOR; CU; DEFORMATION; MECHANISMS; MOBILITY AB Interfaces are planar metastable defects with singular features capable of controlling diverse material properties, including mechanical response and the microstructure evolution in materials under irradiation. This ability of interfaces to dictate the material response resides inherently in their atomic structure, which controls the interactions of dislocations as well as point and defect clusters with the interface. We recently showed how dislocations nucleated from defect clusters interact with a heterophase interface in Cu-Nb layered composites. We also showed how the ability of the interface to absorb vacancy clusters depends on the atomic structure at the interface. Herein, we elaborate on the effect of the atomic structure on the ability of the interface to absorb dislocations as well as vacancy and self-interstitial defect clusters. We study a physical-vapor-deposited Kurdjumov-Sachs orientation in a Cu-Nb interface and an asymmetric 11 grain boundary in pure Cu. On the one hand, the manner in which dislocations react with the interface depends on the misfit dislocation arrangement, which substantially differs between these two cases. On the other hand, vacancy and self-interstitial clusters are absorbed similarly upon interaction with both structures. C1 [Martinez, Enrique; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, T-3, Los Alamos, NM 87545 USA. RP Martinez, E (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM enriquem@lanl.gov OI Martinez Saez, Enrique/0000-0002-2690-2622 FU US Department of Energy (DOE) through the LANL/LDRD Program; National Nuclear Security Administration of the US DOE [DE-AC52-06NA25396] FX The authors gratefully acknowledge the support of the US Department of Energy (DOE) through the LANL/LDRD Program for this work. This research used resources provided by the LANL Institutional Computing Program. LANL, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US DOE under Contract DE-AC52-06NA25396. NR 36 TC 0 Z9 0 U1 3 U2 9 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 JUN PY 2016 VL 68 IS 6 BP 1616 EP 1624 DI 10.1007/s11837-016-1887-0 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600016 ER PT J AU Clark, BG Hattar, K Marshall, MT Chookajorn, T Boyce, BL Schuh, CA AF Clark, B. G. Hattar, K. Marshall, M. T. Chookajorn, T. Boyce, B. L. Schuh, C. A. TI Thermal Stability Comparison of Nanocrystalline Fe-Based Binary Alloy Pairs SO JOM LA English DT Article ID GRAIN-BOUNDARY SEGREGATION; MECHANICAL-BEHAVIOR; WEAR PROPERTIES; GROWTH; METALS; NICKEL; STABILIZATION; SIZE; DRAG; MOTION AB The widely recognized property improvements of nanocrystalline (NC) materials have generated significant interest; yet, they have been difficult to realize in engineering applications due to the propensity for grain growth in these interface-dominated systems. Although traditional pathways to thermal stabilization can slow the mobility of grain boundaries, recent theories suggest that solute segregation in NC alloys can reduce the grain boundary energy such that thermodynamic stabilization is achieved. Following the predictions of Murdoch et al., here we compare for the first time the thermal stability of a predicted NC stable alloy (Fe-10 at.% Mg) with a predicted non-NC stable alloy (Fe-10 at.% Cu) using the same processing and characterization methodologies. Results show improved thermal stability of the Fe-Mg alloy in comparison with the Fe-Cu, and thermally-evolved microstructures that are consistent with those predicted by Monte Carlo simulations. C1 [Clark, B. G.; Boyce, B. L.] Sandia Natl Labs, Ctr Mat Sci, POB 5800, Albuquerque, NM 87185 USA. [Hattar, K.; Marshall, M. T.] Sandia Natl Labs, Phys Chem & Nano Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. [Chookajorn, T.] Natl Met & Mat Technol Ctr MTEC, Pathum Thani 12120, Thailand. [Chookajorn, T.; Schuh, C. A.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Clark, BG (reprint author), Sandia Natl Labs, Ctr Mat Sci, POB 5800, Albuquerque, NM 87185 USA. EM blyclar@sandia.gov FU DOE Office of Basic Energy Sciences, Materials Science and Engineering; U.S. Army Research Office at MIT [W911NF-14-1-0539]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Drs. F. Abdel-jawad and S. Foiles for useful discussions. All experiments (BGC, KH, MTM, and BLB) were fully supported by the DOE Office of Basic Energy Sciences, Materials Science and Engineering. CAS and TC acknowledge the support of the U.S. Army Research Office at MIT, under grant W911NF-14-1-0539. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 38 TC 3 Z9 3 U1 6 U2 13 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 JUN PY 2016 VL 68 IS 6 BP 1625 EP 1633 DI 10.1007/s11837-016-1868-3 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA DN9XI UT WOS:000377433600017 ER PT J AU Belisle, BS Steffen, MM Pound, HL Watson, SB DeBruyn, JM Bourbonniere, RA Boyer, GL Wilhelm, SW AF Belisle, B. Shafer Steffen, Morgan M. Pound, Helena L. Watson, Sue B. DeBruyn, Jennifer M. Bourbonniere, Richard A. Boyer, Gregory L. Wilhelm, Steven W. TI Urea in Lake Erie: Organic nutrient sources as potentially important drivers of phytoplankton biomass SO JOURNAL OF GREAT LAKES RESEARCH LA English DT Article DE Microcystis; Nitrogen; Cyanobacterial blooms; Laurentian Great Lakes ID MICROCYSTIS-AERUGINOSA; PHOSPHORUS; NITROGEN; GROWTH; COMMUNITIES; BLOOMS; DIVERSITY; SAMPLES; METABOLISM; EXPRESSION AB Significant evidence shows that nitrogen (N) supply may influence microbial community structure and, in some cases, the rate of primary productivity in fresh waters. To date, however, most focus has been on dissolved inorganic N (i.e., ammonia and nitrate), or dinitrogen gas. Far less is known about the effects of dissolved organic N such as urea on plankton activity, although this compound is both produced by in-lake processes and is a significant component of external loading. We evaluated the urea distribution and the activity of the major enzyme responsible for its assimilation (urease) in Lake Erie, which has a significant history of eutrophication. During 2012 and 2013, lake-wide surveys estimated surface urea concentrations and urease activity, along with phytoplankton composition and biomass, cyanobacterial toxins (microcystin), major nutrients and other physico-chemical parameters. In parallel, in situ 48-h microcosm experiments were executed to test whether different chemical forms of dissolved N could stimulate phytoplankton biomass. Results confirmed urea was a bioavailable form of N with in situ urea turnover times ranging from hours (for summer, i.e., Aug. 2012 and July 2013) to days (May 2013). Furthermore, we observed a positive correlation between urease activity and both microcystin concentrations and cyanobacterial dominance. Results also indicated a potential seasonal shift in the nutrient limiting phytoplankton biomass from phosphorus (P) to N. Our results reinforce the importance of both N and P in promoting phytoplankton growth and highlighted the need to consider organic nutrient sources as potentially important drivers of cyanobacterial blooms and toxin production. (C) 2016 International Association for Great Lakes Research. Published by Elsevier B.V. All rights reserved. C1 [Belisle, B. Shafer; Steffen, Morgan M.; Pound, Helena L.; Wilhelm, Steven W.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Watson, Sue B.; Bourbonniere, Richard A.] ECCC, Watershed Hydrol & Ecol Res Div, 867 Lakeshore Rd, Burlington, ON L7S 1A1, Canada. [DeBruyn, Jennifer M.] Univ Tennessee, Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. [Boyer, Gregory L.] SUNY Coll Environm Sci & Forestry, Dept Chem, Syracuse, NY 13210 USA. [Belisle, B. Shafer] Oak Ridge Natl Lab, Biosci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Steffen, Morgan M.] James Madison Univ, Dept Biol, Harrisonburg, VA 22807 USA. [Pound, Helena L.] Grice Marine lab, 205 Ft Johnson Rd, Charleston, SC 29412 USA. RP Wilhelm, SW (reprint author), Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. EM wilhelm@utk.edu RI Wilhelm, Steven/B-8963-2008; OI Wilhelm, Steven/0000-0001-6283-8077; DeBruyn, Jennifer/0000-0002-2993-4144 FU National Science Foundation [IOS - 0841918, DEB - 1240870, CBET - 1230543] FX We thank the captain and crew of the C.C.G.S. Limnos as well as Katherine Perri for assistance in the field and collecting the AOA measurements. We also thank Professor William Taylor and two anonymous reviewers for comments that greatly improved the paper. This project was supported by grants from the National Science Foundation (IOS - 0841918, DEB - 1240870 and CBET - 1230543), access of ship time through Environment and Climate Change Canada and the Kenneth Blaire Mossman Professorship to the University of Tennessee. NR 55 TC 2 Z9 2 U1 27 U2 48 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0380-1330 J9 J GREAT LAKES RES JI J. Gt. Lakes Res. PD JUN PY 2016 VL 42 IS 3 BP 599 EP 607 DI 10.1016/j.jglr.2016.03.002 PG 9 WC Environmental Sciences; Limnology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA DO1RL UT WOS:000377556700011 ER PT J AU Chang, ZH Corkum, PB Leone, SR AF Chang, Zenghu Corkum, Paul B. Leone, Stephen R. TI Attosecond optics and technology: progress to date and future prospects [Invited] SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Review ID HIGH-HARMONIC-GENERATION; CARRIER-ENVELOPE-PHASE; CHIRPED-PULSE AMPLIFIER; REAL-TIME OBSERVATION; ULTRAFAST CHARGE MIGRATION; HIGH-ORDER HARMONICS; X-RAY PULSES; 2.1 MU-M; QUANTUM PATHS; LASER CONTROL AB The milestones of attosecond optics research in the last 15 years are briefly reviewed, and the latest trends in applications in gaseous and condensed matter are introduced. An outlook on future development of attosecond soft x-ray sources and their application is provided. (C) 2016 Optical Society of America C1 [Chang, Zenghu] Univ Cent Florida, Dept Phys, Inst Frontier Attosecond Sci & Technol, Orlando, FL 32816 USA. [Chang, Zenghu] Univ Cent Florida, CREOL, Orlando, FL 32816 USA. [Corkum, Paul B.] Univ Ottawa, Joint Attosecond Sci Lab, 100 Sussex Dr, Ottawa, ON K1A 0R6, Canada. [Corkum, Paul B.] Natl Res Council Canada, 100 Sussex Dr, Ottawa, ON K1A 0R6, Canada. [Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Phys, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Chang, ZH (reprint author), Univ Cent Florida, Dept Phys, Inst Frontier Attosecond Sci & Technol, Orlando, FL 32816 USA.; Chang, ZH (reprint author), Univ Cent Florida, CREOL, Orlando, FL 32816 USA. EM Zenghu.Chang@ucf.edu FU Defense Advanced Research Projects Agency (DARPA) [W31P4Q1310017]; Army Research Office (ARO) [WN911NF-14-1-0383]; Air Force Office of Scientific Research (AFOSR) [FA9550-13-1-0010, FA9550-15-1-0037, FA9550-16-1-0013]; National Science Foundation (NSF) [CHE-1361226, PHY-1506345]; National Research Council Canada (NRC); Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Research Chairs; Canada Foundation for Innovation (CFI) [203614]; Ontario Research Fund [21240]; U.S. Department of Energy (DOE) [DE-AC03-76SF00]; W.M. Keck Foundation; National Security Science and Engineering Faculty Fellowship (NSSEFF) [FA9550-10-1-0195] FX Defense Advanced Research Projects Agency (DARPA) (W31P4Q1310017); Army Research Office (ARO) (WN911NF-14-1-0383); Air Force Office of Scientific Research (AFOSR) (FA9550-13-1-0010, FA9550-15-1-0037, FA9550-16-1-0013); National Science Foundation (NSF) (CHE-1361226, PHY-1506345); National Research Council Canada (NRC); Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Research Chairs; Canada Foundation for Innovation (CFI) (203614); Ontario Research Fund (21240); U.S. Department of Energy (DOE) (DE-AC03-76SF00); W.M. Keck Foundation; National Security Science and Engineering Faculty Fellowship (NSSEFF) (FA9550-10-1-0195). NR 124 TC 9 Z9 9 U1 18 U2 47 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 EI 1520-8540 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD JUN 1 PY 2016 VL 33 IS 6 BP 1081 EP 1097 DI 10.1364/JOSAB.33.001081 PG 17 WC Optics SC Optics GA DO1BF UT WOS:000377512600011 ER PT J AU Hong, L Jain, J Romanov, V Lopano, C Disenhof, C Goodman, A Hedges, S Soeder, D Sanguinito, S Dilmore, R AF Hong, Lei Jain, Jinesh Romanov, Vyacheslav Lopano, Christina Disenhof, Corinne Goodman, Angela Hedges, Sheila Soeder, Daniel Sanguinito, Sean Dilmore, Robert TI An investigation of factors affecting the interaction of CO2 and CH4 on shale in Appalachian Basin SO JOURNAL OF UNCONVENTIONAL OIL AND GAS RESOURCES LA English DT Article DE CO2 storage and sequestration; Enhanced gas recovery; Methane; Adsorption; Shale; Gas reservoirs; Statistical analysis ID ENHANCED GAS RECOVERY; CARBON-DIOXIDE; ORGANIC-CARBON; BLACK SHALE; METHANE ADSORPTION; IN-SITU; FT-IR; STORAGE; MONTMORILLONITE; SORPTION AB Depleted unconventional gas reservoirs have been proposed reservoirs for long-term storage of anthropogenic CO2. The injection of CO2 in such reservoirs may benefit from, (1) the presence of existing infrastructure and right-of-way to reduce sequestration costs, (2) the presence of an existing network of fractures to increase reservoir contact efficiency, and (3) potential to enhanced gas recovery using CO2. However, there remain significant technical challenges and uncertainties about the behavior of these reservoirs, and how they might respond to CO2 flooding. Toward addressing those uncertainties, the present study considers results of select experiments intended to improve understanding of the fundamental characteristics of shale matrix and shale interactions with methane and carbon dioxide. Outcrop samples from the low permeability sedimentary Marcellus formations in the Appalachian Basin of the eastern United States were characterized using various analytical techniques, including FTIR, XRD, ICP-OES, TOC analyzer, surface analysis, and pycnometry. FTIR confirmed CO2 adsorption by appearance of an absorption band near 2349 cm 1, however, CH4 absorption band at 1303 cm (1) was comparatively weak. Total organic carbon (TOC) exhibits significant statistical correlation with Cu, K, and Ni, while several other metals (As, Ba, Ca, Cd, Co, Cr, Fe, Mg, Mn, Na, Sr, and Ti) correlated with total inorganic carbon (TIC). Shale adsorption capacities of both CO2 and CH4 showed linear relationships to the organic matter content with CO2 exhibiting consistently higher adsorption capacities than CH4. At organic matter content greater than 2 wt%, the ratios of adsorption capacity of CO2 over CH4 were in a range between 1.3 and 1.9, which is similar to the ratios of critical temperatures between CO2 and CH4. This study evaluates the role of various physical and chemical parameters on CO2/shale and CH4/shale interaction, and considers implications for sequestration of CO2 in depleted shale reservoirs. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Hong, Lei; Jain, Jinesh; Romanov, Vyacheslav; Lopano, Christina; Disenhof, Corinne; Goodman, Angela; Hedges, Sheila; Soeder, Daniel; Dilmore, Robert] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. [Hong, Lei; Jain, Jinesh] AECOM, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. [Disenhof, Corinne] AECOM, 1450 Queen Ave SW, Albany, OR 97321 USA. [Sanguinito, Sean] US DOE, ORISE Program, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. RP Hong, L (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM lei.hong@netl.doe.gov NR 47 TC 0 Z9 0 U1 5 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2213-3976 J9 J UNCONV OIL GAS RES JI J. Unconv. Oil Gas Resour. PD JUN PY 2016 VL 14 BP 99 EP 112 PG 14 WC Engineering, Petroleum SC Engineering GA DN9OP UT WOS:000377409400011 ER PT J AU Budinger, TF Bird, MD Frydman, L Long, JR Mareci, TH Rooney, WD Rosen, B Schenck, JF Schepkin, VD Sherry, AD Sodickson, DK Springer, CS Thulborn, KR Ugurbil, K Wald, LL AF Budinger, Thomas F. Bird, Mark D. Frydman, Lucio Long, Joanna R. Mareci, Thomas H. Rooney, William D. Rosen, Bruce Schenck, John F. Schepkin, Victor D. Sherry, A. Dean Sodickson, Daniel K. Springer, Charles S. Thulborn, Keith R. Ugurbil, Kamil Wald, Lawrence L. TI Toward 20 T magnetic resonance for human brain studies: opportunities for discovery and neuroscience rationale SO MAGNETIC RESONANCE MATERIALS IN PHYSICS BIOLOGY AND MEDICINE LA English DT Review DE Magnetic resonance imaging; Ultrahigh magnetic fields; High temperature superconductors; Diffusion tensor imaging; Parallel transmit and receive strategies; Human brain chemistry; Magnetic field physiologic effects ID HUMAN CONNECTOME PROJECT; DOUBLE-STRAND BREAKS; IN-VIVO; WHITE-MATTER; HIGH-FIELD; INTRACELLULAR SODIUM; CHEMICAL-EXCHANGE; VESTIBULAR SYSTEM; MOTION CORRECTION; INDUCED VERTIGO AB An initiative to design and build magnetic resonance imaging (MRI) and spectroscopy (MRS) instruments at 14 T and beyond to 20 T has been underway since 2012. This initiative has been supported by 22 interested participants from the USA and Europe, of which 15 are authors of this review. Advances in high temperature superconductor materials, advances in cryocooling engineering, prospects for non-persistent mode stable magnets, and experiences gained from large-bore, high-field magnet engineering for the nuclear fusion endeavors support the feasibility of a human brain MRI and MRS system with 1 ppm homogeneity over at least a 16-cm diameter volume and a bore size of 68 cm. Twelve neuroscience opportunities are presented as well as an analysis of the biophysical and physiological effects to be investigated before exposing human subjects to the high fields of 14 T and beyond. C1 [Budinger, Thomas F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bird, Mark D.; Frydman, Lucio; Schepkin, Victor D.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32306 USA. [Frydman, Lucio] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Long, Joanna R.; Mareci, Thomas H.] Univ Florida, McKnight Brain Inst, Gainesville, FL USA. [Rooney, William D.; Springer, Charles S.] Oregon Hlth & Sci Univ, Portland, OR 97201 USA. [Rosen, Bruce; Wald, Lawrence L.] Harvard Univ, Sch Med, Massachusetts Gen Hosp, Harvard, MA USA. [Schenck, John F.] Gen Elect Corp Res, Schenectady, NY USA. [Sherry, A. Dean] Univ Texas SW Med Ctr Dallas, Dallas, TX 75390 USA. [Sodickson, Daniel K.] NYU, Sch Med, New York, NY USA. [Ugurbil, Kamil] Univ Minnesota, Minneapolis, MN USA. [Thulborn, Keith R.] Univ Illinois, Chicago, IL USA. RP Budinger, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM tfbudinger@lbl.gov RI Wald, Lawrence/D-4151-2009 NR 141 TC 4 Z9 4 U1 7 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0968-5243 EI 1352-8661 J9 MAGN RESON MATER PHY JI Magn. Reson. Mat. Phys. Biol. Med. PD JUN PY 2016 VL 29 IS 3 SI SI BP 617 EP 639 DI 10.1007/s10334-016-0561-4 PG 23 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA DO0GM UT WOS:000377457400027 PM 27194154 ER PT J AU Mulay, RP Moore, JA Florando, JN Barton, NR Kumar, M AF Mulay, R. P. Moore, J. A. Florando, J. N. Barton, N. R. Kumar, M. TI Microstructure and mechanical properties of Ti-6Al-4V: Mill-annealed versus direct metal laser melted alloys SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Electron microscopy; Mechanical characterization; Orientation relationships; Titanium alloys ID TEXTURE; FABRICATION; BEHAVIOR; STEEL AB Additive manufacturing processes such as direct metal laser melting (DMLM) are known to produce highly anisotropic microstructures. The present work compares the microstructure and mechanical properties of DMLM Ti-6Al-4V with that of mill-annealed alloys. Results show that the yield and hardening response of DMLM Ti-6Al-4V does not depend on the testing direction relative to the build direction, while the response of mill-annealed Ti-6Al-4V strongly depends on the testing direction. These results are discussed in light of the microstructure, texture, and polycrystal plasticity modeling. (C) 2016 Elsevier B.V. All rights reserved. C1 [Mulay, R. P.; Moore, J. A.; Florando, J. N.; Barton, N. R.; Kumar, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Mulay, RP (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mulay1@lini.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors would like to acknowledge Dennis Freeman for carrying out the compression tests, and Jackson Go, Sharon Torres, and Edwin Sedillo for EBSD sample preparation. NR 31 TC 1 Z9 1 U1 7 U2 16 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 JUN 1 PY 2016 VL 666 BP 43 EP 47 DI 10.1016/j.msea.2016.04.012 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DN8ES UT WOS:000377312600007 ER PT J AU Chen, X Dejoie, C Jiang, TF Ku, CS Tamura, N AF Chen, Xian Dejoie, Catherine Jiang, Tengfei Ku, Ching-Shun Tamura, Nobumichi TI Quantitative microstructural imaging by scanning Laue x-ray micro- and nanodiffraction SO MRS BULLETIN LA English DT Article ID SERIAL SNAPSHOT CRYSTALLOGRAPHY; KIRKPATRICK-BAEZ MIRRORS; THROUGH-SILICON; PHASE-TRANSFORMATION; PLASTIC-DEFORMATION; INTEGRATED-CIRCUITS; ENERGY-CONVERSION; DIFFRACTION; MICRODIFFRACTION; ELECTROMIGRATION AB Local crystal structure, crystal orientation, and crystal deformation can all be probed by Laue diffraction using a submicron x-ray beam. This technique, employed at a synchrotron facility, is particularly suitable for fast mapping the mechanical and microstructural properties of inhomogeneous multiphase polycrystalline samples, as well as imperfect epitaxial films or crystals. As synchrotron Laue x-ray microdiffraction enters its 20th year of existence and new synchrotron nanoprobe facilities are being built and commissioned around the world, we take the opportunity to overview current capabilities as well as the latest technical developments. Fast data collection provided by state-of-the-art area detectors and fully automated pattern indexing algorithms optimized for speed make it possible to map large portions of a sample with fine step size and obtain quantitative images of its microstructure in near real time. We extrapolate how the technique is anticipated to evolve in the near future and its potential emerging applications at a free-electron laser facility. C1 [Chen, Xian] Hong Kong Univ Sci & Technol, Dept Mech & Aerosp Engn, Hong Kong, Hong Kong, Peoples R China. [Dejoie, Catherine] ETH, Dept Mat, Zurich, Switzerland. [Jiang, Tengfei] Univ Cent Florida, Dept Mat Sci & Engn, Orlando, FL 32816 USA. [Jiang, Tengfei] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Ku, Ching-Shun] Natl Synchrotron Radiat Res Ctr, Sci Res Div, Hsinchu, Taiwan. [Tamura, Nobumichi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Chen, X (reprint author), Hong Kong Univ Sci & Technol, Dept Mech & Aerosp Engn, Hong Kong, Hong Kong, Peoples R China. EM xianchen@ust.hk; c.dejoie@mat.ethz.ch; Jiang@ucf.edu; csku@nsrrc.org.tw; ntamura@lbl.gov FU US Department of Energy [DE-AC02-05CH11231] FX 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 85 TC 2 Z9 2 U1 10 U2 13 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD JUN PY 2016 VL 41 IS 6 BP 445 EP 453 DI 10.1557/mrs.2016.97 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DO1PX UT WOS:000377551700010 ER PT J AU Glazer, MPB Okasinski, JS Almer, JD Ren, Y AF Glazer, Matthew P. B. Okasinski, John S. Almer, Jonathan D. Ren, Yang TI High-energy x-ray scattering studies of battery materials SO MRS BULLETIN LA English DT Article ID SYNCHROTRON-RADIATION; CATHODE MATERIALS; ION BATTERIES; DIFFRACTION; LITHIUM; MECHANISM; BEHAVIOR AB High-energy x-ray (HEX) scattering is a sensitive and powerful tool to nondestructively probe the atomic and mesoscale structures of battery materials under synthesis and operational conditions. The penetration power of HEXs enables the use of large, practical samples and realistic environments, allowing researchers to explore the inner workings of batteries in both laboratory and commercial formats. This article highlights the capability and versatility of HEX techniques, particularly from synchrotron sources, to elucidate materials synthesis processes and thermal instability mechanisms in situ, to understand (dis)charging mechanisms in operando under a variety of cycling conditions, and to spatially resolve electrode/electrolyte responses to highlight connections between inhomogeneity and performance. Such studies have increased our understanding of the fundamental mechanisms underlying battery performance. By deepening our understanding of the linkages between microstructure and overall performance, HEXs represent a powerful tool for validating existing batteries and shortening battery-development timelines. C1 [Glazer, Matthew P. B.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Okasinski, John S.; Almer, Jonathan D.; Ren, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Glazer, MPB (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM mglazer@u.northwestern.edu; okasinski@aps.anl.gov; almer@aps.anl.gov; ren@aps.anl.gov FU US Department of Energy [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, under Contract DE-AC02-06CH11357, with main support provided by the Department of Energy (DOE) Office of Basic Energy Sciences. The authors thank D. Abraham for useful discussions and suggestions. NR 28 TC 0 Z9 0 U1 6 U2 12 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD JUN PY 2016 VL 41 IS 6 BP 460 EP 465 DI 10.1557/mrs.2016.96 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DO1PX UT WOS:000377551700012 ER PT J AU Chen, B Lin, JF Chen, JH Zhang, HZ Zeng, QS AF Chen, Bin Lin, Jung-Fu Chen, Jiuhua Zhang, Hengzhong Zeng, Qiaoshi TI Synchrotron-based high-pressure research in materials science SO MRS BULLETIN LA English DT Article ID HIGH-TEMPERATURE SYNTHESIS; WALLED CARBON NANOTUBES; X-RAY-SCATTERING; METALLIC-GLASS; LOWER-MANTLE; DEFORMATION EXPERIMENTS; NANOCRYSTALLINE NICKEL; LAYERED SUPERCONDUCTOR; RHEOLOGICAL PROPERTIES; 15 GPA AB The integration of synchrotron and high-pressure techniques has significantly advanced research in materials science, giving rise to many important discoveries in physics, chemistry, environmental science, and many other fields of physical and engineering sciences. The relevant frontier work in multiple disciplines is reviewed. The selected studies include high-pressure superconductivity, lattice dynamics of materials, plastic deformation of nanomaterials, polyamorphic transitions and devitrification in metallic glass, rheology of minerals, and high-pressure chemistry probing. C1 [Chen, Bin; Lin, Jung-Fu; Chen, Jiuhua; Zhang, Hengzhong; Zeng, Qiaoshi] Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China. [Chen, Bin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Austin, TX USA. [Chen, Jiuhua] Florida Int Univ, Dept Mech & Mat Engn, Miami, FL 33199 USA. RP Chen, B (reprint author), Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China.; Chen, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM chenbin@hpstar.ac.cn; linjf@hpstar.ac.cn; chenjh@hpstar.ac.cn; hengzhong.zhang@hpstar.ac.cn; zengqs@hpstar.ac.cn RI Lin, Jung-Fu/B-4917-2011; Zeng, Qiaoshi/I-8688-2012 OI Zeng, Qiaoshi/0000-0001-5960-1378 FU NSAF [U1530402]; [DE-AC02-05CH11231] FX The authors acknowledge the support of NSAF Grant No. U1530402. B.C. thanks BL12.2.2, BL12.3.2, and BL1.4.3 of Advanced Light Source (ALS), Lawrence Berkeley National Lab, for the HPSTAR-ALS collaboration. The ALS 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 68 TC 1 Z9 1 U1 10 U2 31 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD JUN PY 2016 VL 41 IS 6 BP 473 EP 478 DI 10.1557/mrs.2016.110 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DO1PX UT WOS:000377551700014 ER PT J AU Zhu, C Liu, TY Qian, F Han, TYJ Duoss, EB Kuntz, JD Spadaccini, CM Worsley, MA Li, Y AF Zhu, Cheng Liu, Tianyu Qian, Fang Han, T. Yong-Jin Duoss, Eric B. Kuntz, Joshua D. Spadaccini, Christopher M. Worsley, Marcus A. Li, Yat TI Supercapacitors Based on Three-Dimensional Hierarchical Graphene Aerogels with Periodic Macropores SO NANO LETTERS LA English DT Article DE Graphene aerogel; periodic macropores; 3D printing supercapacitors ID SOLID-STATE SUPERCAPACITORS; HIGH-PERFORMANCE SUPERCAPACITORS; HIGH-POWER SUPERCAPACITORS; CHEMICAL-VAPOR-DEPOSITION; DOUBLE-LAYER CAPACITORS; HIGH-SURFACE-AREA; FLEXIBLE SUPERCAPACITORS; MICRO-SUPERCAPACITORS; ENERGY-STORAGE; ACTIVATED CARBON AB Graphene is an atomically thin, two-dimensional (2D) carbon material that offers a unique combination of low density, exceptional mechanical properties, thermal stability, large surface area, and excellent electrical conductivity. Recent progress has resulted in macro-assemblies of graphene, such as bulk graphene aerogels for a variety of applications. However, these three-dimensional (3D) graphenes exhibit physicochemical property attenuation compared to their 2D building blocks because of one-fold composition and tortuous, stochastic porous networks. These limitations can be offset by developing a graphene composite material with an engineered porous architecture. Here, we report the fabrication of 3D periodic graphene composite aerogel microlattices for supercapacitor applications, via a 3D printing technique known as direct-ink writing. The key factor in developing these novel aerogels is creating an extrudable graphene oxide-based composite ink and modifying the 3D printing method to accommodate aerogel processing. The 3D-printed graphene composite aerogel (3D-GCA) electrodes are lightweight, highly conductive, and exhibit excellent electrochemical properties. In particular, the supercapacitors using these 3D-GCA electrodes with thicknesses on the order of millimeters display exceptional capacitive retention (ca. 90% from 0.5 to 10 A. g(-1)) and power densities (>4 kW.kg(-1)) that equal or exceed those of reported devices made with electrodes 10-100 times thinner. This work provides an example of how 3D-printed materials, such as graphene aerogels, can significantly expand the design space for fabricating high-performance and fully integrable energy storage devices optimized for a broad range of applications. C1 [Zhu, Cheng; Duoss, Eric B.; Spadaccini, Christopher M.] Lawrence Livermore Natl Lab, Engn Directorate, Livermore, CA 94550 USA. [Liu, Tianyu; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Qian, Fang; Han, T. Yong-Jin; Kuntz, Joshua D.; Worsley, Marcus A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Li, Y (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA.; Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM worsleyl@llnl.gov; yatli@ucsc.edu RI ZHU, CHENG/J-4692-2016; OI Worsley, Marcus/0000-0002-8012-7727; Li, Yat/0000-0002-8058-2084 FU Lawrence Livermore National Laboratory under U.S. Department of Energy [DE-AC52-07NA27344]; Lawrence Livermore National Laboratory under U.S. Department of Energy through LDRD Award [14-SI-004, 13-LW-099] FX This work was supported by Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344, through LDRD Award 14-SI-004 and 13-LW-099. NR 95 TC 19 Z9 20 U1 162 U2 359 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3448 EP 3456 DI 10.1021/acs.nanolett.5b04965 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 DO2WW UT WOS:000377642700006 PM 26789202 ER PT J AU Li, X Lushington, A Sun, Q Xiao, W Liu, J Wang, BG Ye, YF Nie, KQ Hu, YF Xiao, QF Li, RY Guo, JH Sham, TK Sun, XL AF Li, Xia Lushington, Andrew Sun, Qian Xiao, Wei Liu, Jian Wang, Bigiong Ye, Yifan Nie, Kaiqi Hu, Yongfeng Xiao, Qunfeng Li, Ruying Guo, Jinghua Sham, Tsun-Kong Sun, Xueliang TI Safe and Durable High-Temperature Lithium-Sulfur Batteries via Molecular Layer Deposited Coating SO NANO LETTERS LA English DT Article DE Lithium-sulfur batteries; molecular layer deposition; MLD; high temperature; carbonate based electrolyte; ether based electrolyte ID LI-S BATTERIES; X-RAY-ABSORPTION; HIGH-ENERGY DENSITY; ION BATTERY; SOLID-ELECTROLYTE; CATHODE; PERFORMANCE; GRAPHENE; CELLS; POLYSULFIDE AB Lithium-sulfur (Li-S) battery is a promising high energy storage candidate in electric vehicles. However, the commonly employed ether based electrolyte does not enable to realize safe high-temperature Li-S batteries due to the low boiling and flash temperatures. Traditional carbonate based electrolyte obtains safe physical properties at high temperature but does not complete reversible electrochemical reaction for most Li-S batteries. Here we realize safe high temperature Li-S batteries on universal carbon-sulfur electrodes by molecular layer deposited (MLD) alucone coating. Sulfur cathodes with MLD coating complete the reversible electrochemical process in carbonate electrolyte and exhibit a safe and ultrastable cycle life at high temperature, which promise practicable Li-S batteries for electric vehicles and other large-scale energy storage systems. C1 [Li, Xia; Lushington, Andrew; Sun, Qian; Xiao, Wei; Liu, Jian; Wang, Bigiong; Li, Ruying; Sun, Xueliang] Univ Western Ontario, Dept Mech & Mat Engn, London, ON N6A 5B9, Canada. [Liu, Jian; Ye, Yifan; Nie, Kaiqi; Guo, Jinghua] Lawrence Berkeley Natl Lab, Adv Light Source, MS6R2100,1 Cyclotron Rd, Berkeley, CA 94720 USA. [Hu, Yongfeng; Xiao, Qunfeng] Canadian Light Source, 44 Innovat Blvd, Saskatoon, SK S7N 2V3, Canada. [Sham, Tsun-Kong] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. [Xiao, Wei; Wang, Bigiong; Sham, Tsun-Kong] Univ Western Ontario, Dept Chem, London, ON N6A 5B9, Canada. [Ye, Yifan] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China. [Nie, Kaiqi] Soochow Univ, Soochow Univ Western Univ Ctr Synchrotron Radiat, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Peoples R China. RP Sun, XL (reprint author), Univ Western Ontario, Dept Mech & Mat Engn, London, ON N6A 5B9, Canada. EM xsun9@uwo.ca RI Sun, Qian/G-4552-2011; Liu, Jian/I-5571-2014; Sun, Xueliang/C-7257-2012 OI Sun, Qian/0000-0001-5399-1440; Liu, Jian/0000-0003-0756-2260; FU Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Research Chair Program (CRC); Canada Foundation for Innovation (CFI); Ontario Research Fund; Canada Light Source at University of Saskatchewan (CLS); University of Western Ontario; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSERC Postdoctoral Fellowship Program FX This research was supported by Natural Sciences and Engineering Research Council of Canada (NSERC), Canada Research Chair Program (CRC), Canada Foundation for Innovation (CFI), Ontario Research Fund, the Canada Light Source at University of Saskatchewan (CLS), and the University of Western Ontario. 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. Y.Y. and K.N. acknowledge Prof. Junfa Zhu (University of Science and Technology, China) and Prof. Xuhui Sun's supervision (Soochow University, China), respectively and for their support of this study. Dr. Jian Liu is grateful to the financial support from NSERC Postdoctoral Fellowship Program. NR 42 TC 7 Z9 7 U1 43 U2 126 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3545 EP 3549 DI 10.1021/acs.nanolett.6b00577 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 DO2WW UT WOS:000377642700020 PM 27175936 ER PT J AU Cheng, SW Bocharova, V Belianinov, A Xiong, SM Kisliuk, A Somnath, S Holt, AP Ovchinnikova, OS Jesse, S Martin, H Etampawala, T Dadmun, M Sokolov, AP AF Cheng, Shiwang Bocharova, Vera Belianinov, Alex Xiong, Shaomin Kisliuk, Alexander Somnath, Suhas Holt, Adam P. Ovchinnikova, Olga S. Jesse, Stephen Martin, Halie Etampawala, Thusitha Dadmun, Mark Sokolov, Alexei P. TI Unraveling the Mechanism of Nanoscale Mechanical Reinforcement in Glassy Polymer Nanocomposites SO NANO LETTERS LA English DT Article DE Polymer nanocomposites; mechanical reinforcement; interfacial layer; band excited atomic force microscopy; Brillouin light scattering ID ATOMIC-FORCE MICROSCOPY; FILLED ELASTOMERS; NANOPARTICLE COMPOSITES; SPHERICAL NANOPARTICLES; GRAFTED NANOPARTICLES; SEGMENTAL DYNAMICS; BEHAVIOR; ADSORPTION; PARTICLES; INTERFACE AB The mechanical reinforcement of polymer nanocomposites (PNCs) above the glass transition temperature, T-g, has been extensively studied. However, not much is known about the origin of this effect below T-g. In this Letter, we unravel the mechanism of PNC reinforcement within the glassy state by directly probing nanoscale mechanical properties with atomic force microscopy and macroscopic properties with Brillouin light scattering. Our results unambiguously show that the "glassy" Young's modulus in the interfacial polymer layer of PNCs is two-times higher than in the bulk polymer, which results in significant reinforcement below T-g. We ascribe this phenomenon to a high stretching of the chains within the interfacial layer. Since the interfacial chain packing is essentially temperature independent, these findings provide a new insight into the mechanical reinforcement of PNCs also above T-g. C1 [Cheng, Shiwang; Bocharova, Vera; Kisliuk, Alexander; Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Belianinov, Alex; Somnath, Suhas; Ovchinnikova, Olga S.; Jesse, Stephen] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Belianinov, Alex; Somnath, Suhas; Ovchinnikova, Olga S.; Jesse, Stephen] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Xiong, Shaomin] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Holt, Adam P.; Sokolov, Alexei P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Martin, Halie; Etampawala, Thusitha; Dadmun, Mark; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Cheng, SW; Bocharova, V (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM chengs@ornl.gov; bocharovav@ornl.gov OI Dadmun, Mark/0000-0003-4304-6087 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Center for Nanophase Materials Sciences, a DOE Office of Science User Facility FX We thank Dr. Ken Schweizer for many helpful discussions and suggestions, and Dr. John Dunlap for the help with the TEM measurements. We thank Prof. Zawodzinski for permission to use the gas pycnometer. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. A.B., S.S., S.J., and O.S.O. thank the support from the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 68 TC 7 Z9 7 U1 21 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3630 EP 3637 DI 10.1021/acs.nanolett.6b00766 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 DO2WW UT WOS:000377642700032 PM 27203453 ER PT J AU Kwon, SG Chattopadhyay, S Koo, B Claro, PCD Shibata, T Requejo, FG Giovanetti, LJ Liu, YZ Johnson, C Prakapenka, V Lee, B Shevchenko, EV AF Kwon, Soon Gu Chattopadhyay, Soma Koo, Bonil dos Santos Claro, Paula Cecilia Shibata, Tomohiro Requejo, Felix G. Giovanetti, Lisandro J. Liu, Yuzi Johnson, Christopher Prakapenka, Vitali Lee, Byeongdu Shevchenko, Elena V. TI Oxidation Induced Doping of Nanoparticles Revealed by in Situ X-ray Absorption Studies SO NANO LETTERS LA English DT Article DE Doping metal oxide; Kirkendall effect; hollow nanoparticles; in situ studies ID CDS/ZNS CORE/SHELL NANOCRYSTALS; LITHIUM ION BATTERIES; SEMICONDUCTOR NANOCRYSTALS; CDSE NANOCRYSTALS; QUANTUM DOTS; IRON-OXIDE; COBALT; PHASE; SPECTROSCOPY; VACANCIES AB Doping is a well-known approach to modulate the electronic and optical properties of nanoparticles (NPs). However, doping at nanoscale is still very challenging, and the reasons for that are not well understood. We studied the formation and doping process of iron and iron oxide NPs in real time by in situ synchrotron X-ray absorption spectroscopy. Our study revealed that the mass flow of the iron triggered by oxidation is responsible for the internalization of the dopant (molybdenum) adsorbed at the surface of the host iron NPs. The oxidation induced doping allows controlling the doping levels by varying the amount of dopant precursor. Our in situ studies also revealed that the dopant precursor substantially changes the reaction kinetics of formation of iron and iron oxide NPs. Thus, in the presence of dopant precursor we observed significantly faster decomposition rate of iron precursors and substantially higher stability of iron NPs against oxidation. The same doping mechanism and higher stability of host metal NPs against oxidation was observed for cobalt-based systems. Since the internalization of the adsorbed dopant at the surface of the host NPs is driven by the mass transport of the host, this mechanism can be potentially applied to introduce dopants into different oxidized forms of metal and metal alloy NPs providing the extra degree of compositional control in material design. C1 [Kwon, Soon Gu; Koo, Bonil; dos Santos Claro, Paula Cecilia; Liu, Yuzi; Shevchenko, Elena V.] Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Johnson, Christopher] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Lee, Byeongdu] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Chattopadhyay, Soma; Shibata, Tomohiro] Argonne Natl Lab, MRCAT, CSRRI IIT, 9700 S Cass Ave, Argonne, IL 60439 USA. [Chattopadhyay, Soma; Shibata, Tomohiro] IIT, Dept Phys, Adv Mat Grp, Chicago, IL 60616 USA. [dos Santos Claro, Paula Cecilia; Requejo, Felix G.; Giovanetti, Lisandro J.] FCE UNLP, CONICET, Dept Quim, INIFTA, RA-1900 La Plata, Buenos Aires, Argentina. [Prakapenka, Vitali] Univ Chicago, Ctr Adv Radiat Sources, Argonne, IL 60439 USA. [Kwon, Soon Gu] Inst for Basic Sci Korea, Ctr Nanoparticle Res, Seoul 151742, South Korea. [Kwon, Soon Gu] Seoul Natl Univ, Seoul 151742, South Korea. [Chattopadhyay, Soma] Elgin Community Coll, Dept Phys Sci, 1700 Spartan Dr, Elgin, IL 60123 USA. [Koo, Bonil] Heliotrope Technol, 2625 Alcatraz Ave 377, Berkeley, CA 94705 USA. [Shibata, Tomohiro] Kennametal Inc, Mat Anal & Global Mat Sci, 1600 Technol Way, Latrobe, PA 15650 USA. RP Shevchenko, EV (reprint author), Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM eshevchenko@anl.gov RI Requejo, Felix/O-2260-2016; ID, MRCAT/G-7586-2011 OI Requejo, Felix/0000-0003-4439-864X; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; MRCAT; National Science Foundation-Earth Sciences [EAR-0622171]; Department of Energy-Geosciences [DE-FG02-94ER14466]; CONICET, Argentina [PIP-1035] FX Use of the Center for Nanoscale Materials and 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 is funded by MRCAT host institutions. The work at GeoSoilEnviroCARS was supported by the National Science Foundation-Earth Sciences (EAR-0622171) and Department of Energy-Geosciences (DE-FG02-94ER14466). The Mo L-edge and Fe Kedge XAFS ex situ synchrotron experiments were performed at SXS and XAFS-2 beamlines, respectively (LNLS, Campinas). F.G.R and L.J.G. acknowledge CONICET, Argentina (grant # PIP-1035). We acknowledge Prof. Jeffrey T. Miller (Purdue University) for helpful discussion on the in situ XAS experiments and Prof. Carlo U. Segre (Illinois Institute of Technology) for allocation of staff beam time. NR 48 TC 2 Z9 2 U1 10 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3738 EP 3747 DI 10.1021/acs.nanolett.6b01072 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 DO2WW UT WOS:000377642700048 PM 27152970 ER PT J AU Gan, ZF Gu, M Tang, JS Wang, CY He, Y Wang, KL Wang, CM Smith, DJ McCartney, MR AF Gan, Zhaofeng Gu, Meng Tang, Jianshi Wang, Chiu-Yen He, Yang Wang, Kang L. Wang, Chongmin Smith, David J. McCartney, Martha R. TI Direct Mapping of Charge Distribution during Lithiation of Ge Nanowires Using Off-Axis Electron Holography SO NANO LETTERS LA English DT Article DE Lithium ion battery; charge distribution; in situ TEM; electron holography ID SOLID-STATE AMORPHIZATION; ELECTROCHEMICAL LITHIATION; DELITHIATION; MICROSCOPY; STORAGE; ALLOYS AB The successful operation of rechargeable batteries relies on reliable insertion/extraction of ions into/from the electrodes. The battery performance and the response of the electrodes to such ion insertion and extraction are directly related to the spatial distribution of the charge and its dynamic evolution. However, it remains unclear how charge is distributed in the electrodes during normal battery operation. In this work, we have used off axis electron holography to measure charge distribution during lithium ion insertion into a Ge nanowire (NW) under dynamic operating conditions. We discovered that the surface region of the Ge core is negatively charged during the core-shell lithiation of the Ge NW, which is counterbalanced by positive charge on the inner surface of the lithiated LixGe shell. The remainder of the lithiated LixGe shell is free from net charge, consistent with its metallic characteristics. The present work provides a vivid picture of charge distribution and dynamic evolution during Ge NW lithiation and should form the basis for tackling the response of these and related materials under real electrochemical conditions. C1 [Gan, Zhaofeng; Smith, David J.; McCartney, Martha R.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Gu, Meng; Wang, Chongmin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Tang, Jianshi; Wang, Chiu-Yen; Wang, Kang L.] Univ Calif Los Angeles, Dept Elect Engn, Device Res Lab, Los Angeles, CA 90095 USA. [Wang, Chiu-Yen] Natl Taiwan Univ Sci & Technol, Dept Mat Sci & Engn, Taipei 10607, Taiwan. [He, Yang] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Smith, DJ; McCartney, MR (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA.; Wang, CM (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM chongmin.wang@pnnl.gov; david.smith@asu.edu; molly.mccartney@asu.edu OI Tang, Jianshi/0000-0001-8369-0067 FU DoE [DE-FG02-04ER46168, DE-AC05-76RLO1830]; Ministry of Science and Technology [MOST 103-2218-E-011-007-MY3]; Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231, 18769, DE-AC-36-08GO28308]; Laboratory Directed Research and Development Program as part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL); DOE's Office of Biological and Environmental Research FX The electron holography studies have been supported by DoE Grant DE-FG02-04ER46168. The Ge NW synthesis was supported by the Ministry of Science and Technology through Grant MOST 103-2218-E-011-007-MY3. The authors acknowledge use of facilities in the John M. Cowley Center for High Resolution Electron Microscopy at Arizona State University. This work at PNNL 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. A portion of the electron holography studies was supported by the Laboratory Directed Research and Development Program as part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL). The 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 PNNL. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RLO1830. NR 21 TC 2 Z9 2 U1 14 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3748 EP 3753 DI 10.1021/acs.nanolett.6b01099 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 DO2WW UT WOS:000377642700049 PM 27192608 ER PT J AU Wang, ZY Santhanagopalan, D Zhang, W Wang, F Xin, HLL He, K Li, JC Dudney, N Meng, YS AF Wang, Ziying Santhanagopalan, Dhamodaran Zhang, Wei Wang, Feng Xin, Huolin L. He, Kai Li, Juchuan Dudney, Nancy Meng, Ying Shirley TI In Situ STEM-EELS Observation of Nanoscale Interfacial Phenomena in All-Solid-State Batteries SO NANO LETTERS LA English DT Article DE Lithium ion battery; thin film battery; in situ TEM; interfacial phenomena; solid electrolyte ID TRANSMISSION ELECTRON-MICROSCOPY; ENERGY-LOSS SPECTROSCOPY; CHARGE-TRANSFER REACTION; THIN-FILM INTERFACE; ELECTROCHEMICAL LITHIATION; LITHIUM BATTERIES; SILICON NANOWIRES; ION BATTERIES; SNO2 NANOWIRE; OXIDES AB Behaviors of functional interfaces are crucial factors in the performance and safety of energy storage and conversion devices. Indeed, solid electrode solid electrolyte interfacial impedance is now considered the main limiting factor in all-solid-state batteries rather than low ionic conductivity of the solid electrolyte. Here, we present a new approach to conducting in situ scanning transmission electron microscopy (STEM) coupled with electron energy loss spectroscopy (EELS) in order to uncover the unique interfacial phenomena related to lithium ion transport and its corresponding charge transfer. Our approach allowed quantitative spectroscopic characterization of a galvanostatically biased electrochemical system under in situ conditions. Using a LiCoO2/LiPON/Si thin film battery, an unexpected structurally disordered interfacial layer between LiCoO2 cathode and LiPON electrolyte was discovered to be inherent to this interface without cycling. During in situ charging, spectroscopic characterization revealed that this interfacial layer evolved to form highly oxidized Co ions species along with lithium, oxide and lithium peroxide species. These findings suggest that the mechanism of interfacial impedance at the LiCoO2/LiPON interface is caused by chemical changes rather than space charge effects. Insights gained from this technique will shed light on important challenges of interfaces in all-solid-state energy storage and conversion systems and facilitate improved engineering of devices operated far from equilibrium. C1 [Wang, Ziying; Santhanagopalan, Dhamodaran; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. [Santhanagopalan, Dhamodaran] Amrita Vishwa Vidyapeetham Univ, Amrita Ctr Nanosci & Mol Med, Kochi 682041, Kerala, India. [Zhang, Wei; Wang, Feng; Xin, Huolin L.; He, Kai] Brookhaven Natl Lab, Upton, NY 11973 USA. [Li, Juchuan; Dudney, Nancy] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. EM shmeng@ucsd.edu RI Xin, Huolin/E-2747-2010; He, Kai/B-9535-2011 OI Xin, Huolin/0000-0002-6521-868X; He, Kai/0000-0003-4666-1800 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0002357]; Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001294]; U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division; Laboratory Directed Research and Development (LDRD) program at Brookhaven National Laboratory [13-022]; SERB, India; [DE-SC0012704] FX UCSD acknowledges the funding support for the development of all-solid-state battery and in situ FIB and TEM holder design by the U.S. Department of Energy, Office of Basic Energy Sciences, under award number DE-SC0002357. The collaboration with national laboratories is made possible with partial support of the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences, under award number DE-SC0001294. TEM studies and part of FIB work were carried out at Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. Thin film batteries were fabricated at Oak Ridge National Laboratory with support of the U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division. W.Z. was supported by the Laboratory Directed Research and Development (LDRD) program at Brookhaven National Laboratory, under the ward No. 13-022. D.S. is thankful to SERB, India for Ramanujan Fellowship. NR 50 TC 5 Z9 5 U1 82 U2 202 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3760 EP 3767 DI 10.1021/acs.nanolett.6b01119 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 DO2WW UT WOS:000377642700051 PM 27140196 ER PT J AU Gao, J Li, L Tan, JW Sun, H Li, BC Idrobo, JC Singh, CV Lu, TM Koratkar, N AF Gao, Jian Li, Lu Tan, Jiawei Sun, Hao Li, Baichang Idrobo, Juan Carlos Singh, Chandra Veer Lu, Toh-Ming Koratkar, Nikhil TI Vertically Oriented Arrays of ReS2 Nanosheets for Electrochemical Energy Storage and Electrocatalysis SO NANO LETTERS LA English DT Article DE Transition metal dichalcogenides; ReS2 nanosheets; chemical vapor deposition; lithium-sulfur batteries; hydrogen evolution reaction ID HYDROGEN EVOLUTION REACTION; CHEMICAL-VAPOR-DEPOSITION; LITHIUM-SULFUR BATTERIES; TRANSITION-METAL DICHALCOGENIDES; EXFOLIATED BLACK PHOSPHORUS; FIELD-EFFECT TRANSISTORS; HEXAGONAL BORON-NITRIDE; MONOLAYER MOS2; GRAIN-BOUNDARIES; HIGH-PERFORMANCE AB Transition-metal dichalcogenide (TMD) nanolayers show potential as high-performance catalysts in energy conversion and storage devices. Synthetic TMDs produced by chemical-vapor deposition (CVD) methods`tend to grow parallel to the growth substrate. Here, we show that with the right precursors and appropriate tuning of the CVD growth conditions, ReS2 nanosheets can be made to orient perpendicular to the growth substrate. This accomplishes two important objectives; first, it drastically increases the wetted or exposed surface area of the ReS2 sheets, and second, it exposes the sharp edges and corners of the ReS2 sheets. We show that these structural features of the vertically grown ReS2 sheets can be exploited to significantly improve their performance as polysulfide immobilizers and electro-chemical catalysts in lithium-sulfur (Li-S) batteries and in hydrogen evolution reactions (HER). After 300 cycles, the specific capacity of the Li-S battery with vertical ReS2 catalyst is retained above 750 mA h g(-1), with only similar to 0.063% capacity decay per cycle, much better than the baseline battery (without ReS2), which shows similar to 0.184% capacity decay per cycle under the same test conditions. As a HER catalyst, the vertical ReS2 provides very small onset overpotential (<100 mV) and an exceptional exchange-current density (similar to 67.6 mu A/cm(2)), which is vastly superior to the baseline electrode without ReS2. C1 [Gao, Jian; Tan, Jiawei; Li, Baichang; Koratkar, Nikhil] Rensselaer Polytech Inst, Mat Sci & Engn, Troy, NY 12180 USA. [Li, Lu; Koratkar, Nikhil] Rensselaer Polytech Inst, Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Lu, Toh-Ming] Rensselaer Polytech Inst, Phy Appl Phys & Astron, Troy, NY 12180 USA. [Sun, Hao] Univ Toronto, Dept Mech & Ind Engn, Toronto, ON M5S 3G8, Canada. [Idrobo, Juan Carlos] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Singh, Chandra Veer] Univ Toronto, Dept Mat Sci & Engn, Toronto, ON M5S 3E4, Canada. RP Koratkar, N (reprint author), Rensselaer Polytech Inst, Mat Sci & Engn, Troy, NY 12180 USA.; Koratkar, N (reprint author), Rensselaer Polytech Inst, Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. EM koratn@rpi.edu RI Singh, Chandra Veer/B-4632-2008 OI Singh, Chandra Veer/0000-0002-6644-0178 FU USA National Science Foundation [1234641, 1435783, 1510828, 1608171]; New York State under NYSTAR program [C080117]; Rensselaer Polytechnic Institute; Natural Science and Engineering Research Council (NSERC) of Canada FX N.K. and T.M.L. acknowledge funding support from the USA National Science Foundation (award numbers 1234641, 1435783, 1510828, and 1608171), New York State under NYSTAR program C080117, and the John A. Clark and Edward T. Crossan Endowed Chair Professorship at the Rensselaer Polytechnic Institute. C.V.S. and H.S. acknowledge support from Natural Science and Engineering Research Council (NSERC) of Canada for funding and Compute Canada facilities SciNet and SharcNet for computational resources. Microscopy research was conducted as part of a user proposal through ORNL's Center for Nanophase Materials Sciences, which is a U.S. Department of Energy, Office of Science User Facility (JCI). NR 46 TC 8 Z9 8 U1 75 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 JUN PY 2016 VL 16 IS 6 BP 3780 EP 3787 DI 10.1021/acs.nanolett.6b01180 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 DO2WW UT WOS:000377642700054 PM 27187173 ER PT J AU Neukirch, AJ Nie, WY Blancon, JC Appavoo, K Tsai, H Sfeir, MY Katan, C Pedesseau, L Even, J Crochet, JJ Gupta, G Mohite, AD Tretiak, S AF Neukirch, Amanda J. Nie, Wanyi Blancon, Jean-Christophe Appavoo, Kannatassen Tsai, Hsinhan Sfeir, Matthew Y. Katan, Claudine Pedesseau, Laurent Even, Jacky Crochet, Jared J. Gupta, Gautam Mohite, Aditya D. Tretiak, Sergei TI Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials SO NANO LETTERS LA English DT Article DE Organic-inorganic perovskite; polaron; photovoltaic; cation rotations ID ORGANOMETAL HALIDE PEROVSKITES; SOLAR-CELL APPLICATIONS; EXCITON BINDING-ENERGY; HIGH-PERFORMANCE; EFFECTIVE MASSES; CHARGE-CARRIERS; CRYSTAL; METHYLAMMONIUM; SEMICONDUCTORS; LOCALIZATION AB Solution-processed organometallic perovskites have rapidly-developed into atop-candidate for the active layer of photovoltaic devices. Despite the remarkable progress associated with perovsltite materials, many questions about the fundamental photophysical processes taking place in these devices, remain open. High on, the list of unexplained phenomena are very modest mobilities despite low charge carrier effective masses. Moreover, experiments elucidate unique degradation of photocurrent affecting stable operation of perovskite solar cells. These puzzles suggest that, while ionic hybrid perovskite devices may have efficiencies on par with conventional Si and GaAs devices, they exhibit more charge transport phenomena. Here we report the results-from an in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies using both periodic boundary conditions and isolated structures.;Using the hybrid density functional theory, we found that volumetric strain in a CsPbI3 cluster creates a polaron with binding energy of around 300 and 900 meV for holes and electrons, respectively.: In the MAPbI(3) (MA = CH3NH3) cluster, both volumetric strain and MA reorientation effects lead to larger binding energies at around 600 and 1300 meV for holes and electrons, respectively. Such large reorganization energies, suggest appearance of small polarons in organometallic perovskite materials. The fad that both volumetric lattice strain and MA molecular rotational degrees of freedom can cooperate to create :and stabilize polarons indicates that in order to mitigate this problem, formamidinium (FA = HC(NH2)(2)) and cesium (Cs) based crystals and alloys, are potentially better materials for solar cell and other optoelectronic applications. C1 [Neukirch, Amanda J.; Tretiak, Sergei] Los Alamos Natl Lab, Theoret Phys & Chem Mat, POB 1663, Los Alamos, NM 87545 USA. [Nie, Wanyi; Gupta, Gautam; Mohite, Aditya D.] Los Alamos Natl Lab, Mat Phys & Applicat, POB 1663, Los Alamos, NM 87545 USA. [Blancon, Jean-Christophe; Crochet, Jared J.] Los Alamos Natl Lab, Phys Chem & Appl Spect Div, POB 1663, Los Alamos, NM 87545 USA. [Appavoo, Kannatassen; Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Katan, Claudine] Univ Rennes 1, ISCR, CNRS, F-35042 Rennes, France. [Pedesseau, Laurent; Even, Jacky] CNRS, INSA Rennes, Fonct Opt Technol Informat, FOTON UMR 6082, F-35708 Rennes, France. RP Neukirch, AJ; Tretiak, S (reprint author), Los Alamos Natl Lab, Theoret Phys & Chem Mat, POB 1663, Los Alamos, NM 87545 USA. EM ajneukirch@lanl.gov; serg@lanl.gov RI Tretiak, Sergei/B-5556-2009; KATAN, Claudine/I-9446-2012; even, jacky/C-6212-2008; OI Tretiak, Sergei/0000-0001-5547-3647; KATAN, Claudine/0000-0002-2017-5823; even, jacky/0000-0002-4607-3390; Blancon, Jean-Christophe/0000-0002-3833-5792; Crochet, Jared/0000-0002-9570-2173 FU LANL LDRD program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Cellule Energie du CNRS (SOLHYBTRANS Project); University of Rennes 1 (Action Incitative, Defis Scientifique Emergents); Fondation d'entreprises banque Populaire de l'Ouest under Grant PEROPHOT; Center for Functional Nanomaterials, US DOE Office of Science Facility, at Brookhaven National Laboratory [DE-SC0012704] FX The work at Los Alamos National Laboratory (LANL) was supported by the LANL LDRD program (A.J.N., A.D.M, G.G., and S.T.). This work was done in part at Center for Nonlinear Studies (CNLS) and the Center for Integrated Nano technologies CINT), a U.S. Department of Energy and Office of Basic Energy Sciences user facility, at LANL. This research used resources provided by the LANL Institutional Computing Program. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. The work in France was supported by Cellule Energie du CNRS (SOLHYBTRANS Project) and University of Rennes 1 (Action Incitative, Defis Scientifique Emergents 2015). J.E. work was supported by the Fondation d'entreprises banque Populaire de l'Ouest under Grant PEROPHOT 2015. This research used resources of the Center for Functional Nanomaterials, which is a US DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. NR 55 TC 17 Z9 17 U1 49 U2 131 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3809 EP 3816 DI 10.1021/acs.nanolett.6b01218 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 DO2WW UT WOS:000377642700058 PM 27224519 ER PT J AU Li, LG Sun, LY Gomez-Diaz, JS Hogan, NL Lu, P Khatkhatay, F Zhang, WR Jian, J Huang, JJ Su, Q Fan, M Jacob, C Li, J Zhang, XH Jia, QX Sheldon, M Alu, A Li, XQ Wang, HY AF Li, Leigang Sun, Liuyang Gomez-Diaz, Juan Sebastian Hogan, Nicki L. Lu, Ping Khatkhatay, Fauzia Zhang, Wenrui Jian, Jie Huang, Jijie Su, Qing Fan, Meng Jacob, Clement Li, Jin Zhang, Xinghang Jia, Quanxi Sheldon, Matthew Alu, Andrea Li, Xiaoqin Wang, Haiyan TI Self-Assembled Epitaxial Au-Oxide Vertically Aligned Nanocomposites for Nanoscale Metamaterials SO NANO LETTERS LA English DT Article DE Nanoscale metamaterial; plasmonic property; gold nanopillar; BaTiO3; vertically aligned nanocomposite (VAN); self-assembled metamaterial ID OPTICAL-PROPERTIES; GOLD NANORODS; NEGATIVE REFRACTION; DIFFRACTION LIMIT; THIN-FILMS; NANOWIRES; QUANTIFICATION; ALIGNMENT; SURFACES; BATIO3 AB Metamaterials made of nanoscale inclusions or artificial unit cells exhibit exotic optical properties that do not exist in natural materials. Promising applications, such as super-resolution imaging, cloaking, hyperbolic propagation, and ultrafast phase velocities have been demonstrated based on mostly micrometer-scale metamaterials and few nanoscale metamaterials. To date, most metamaterials are created using costly and tedious fabrication techniques with limited paths toward reliable large-scale fabrication. In this work, we demonstrate the one-step direct growth of self-assembled epitaxial metal oxide nanocomposites as a drastically different approach to fabricating large-area nanostructured metamaterials. Using pulsed laser deposition, we fabricated nanocomposite films with vertically aligned gold (Au) nanopillars (similar to 20 nm in diameter) embedded in various oxide matrices with high epitaxial quality. Strong, broad absorption features in the measured absorbance spectrum are clear signatures of plasmon resonances of Au nanopillars. By tuning their densities on selected substrates, anisotropic optical properties are demonstrated via angular dependent and polarization resolved reflectivity measurements and reproduced by full-wave simulations and effective medium theory. Our model predicts exotic properties, such as zero permittivity responses and topological transitions. Our studies suggest that these self-assembled metal oxide nanostructures provide an exciting new material platform to control and enhance optical response at nanometer scales. C1 [Li, Leigang; Zhang, Wenrui; Huang, Jijie; Su, Qing; Sheldon, Matthew; Wang, Haiyan] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Sun, Liuyang; Li, Xiaoqin] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Sun, Liuyang; Li, Xiaoqin] Univ Texas Austin, Ctr Complex Quantum Syst, Austin, TX 78712 USA. [Gomez-Diaz, Juan Sebastian; Alu, Andrea] Univ Texas Austin, Dept Elect & Comp Engn, Austin, TX 78712 USA. [Hogan, Nicki L.; Sheldon, Matthew] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. [Lu, Ping] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Khatkhatay, Fauzia; Jian, Jie; Fan, Meng; Jacob, Clement; Wang, Haiyan] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Li, Jin; Zhang, Xinghang] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, POB 1663, Los Alamos, NM 87545 USA. RP Wang, HY (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.; Wang, HY (reprint author), Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. EM wangh@ece.tamu.edu RI Zhang, Wenrui/D-1892-2015; Alu, Andrea/A-1328-2007 OI Zhang, Wenrui/0000-0002-0223-1924; Alu, Andrea/0000-0002-4297-5274 FU U.S. National Science Foundation [DMR-0846504]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-5CH11231]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Laboratory Directed Research and Development Program; NSF [DMR-1306878]; Welch Foundation [F-1662, F-1802, A-1886]; U.S. Army Research Office [W911NF-11-1-0447]; ONR MURI [N00014-10-1-0942]; China Scholarship Council (CSC) FX The high-resolution STEM work was supported in part by the U.S. National Science Foundation (DMR-0846504). A portion of the electron microscopy experiments were performed at the National Center for Electron Microscopy, Molecular Foundry, which is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-5CH11231. Sandia National Laboratory is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The work at Los Alamos was partially supported by the Laboratory Directed Research and Development Program and was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. L.S. and X.L. gratefully acknowledge support from NSF DMR-1306878, and the Welch Foundation (F-1662). X.L. and A.A. acknowledge the support from the U.S. Army Research Office W911NF-11-1-0447. J.S.G.D and A.A. acknowledge the support of the ONR MURI Grant N00014-10-1-0942 and the Welch Foundation (F-1802). M.S. and N.L.H. acknowledge the support from the Welch Foundation (A-1886). L.L. gratefully thanks the financial support from the China Scholarship Council (CSC). NR 47 TC 1 Z9 1 U1 23 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3936 EP 3943 DI 10.1021/acs.nanolett.6b01575 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 DO2WW UT WOS:000377642700075 PM 27186652 ER PT J AU Capozzi, B Low, JZ Xia, JL Liu, ZF Neaton, JB Campos, LM Venkataraman, L AF Capozzi, Brian Low, Jonathan Z. Xia, Jianlong Liu, Zhen-Fei Neaton, Jeffrey B. Campos, Luis M. Venkataraman, Latha TI Mapping the Transmission Functions of Single-Molecule Junctions SO NANO LETTERS LA English DT Article DE single-molecule junctions; electronic transport; resonant transport; transmission function; electrochemical gating ID CHARGE-TRANSPORT; CONDUCTANCE; THERMOELECTRICITY; THERMOPOWER; LEVEL AB Charge transport phenomena in single-molecule junctions are often dominated by tunneling, with a transmission function dictating the probability that electrons or holes tunnel through the junction. Here, we :present a new and simple technique for measuring, the transmission functions of molecular junctions in the coherent tunneling limit, over an energy range of 1.5 eV around the Fermi energy. We create molecular junctions in an ionic environment with electrodes having different exposed areas, which results in the formation of electric double layets of dissimilar density on the two electrodes: This allows us to electrostatically shift the molecular resonance relative to the junction Fermi levels in a manner that depends on the sign of the applied bias, enabling us to map, out the junction's transmission function and determine the dominant orbital for charge transport in the molecular junction. We demonstrate, this technique using two groups of molecules: one group having molecular resonance energies relatively far from 4 and one group having molecular resonance energies within the accessible bias window. Our results compare well with previous electrochemical gating data, and with transmission functions computed from first principles. Furthermore, with the second group of molecules, We are able to examine the behavior of a molecular junction as a resonance shifts into the bias window. This work provides a new, experimentally simple route for exploring the fundamentals of charge transport at the nanoscale. C1 [Capozzi, Brian; Venkataraman, Latha] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Low, Jonathan Z.; Campos, Luis M.; Venkataraman, Latha] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Xia, Jianlong] Wuhan Univ Technol, Sch Chem Chem Engn & Life Sci, Wuhan 430070, Peoples R China. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy Nano Sci Inst Berkeley, Berkeley, CA 94720 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Kavli Energy Nano Sci Inst Berkeley, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov; lcampos@columbia.edu; lv2117@columbia.edu RI Liu, Zhenfei/D-8980-2017; OI Venkataraman, Latha/0000-0002-6957-6089 FU National Science Foundation [DMR-1507440]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05-CH11231]; Molecular Foundry through U.S. Department of Energy, Office of Basic Energy Sciences [DEAC02- 05CH11231] FX This work was supported primarily by the National Science Foundation grant DMR-1507440. Z.-F. L. and J. B. N. were 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-AC02-05-CH11231. Portions of the computational work was supported by the Molecular Foundry through U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DEAC02- 05CH11231. NR 29 TC 3 Z9 3 U1 23 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3949 EP 3954 DI 10.1021/acs.nanolett.6b01592 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 DO2WW UT WOS:000377642700077 PM 27186894 ER PT J AU Xu, GL Chen, ZH Zhong, GM Liu, YZ Yang, Y Ma, TY Ren, Y Zuo, XB Wu, XH Zhang, XY Amine, K AF Xu, Gui-Liang Chen, Zonghai Zhong, Gui-Ming Liu, Yuzi Yang, Yong Ma, Tianyuan Ren, Yang Zuo, Xiaobing Wu, Xue-Hang Zhang, Xiaoyi Amine, Khalil TI Nanostructured Black Phosphorus/Ketjenblack Multiwalled Carbon Nanotubes Composite as High Performance Anode Material for Sodium-Ion Batteries SO NANO LETTERS LA English DT Article DE Sodium-ion batteries; anode material; nanostructured; black phosphorus; ball milling; sodiation/desodiation ID HIGH-CAPACITY ANODE; RED PHOSPHORUS; LITHIUM-ION; ELECTROLYTES; CAPABILITY; MECHANISM; CATHODE; STORAGE; HYBRID AB Sodium-ion batteries are promising alternatives to lithium ion batteries for large-scale applications. However, the low capacity and poor rate capability of existing anodes for sodium-ion batteries are bottlenecks for future developments. Here, we report a high performance nanostructured anode material for sodium-ion batteries that is fabricated by high energy ball milling to form black phosphorus/Ketjenblack-multiwalled carbon nanotubes (BPC) composite. With this strategy, the BPC composite with a high phosphorus content (70 wt %) could deliver a very high initial Coulombic efficiency (>90%) and high specific capacity with excellent cyclability at high rate of charge/discharge (similar to 1700 mAh g(-1) after 100 cycles at 1.3 A g(-1) based on the mass of P). In situ electrochemical impedance spectroscopy, synchrotron highenergy X-ray diffraction, ex situ small/wide-angle X-ray scattering, high resolution transmission electronic Imicroscopy, and nuclear magnetic resonance were further used to unravel its superior sodium storage performance. The scientific findings gained in this work are expected to serve as, a guide for future, design,on high performance anode material for sodium-ion batteries. C1 [Xu, Gui-Liang; Chen, Zonghai; Ma, Tianyuan; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Liu, Yuzi] Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Ren, Yang; Zuo, Xiaobing; Zhang, Xiaoyi] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Zhong, Gui-Ming; Yang, Yong; Wu, Xue-Hang] Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Collaborat Innovat Ctr Chem Energy Mat, Xiamen 361005, Fujian, Peoples R China. [Ma, Tianyuan] Univ Rochester, Mat Sci Program, 601 Elmwood Ave, Rochester, NY 14627 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zonghai.chen@anl.gov; amine@anl.gov RI Yang, Yong/G-4650-2010; XU, GUILIANG/F-3804-2017 FU U.S. Department of Energy (DOE), Vehicle Technologies Office; U.S. DOE [DE-AC02-06CH11357]; National Natural Science Foundation of China [21233004, 21428303, 21473148] FX Research at the Argonne National Laboratory was funded by U.S. Department of Energy (DOE), Vehicle Technologies Office. Support from Tien Duong of the U.S. DOE's Office of Vehicle Technologies Program is gratefully acknowledged. Use of the Advanced Photon Source, Center of Nanoscale Materials Office of Science User Facilities operated for the U.S. DOE Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Research at State Key Laboratory of Xiamen University was funded by National Natural Science Foundation of China (Grant Nos. 21233004, 21428303, and 21473148). NR 35 TC 5 Z9 6 U1 109 U2 288 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2016 VL 16 IS 6 BP 3955 EP 3965 DI 10.1021/acs.nanolett.6b01777 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DO2WW UT WOS:000377642700078 PM 27222911 ER PT J AU Oakes, BL Nadler, DC Flamholz, A Fellmann, C Staahl, BT Doudna, JA Savage, DF AF Oakes, Benjamin L. Nadler, Dana C. Flamholz, Avi Fellmann, Christof Staahl, Brett T. Doudna, Jennifer A. Savage, David F. TI Profiling of engineering hotspots identifies an allosteric CRISPR-Cas9 switch SO NATURE BIOTECHNOLOGY LA English DT Article ID PLURIPOTENT STEM-CELLS; TARGET DNA RECOGNITION; GENE-EXPRESSION; STRUCTURAL BASIS; MAMMALIAN-CELLS; LIGAND-BINDING; GUIDE RNA; CAS9; PROTEIN; TRANSCRIPTION AB The clustered, regularly interspaced, short palindromic repeats (CRISPR)-associated protein Cas9 from Streptococcus pyogenes is an RNA-guided DNA endonuclease with widespread utility for genome modification. However, the structural constraints limiting the engineering of Cas9 have not been determined. Here we experimentally profile Cas9 using randomized insertional mutagenesis and delineate hotspots in the structure capable of tolerating insertions of a PDZ domain without disruption of the enzyme's binding and cleavage functions. Orthogonal domains or combinations of domains can be inserted into the identified sites with minimal functional consequence. To illustrate the utility of the identified sites, we construct an allosterically regulated Cas9 by insertion of the estrogen receptor-alpha ligand-binding domain. This protein showed robust, ligand-dependent activation in prokaryotic and eukaryotic cells, establishing a versatile one-component system for inducible and reversible Cas9 activation. Thus, domain insertion profiling facilitates the rapid generation of new Cas9 functionalities and provides useful data for future engineering of Cas9. C1 [Oakes, Benjamin L.; Nadler, Dana C.; Flamholz, Avi; Fellmann, Christof; Staahl, Brett T.; Doudna, Jennifer A.; Savage, David F.] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Innovat Genom Initiat, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Doudna, Jennifer A.; Savage, David F.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Savage, David F.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. RP Savage, DF (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Savage, DF (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Savage, DF (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. EM savage@berkeley.edu OI Flamholz, Avi/0000-0002-9278-5479; Nadler, Dana/0000-0002-9792-145X; Fellmann, Christof/0000-0002-9545-5723 FU NIH [1DP2EB018658-01]; Basil O'Connor Starter Scholar Research Award from the March of Dimes; National Science Foundation [IQJEDMS001]; National Science Foundation; Roche Postdoctoral Fellowship [RPF 311] FX We thank S. Qi (Stanford) and J. Dueber (UC Berkeley) for providing the E. coli strain and the PDZ and SH3 domains, respectively. We would like to thank M. O'Connell, S. Sternberg, A. Wright and S. Higgins for productive discussions and readings of the manuscript. This work was supported by a NIH New Innovator Award (1DP2EB018658-01) and a Basil O'Connor Starter Scholar Research Award from the March of Dimes (D.F.S.) and by the National Science Foundation (IQJEDMS001 to J.A.D.); A.F. is funded by a National Science Foundation Graduate Research Fellow, and B.T.S. is funded by a Roche Postdoctoral Fellowship (RPF 311). NR 40 TC 10 Z9 10 U1 9 U2 24 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 EI 1546-1696 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD JUN PY 2016 VL 34 IS 6 BP 646 EP 651 DI 10.1038/nbt.3528 PG 6 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA DO5TT UT WOS:000377846400032 PM 27136077 ER PT J AU Wang, BB Harder, TH Kelly, ST Piens, DS China, S Kovarik, L Keiluweit, M Arey, BW Gilles, MK Laskin, A AF Wang, Bingbing Harder, Tristan H. Kelly, Stephen T. Piens, Dominique S. China, Swarup Kovarik, Libor Keiluweit, Marco Arey, Bruce W. Gilles, Mary K. Laskin, Alexander TI Airborne soil organic particles generated by precipitation SO NATURE GEOSCIENCE LA English DT Article ID BIOLOGICAL AEROSOL-PARTICLES; CANADIAN-LIGHT-SOURCE; ICE NUCLEI; TAR BALLS; ATMOSPHERIC AEROSOLS; BROWN CARBON; IMPACT; RAIN; SPECTROSCOPY; MICROSCOPY AB Airborne organic particles play a critical role in Earth's climate(1), public health(2), air quality(3), and hydrological and carbon cycles(4). However, sources and formation mechanisms for semi-solid and solid organic particles(5) are poorly understood and typically neglected in atmospheric models(6). Laboratory evidence suggests that fine particles can be formed from impaction of mineral surfaces by droplets(7). Here, we use chemical imaging of particles collected following rain events in the Southern Great Plains, Oklahoma, USA and after experimental irrigation to show that raindrop impaction of soils generates solid organic particles. We find that after rain events, sub-micrometre solid particles, with a chemical composition consistent with soil organic matter, contributed up to 60% of atmospheric particles. Our irrigation experiments indicate that intensive water impaction is suffcient to cause ejection of airborne soil organic particles from the soil surface. Chemical imaging and micro-spectroscopy analysis of particle physico-chemical properties suggest that these particles may have important impacts on cloud formation and efficiently absorb solar radiation. We suggest that raindrop induced formation of solid organic particles from soils may be a widespread phenomenon in ecosystems such as agricultural systems and grasslands where soils are exposed to strong, episodic precipitation events(8). C1 [Wang, Bingbing; China, Swarup; Kovarik, Libor; Arey, Bruce W.; Laskin, Alexander] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99354 USA. [Harder, Tristan H.; Kelly, Stephen T.; Piens, Dominique S.; Gilles, Mary K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Harder, Tristan H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Keiluweit, Marco] Univ Massachusetts, Stockbridge Sch Agr, Amherst, MA 01003 USA. [Wang, Bingbing] Xiamen Univ, State Key Lab Marine Environm Sci, Xiamen 361102, Peoples R China. [Wang, Bingbing] Xiamen Univ, Coll Ocean & Earth Sci, Xiamen 361102, Peoples R China. [Kelly, Stephen T.] Carl Zeiss Xray Microscopy Inc, Pleasanton, CA 94588 USA. RP Laskin, A (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99354 USA. EM Alexander.Laskin@pnnl.gov RI Laskin, Alexander/I-2574-2012; Harder, Tristan/H-8186-2016; Kovarik, Libor/L-7139-2016 OI Laskin, Alexander/0000-0002-7836-8417; Harder, Tristan/0000-0001-8352-6494; FU Chemical Imaging Initiative of the Laboratory Directed Research and Development Program at PNNL; US Department of Energy's Atmospheric System Research Program, an Office of Science, Office of Biological and Environmental Research (OBER); OBER at PNNL; US Department of Energy [DE-AC06-76RL0]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences by the Condensed Phase and Interfacial Molecular Sciences Program of the US Department of Energy; Canada Foundation for Innovation; Natural Sciences and Engineering Research Council of Canada; Government of Saskatchewan; Western Economic Diversification Canada; National Research Council Canada; Canadian Institutes of Health Research; University of Saskatchewan FX We are grateful to K. Teske and P. Dowell for assistance in sample collection at the Southern Great Plains site. The Pacific Northwest National Laboratory (PNNL) group acknowledges support from the Chemical Imaging Initiative of the Laboratory Directed Research and Development Program at PNNL. The Lawrence Berkeley National Laboratory (LBNL) group acknowledges support from the US Department of Energy's Atmospheric System Research Program, an Office of Science, Office of Biological and Environmental Research (OBER). The CCSEM/EDX, TEM and helium ion microscopy analyses were performed at Environmental Molecular Sciences Laboratory, a National Scientific User Facility sponsored by OBER at PNNL. PNNL is operated by the US Department of Energy by Battelle Memorial Institute under contract DE-AC06-76RL0. STXM/NEXAFS analysis at beamlines 5.3.2 and 11.0.2 of the Advanced Light Source at LBNL 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. Beamline 11.0.2 also acknowledges support from the Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences by the Condensed Phase and Interfacial Molecular Sciences Program of the US Department of Energy. Soil NEXAFS spectra were acquired at the Canadian Light Source, which is supported by the Canada Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, the University of Saskatchewan, the Government of Saskatchewan, Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. We acknowledge use of the routine operation data from the Atmospheric Radiation Measurement Climate Research Facility at the Southern Great Plains site of OBER (http://www.archive.arm.gov). We acknowledge use of the NOAA Air Resources Laboratory for the provision of the HYSPLIT transport and dispersion model and READY website (http://www.ready.noaa.gov) used in this publication. NR 42 TC 8 Z9 8 U1 15 U2 41 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD JUN PY 2016 VL 9 IS 6 BP 433 EP + DI 10.1038/NGEO2705 PG 6 WC Geosciences, Multidisciplinary SC Geology GA DO0TQ UT WOS:000377491600010 ER PT J AU Murphy, B Pope, P Rura, M Freeborn, E AF Murphy, Brian Pope, Paul Rura, Melissa Freeborn, Ed TI Ding, "Hi, this is Melissa." Ding, "Paul, here." Ding... SO PHOTOGRAMMETRIC ENGINEERING AND REMOTE SENSING LA English DT Editorial Material C1 [Murphy, Brian] GISinc, Birmingham, AL 35244 USA. [Pope, Paul] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Freeborn, Ed] Unmanned Experts Inc, Denver, CO USA. RP Murphy, B (reprint author), GISinc, Birmingham, AL 35244 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC PHOTOGRAMMETRY PI BETHESDA PA 5410 GROSVENOR LANE SUITE 210, BETHESDA, MD 20814-2160 USA SN 0099-1112 J9 PHOTOGRAMM ENG REM S JI Photogramm. Eng. Remote Sens. PD JUN PY 2016 VL 82 IS 6 BP 397 EP 398 PG 2 WC Geography, Physical; Geosciences, Multidisciplinary; Remote Sensing; Imaging Science & Photographic Technology SC Physical Geography; Geology; Remote Sensing; Imaging Science & Photographic Technology GA DN7DS UT WOS:000377236100002 ER PT J AU Fan, YJ Kamath, C AF Fan, Ya Ju Kamath, Chandrika TI Detecting ramp events in wind energy generation using affinity evaluation on weather data SO STATISTICAL ANALYSIS AND DATA MINING LA English DT Article DE Event detection; Sensor streams; Optimization models AB Ramp events, which are significant changes in wind generation over a short interval, make it difficult to schedule wind energy on the power grid. Predicting the occurrences of these events can help control room operators ensure that the load and generation on the power grid are in balance at all times. In this paper, we focus on predicting up-ramp events, which are large increases in generation in a short time interval. We propose a novel detection algorithm that uses historical data to detect incoming pre-ramp events, which are defined as the part of the time series that occurs before ramp events. Using wind energy generation data from Bonneville Power Administration in the mid-Columbia Basin region, and weather data from the nearby meteorological towers, we define the concept of affinity of weather data to the preramp events. This is used to identify important weather variables and predict the pre-ramp events. A comparison of our approach with traditional feature selection and classification methods indicates that our method identifies a similar set of features as important and gives better detection accuracy. (c) 2016 Wiley Periodicals, Inc. Statistical Analysis and Data Mining: The ASA Data Science Journal, 2016 C1 [Fan, Ya Ju; Kamath, Chandrika] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Fan, YJ (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM fan4@llnl.gov NR 24 TC 0 Z9 0 U1 6 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-1864 EI 1932-1872 J9 STAT ANAL DATA MIN JI Stat. Anal. Data Min. PD JUN PY 2016 VL 9 IS 3 BP 155 EP 173 DI 10.1002/sam.11308 PG 19 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications; Statistics & Probability SC Computer Science; Mathematics GA DO0VP UT WOS:000377496700002 ER PT J AU Jernas, M Celind, FS Nookaew, I Mellgren, K Wadenvik, H Olsson, B AF Jernas, Margareta Celind, Frida Stromberg Nookaew, Intawat Mellgren, Karin Wadenvik, Hans Olsson, Bob TI Normalised immune expression in remission of paediatric ITP SO THROMBOSIS AND HAEMOSTASIS LA English DT Letter ID THROMBOCYTOPENIC PURPURA; AUTOIMMUNITY; PLATELETS; CYTOKINES; CHILDREN; CELLS C1 [Jernas, Margareta; Wadenvik, Hans] Univ Gothenburg, Dept Clin Chem & Transfus Med, Gothenburg, Sweden. [Celind, Frida Stromberg; Mellgren, Karin] Queen Silvias Hosp Pediat & Adolescents, Dept Paediat, Gothenburg, Sweden. [Nookaew, Intawat] Oak Ridge Natl Lab, Biosci Div, Comparat Genom Grp, Oak Ridge, TN USA. [Nookaew, Intawat] Chalmers, Dept Biol & Biol Engn, S-41296 Gothenburg, Sweden. [Olsson, Bob] Univ Gothenburg, Dept Psychiat & Neurochem, Gothenburg, Sweden. RP Olsson, B (reprint author), Univ Gothenburg, Dept Psychiat & Neurochem, Sahlgrenska Univ Hosp, V House, SE-43180 Molndal, Sweden. EM bob.olsson@medic.gu.se OI Olsson, Bob/0000-0002-6368-6172 NR 14 TC 0 Z9 0 U1 0 U2 0 PU SCHATTAUER GMBH-VERLAG MEDIZIN NATURWISSENSCHAFTEN PI STUTTGART PA HOLDERLINSTRASSE 3, D-70174 STUTTGART, GERMANY SN 0340-6245 J9 THROMB HAEMOSTASIS JI Thromb. Haemost. PD JUN PY 2016 VL 115 IS 6 BP 1229 EP 1230 DI 10.1160/TH15-12-0976 PG 2 WC Hematology; Peripheral Vascular Disease SC Hematology; Cardiovascular System & Cardiology GA DN7EF UT WOS:000377237400016 PM 26843317 ER PT J AU Desai, SB Madhvapathy, SR Amani, M Kiriya, D Hettick, M Tosun, M Zhou, YZ Dubey, M Ager, JW Chrzan, D Javey, A AF Desai, Sujay B. Madhvapathy, Surabhi R. Amani, Matin Kiriya, Daisuke Hettick, Mark Tosun, Mahmut Zhou, Yuzhi Dubey, Madan Ager, Joel W., III Chrzan, Daryl Javey, Ali TI Gold-Mediated Exfoliation of Ultralarge Optoelectronically-Perfect Monolayers SO ADVANCED MATERIALS LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; FIELD-EFFECT TRANSISTORS; LARGE-AREA; 2-DIMENSIONAL MATERIALS; MOS2; GRAPHENE; LAYERS; WSE2; INTERFACE; FILMS AB Gold-mediated exfoliation of ultralarge optoelectronically perfect monolayers with lateral dimensions up to approximate to 500 mu m is reported. Electrical, optical, and X-ray photo electron spectroscopy characterization show that the quality of the gold-exfoliated flakes is similar to that of tape-exfoliated flakes. Large-area flakes allow manufacturing of large-area monolayer transition metal dichalcogenide electronics. C1 [Desai, Sujay B.; Madhvapathy, Surabhi R.; Amani, Matin; Kiriya, Daisuke; Hettick, Mark; Tosun, Mahmut; Javey, Ali] Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Desai, Sujay B.; Madhvapathy, Surabhi R.; Amani, Matin; Kiriya, Daisuke; Hettick, Mark; Tosun, Mahmut; Ager, Joel W., III; Chrzan, Daryl; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Desai, Sujay B.; Amani, Matin; Kiriya, Daisuke; Hettick, Mark; Tosun, Mahmut; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Zhou, Yuzhi; Ager, Joel W., III; Chrzan, Daryl] Univ Calif Berkeley, Mat Sci & Engn Dept, Berkeley, CA 94720 USA. [Dubey, Madan] US Army, Res Lab, Sensors & Elect Devices Directorate, Adelphi, MD 20723 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Javey, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Javey, A (reprint author), Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu FU Electronics Materials program - Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-SC0004993] FX S.B.D., S.R.M., and M.A. contributed equally to this work. This work was supported by the Electronics Materials program funded by the Director, Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. XPS measurements were performed at the Joint Center for Artificial Photosynthesis (JCAP), a Department of Energy (DOE) Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993 NR 28 TC 2 Z9 2 U1 19 U2 44 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD JUN 1 PY 2016 VL 28 IS 21 BP 4053 EP 4058 DI 10.1002/adma.201506171 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 DN5PK UT WOS:000377122400008 PM 27007751 ER PT J AU Oh, EJ Skerker, JM Kim, SR Wei, N Turner, TL Maurer, MJ Arkin, AP Jin, YS AF Oh, Eun Joong Skerker, Jeffrey M. Kim, Soo Rin Wei, Na Turner, Timothy L. Maurer, Matthew J. Arkin, Adam P. Jin, Yong-Su TI Gene Amplification on Demand Accelerates Cellobiose Utilization in Engineered Saccharomyces cerevisiae SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PENTOSE-PHOSPHATE PATHWAY; CELLULOSIC ETHANOL; XYLOSE FERMENTATION; GLUCOSE REPRESSION; CO-FERMENTATION; SHUTTLE VECTORS; YEAST; EXPRESSION; STRAINS; ALTERNATIVES AB Efficient microbial utilization of cellulosic sugars is essential for the economic production of biofuels and chemicals. Although the yeast Saccharomyces cerevisiae is a robust microbial platform widely used in ethanol plants using sugar cane and corn starch in large-scale operations, glucose repression is one of the significant barriers to the efficient fermentation of cellulosic sugar mixtures. A recent study demonstrated that intracellular utilization of cellobiose by engineered yeast expressing a cellobiose transporter (encoded by cdt-1) and an intracellular beta-glucosidase (encoded by gh1-1) can alleviate glucose repression, resulting in the simultaneous cofermentation of cellobiose and nonglucose sugars. Here we report enhanced cellobiose fermentation by engineered yeast expressing cdt-1 and gh1-1 through laboratory evolution. When cdt-1 and gh1-1 were integrated into the genome of yeast, the single copy integrant showed a low cellobiose consumption rate. However, cellobiose fermentation rates by engineered yeast increased gradually during serial subcultures on cellobiose. Finally, an evolved strain exhibited a 15-fold-higher cellobiose fermentation rate. To identify the responsible mutations in the evolved strain, genome sequencing was performed. Interestingly, no mutations affecting cellobiose fermentation were identified, but the evolved strain contained 9 copies of cdt-1 and 23 copies of gh1-1. We also traced the copy numbers of cdt-1 and gh1-1 of mixed populations during the serial subcultures. The copy numbers of cdt-1 and gh1-1 in the cultures increased gradually with similar ratios as cellobiose fermentation rates of the cultures increased. These results suggest that the cellobiose assimilation pathway (transport and hydrolysis) might be a rate-limiting step in engineered yeast and copies of genes coding for metabolic enzymes might be amplified in yeast if there is a growth advantage. This study indicates that on-demand gene amplification might be an efficient strategy for yeast metabolic engineering. IMPORTANCE In order to enable rapid and efficient fermentation of cellulosic hydrolysates by engineered yeast, we delve into the limiting factors of cellobiose fermentation by engineered yeast expressing a cellobiose transporter (encoded by cdt-1) and an intracellular beta-glucosidase (encoded by gh1-1). Through laboratory evolution, we isolated mutant strains capable of fermenting cellobiose much faster than a parental strain. Genome sequencing of the fast cellobiose-fermenting mutant reveals that there are massive amplifications of cdt-1 and gh1-1 in the yeast genome. We also found positive and quantitative relationships between the rates of cellobiose consumption and the copy numbers of cdt-1 and gh1-1 in the evolved strains. Our results suggest that the cellobiose assimilation pathway (transport and hydrolysis) might be a rate-limiting step for efficient cellobiose fermentation. We demonstrate the feasibility of optimizing not only heterologous metabolic pathways in yeast through laboratory evolution but also on-demand gene amplification in yeast, which can be broadly applicable for metabolic engineering. C1 [Oh, Eun Joong; Turner, Timothy L.; Jin, Yong-Su] Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL USA. [Oh, Eun Joong; Turner, Timothy L.; Jin, Yong-Su] Univ Illinois, Carl R Woese Inst Genom Biol, Urbana, IL USA. [Skerker, Jeffrey M.; Maurer, Matthew J.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Skerker, Jeffrey M.; Maurer, Matthew J.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, Berkeley, CA 94720 USA. [Kim, Soo Rin] Kyungpook Natl Univ, Sch Food Sci & Biotechnol, Daegu, South Korea. [Wei, Na] Univ Notre Dame, Dept Civil & Environm Engn & Earth Sci, Notre Dame, IN 46556 USA. [Skerker, Jeffrey M.; Maurer, Matthew J.; Arkin, Adam P.] Energy Biosci Inst, Berkeley, CA USA. RP Jin, YS (reprint author), Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL USA.; Jin, YS (reprint author), Univ Illinois, Carl R Woese Inst Genom Biol, Urbana, IL USA. EM ysjin@illinois.edu OI Maurer, Matthew/0000-0002-9150-0240; Arkin, Adam/0000-0002-4999-2931 FU Energy Biosciences Institute (EBI) FX This work was supported by funding from the Energy Biosciences Institute (EBI). NR 46 TC 2 Z9 2 U1 1 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JUN PY 2016 VL 82 IS 12 BP 3631 EP 3639 DI 10.1128/AEM.00410-16 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DN4FI UT WOS:000377018400021 PM 27084006 ER PT J AU Li, W Podar, M Morgan-Kiss, RM AF Li, Wei Podar, Mircea Morgan-Kiss, Rachael M. TI Ultrastructural and Single-Cell-Level Characterization Reveals Metabolic Versatility in a Microbial Eukaryote Community from an Ice-Covered Antarctic Lake SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MCMURDO DRY VALLEYS; IN-SITU HYBRIDIZATION; BACTERIOPLANKTON POPULATIONS; MARINE BACTERIOPLANKTON; PHYTOPLANKTON BLOOM; PTERIDOMONAS-DANICA; BETA-DIVERSITY; POLAR NIGHT; PROTISTS; BACTERIA AB The McMurdo Dry Valleys (MCM) of southern Victoria Land, Antarctica, harbor numerous ice-covered bodies of water that provide year-round liquid water oases for isolated food webs dominated by the microbial loop. Single-cell microbial eukaryotes (protists) occupy major trophic positions within this truncated food web, ranging from primary producers (e.g., chlorophytes, haptophytes, and cryptophytes) to tertiary predators (e.g., ciliates, dinoflagellates, and choanoflagellates). To advance the understanding of MCM protist ecology and the roles of MCM protists in nutrient and energy cycling, we investigated potential metabolic strategies and microbial interactions of key MCM protists isolated from a well-described lake (Lake Bonney). Fluorescence-activated cell sorting (FACS) of enrichment cultures, combined with single amplified genome/amplicon sequencing and fluorescence microscopy, revealed that MCM protists possess diverse potential metabolic capabilities and interactions. Two metabolically distinct bacterial clades (Flavobacteria and Methylobacteriaceae) were independently associated with two key MCM lake microalgae (Isochrysis and Chlamydomonas, respectively). We also report on the discovery of two heterotrophic nanoflagellates belonging to the Stramenopila supergroup, one of which lives as a parasite of Chlamydomonas, a dominate primary producer in the shallow, nutrient-poor layers of the lake. IMPORTANCE Single-cell eukaryotes called protists play critical roles in the cycling of organic matter in aquatic environments. In the ice-covered lakes of Antarctica, protists play key roles in the aquatic food web, providing the majority of organic carbon to the rest of the food web (photosynthetic protists) and acting as the major consumers at the top of the food web (predatory protists). In this study, we utilized a combination of techniques (microscopy, cell sorting, and genomic analysis) to describe the trophic abilities of Antarctic lake protists and their potential interactions with other microbes. Our work reveals that Antarctic lake protists rely on metabolic versatility for their energy and nutrient requirements in this unique and isolated environment. C1 [Li, Wei; Morgan-Kiss, Rachael M.] Miami Univ, Dept Microbiol, Oxford, OH 45056 USA. [Podar, Mircea] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Morgan-Kiss, RM (reprint author), Miami Univ, Dept Microbiol, Oxford, OH 45056 USA. EM morganr2@miamioh.edu OI Podar, Mircea/0000-0003-2776-0205 FU National Science Foundation (NSF) [1056396] FX This work, including the efforts of Rachael M. Morgan-Kiss, was funded by National Science Foundation (NSF) (1056396). NR 93 TC 1 Z9 1 U1 9 U2 23 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JUN PY 2016 VL 82 IS 12 BP 3659 EP 3670 DI 10.1128/AEM.00478-16 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DN4FI UT WOS:000377018400024 PM 27084010 ER PT J AU Ruz, J Descalle, MA Alameda, JB Brejnholt, NF Chichester, DL Decker, TA Fernandez-Perea, M Hill, RM Kisner, RA Melin, AM Patton, BW Soufli, R Trellue, H Watson, SM Ziock, KP Pivovaroff, MJ AF Ruz, J. Descalle, M. A. Alameda, J. B. Brejnholt, N. F. Chichester, D. L. Decker, T. A. Fernandez-Perea, M. Hill, R. M. Kisner, R. A. Melin, A. M. Patton, B. W. Soufli, R. Trellue, H. Watson, S. M. Ziock, K. P. Pivovaroff, M. J. TI Characterization and simulation of soft gamma-ray mirrors for their use with spent fuel rods at reprocessing facilities SO APPLIED OPTICS LA English DT Article ID OPTICS AB The use of a grazing incidence optic to selectively reflect K-shell fluorescence emission and isotope-specific lines from special nuclear materials is a highly desirable nondestructive analysis method for use in reprocessing fuel environments. Preliminary measurements have been performed, and a simulation suite has been developed to give insight into the design of the x ray optics system as a function of the source emission, multilayer coating characteristics, and general experimental configurations. The experimental results are compared to the predictions from our simulation toolkit to illustrate the ray-tracing capability and explore the effect of modified optics in future measurement campaigns. (C) 2016 Optical Society of America C1 [Ruz, J.; Descalle, M. A.; Alameda, J. B.; Brejnholt, N. F.; Decker, T. A.; Fernandez-Perea, M.; Hill, R. M.; Soufli, R.; Pivovaroff, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chichester, D. L.; Watson, S. M.] Idaho Natl Lab, Idaho Falls, ID 83402 USA. [Kisner, R. A.; Melin, A. M.; Patton, B. W.; Ziock, K. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Trellue, H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Ruz, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ruzarmendari1@llnl.gov; descalle1@llnl.gov FU U.S. Department of Energy (DOE) [DE-AC52-07NA27344, DE-AC05-00OR22725, DE-AC52-06NA25396, DE-AC07-05ID14517]; National Nuclear Security Administration (NNSA); Office of Defense Nuclear Nonproliferation Research and Development (DNN RD) FX U.S. Department of Energy (DOE) (DE-AC52-07NA27344, DE-AC05-00OR22725, DE-AC52-06NA25396, DE-AC07-05ID14517); National Nuclear Security Administration (NNSA); Office of Defense Nuclear Nonproliferation Research and Development (DNN R&D). NR 24 TC 0 Z9 0 U1 4 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUN 1 PY 2016 VL 55 IS 16 BP 4285 EP 4292 DI 10.1364/AO.55.004285 PG 8 WC Optics SC Optics GA DN4PT UT WOS:000377050400004 PM 27411177 ER PT J AU Learn, R Feigenbaum, E AF Learn, R. Feigenbaum, E. TI Adaptive step-size algorithm for Fourier beam-propagation method with absorbing boundary layer of auto-determined width SO APPLIED OPTICS LA English DT Article AB Two algorithms that enhance the utility of the absorbing boundary layer are presented, mainly in the framework of the Fourier beam-propagation method. One is an automated boundary layer width selector that chooses a near-optimal boundary size based on the initial beam shape. The second algorithm adjusts the propagation step sizes based on the beam shape at the beginning of each step in order to reduce aliasing artifacts. (c) 2016 Optical Society of America C1 [Learn, R.] Florida State Univ, Dept Comp Sci, 400 Dirac Sci Lib, Tallahassee, FL 32306 USA. [Feigenbaum, E.] Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci, Livermore, CA 94550 USA. RP Feigenbaum, E (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci, Livermore, CA 94550 USA. EM eyal@llnl.gov FU Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344, LLNL-JRNL-680837] FX Lawrence Livermore National Laboratory (LLNL) (DE-AC52-07NA27344, LLNL-JRNL-680837). NR 13 TC 0 Z9 0 U1 2 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUN 1 PY 2016 VL 55 IS 16 BP 4402 EP 4407 DI 10.1364/AO.55.004402 PG 6 WC Optics SC Optics GA DN4PT UT WOS:000377050400021 PM 27411194 ER PT J AU Zirnstein, EJ McComas, DJ Elliott, HA Weidner, S Valek, PW Bagenal, F Stern, SA Ennico, K Olkin, CB Weaver, HA Young, LA AF Zirnstein, E. J. McComas, D. J. Elliott, H. A. Weidner, S. Valek, P. W. Bagenal, F. Stern, S. A. Ennico, K. Olkin, C. B. Weaver, H. A. Young, L. A. TI INTERPLANETARY MAGNETIC FIELD SECTOR FROM SOLAR WIND AROUND PLUTO (SWAP) MEASUREMENTS OF HEAVY ION PICKUP NEAR PLUTO SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE planets and satellites: atmospheres; solar wind; Sun: heliosphere ID CARBON FOILS; NEW-HORIZONS AB On 2015 July 14, the New Horizons spacecraft flew by the Pluto system. The Solar Wind Around Pluto (SWAP) instrument on board New Horizons, which detects ions in the energy per charge range similar to 0.035 to 7.5 keV/q, measured the unique interaction between the solar wind and Pluto's atmosphere. Immediately after the closest approach, SWAP detected a burst of heavy ion counts when the instrument's field of view (FOV) was aligned north and south of the Sun-Pluto line and approximately normal to the solar wind flow direction, suggesting their origin as heavy neutral atoms from Pluto that were ionized and being picked up by the solar wind. The trajectories of heavy pickup ions depend on the interplanetary magnetic field (IMF). New Horizons is not equipped with a magnetometer, and we cannot directly measure the IMF. However, we can utilize SWAP's measurements and instrument FOV during this brief period of time to determine the most likely sector of the IMF that could reproduce SWAP's observations of heavy ion pickup. We find that the IMF was most likely in an outward sector, or retrograde to the planets' motion, during the Pluto encounter, and that the heavy ions detected by SWAP are more likely CH4+ than N-2(+). This supports the existence of a methane exosphere at Pluto. C1 [Zirnstein, E. J.; McComas, D. J.; Elliott, H. A.; Weidner, S.; Valek, P. W.] SW Res Inst, 6220 Culebra Rd, San Antonio, TX 78228 USA. [McComas, D. J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [McComas, D. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Valek, P. W.] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA. [Bagenal, F.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80600 USA. [Stern, S. A.; Olkin, C. B.; Young, L. A.] Southwest Res Inst, Boulder, CO 80302 USA. [Ennico, K.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Weaver, H. A.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. RP Zirnstein, EJ (reprint author), SW Res Inst, 6220 Culebra Rd, San Antonio, TX 78228 USA. EM ezirnstein@swri.edu OI Valek, Philip/0000-0002-2318-8750; Bagenal, Fran/0000-0002-3963-1614 FU NASA New Horizons mission FX We gratefully acknowledge the entire New Horizons mission and SWAP teams, who made these observations possible. This work was supported by the NASA New Horizons mission. NR 18 TC 1 Z9 1 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD JUN 1 PY 2016 VL 823 IS 2 AR L30 DI 10.3847/2041-8205/823/2/L30 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DN4JL UT WOS:000377031700009 ER PT J AU Yuan, X Knelman, JE Gasarch, E Wang, DL Nemergut, DR Seastedt, TR AF Yuan, Xia Knelman, Joseph E. Gasarch, Eve Wang, Deli Nemergut, Diana R. Seastedt, Timothy R. TI Plant community and soil chemistry responses to long-term nitrogen inputs drive changes in alpine bacterial communities SO ECOLOGY LA English DT Article DE alpine tundra; plant-microbe interactions; soil bacterial communities; N-deposition; nutrients; 16S rRNA ID MICROBIAL COMMUNITIES; ECOSYSTEM FUNCTION; PRIMARY SUCCESSION; CLIMATE-CHANGE; NUTRIENT AVAILABILITY; TUNDRA COMMUNITIES; SPECIES-DIVERSITY; GLACIER FOREFIELD; N-FERTILIZATION; ENZYME-ACTIVITY AB Bacterial community composition and diversity was studied in alpine tundra soils across a plant species and moisture gradient in 20 yr-old experimental plots with four nutrient addition regimes (control, nitrogen (N), phosphorus (P) or both nutrients). Different bacterial communities inhabited different alpine meadows, reflecting differences in moisture, nutrients and plant species. Bacterial community alpha-diversity metrics were strongly correlated with plant richness and the production of forbs. After meadow type, N addition proved the strongest determinant of bacterial community structure. Structural Equation Modeling demonstrated that tundra bacterial community responses to N addition occur via changes in plant community composition and soil pH resulting from N inputs, thus disentangling the influence of direct (resource availability) vs. indirect (changes in plant community structure and soil pH) N effects that have remained unexplored in past work examining bacterial responses to long-term N inputs in these vulnerable environments. Across meadow types, the relative influence of these indirect N effects on bacterial community structure varied. In explicitly evaluating the relative importance of direct and indirect effects of long-term N addition on bacterial communities, this study provides new mechanistic understandings of the interaction between plant and microbial community responses to N inputs amidst environmental change. C1 [Yuan, Xia; Knelman, Joseph E.; Gasarch, Eve; Seastedt, Timothy R.] Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA. [Yuan, Xia; Wang, Deli] NE Normal Univ, Inst Grassland Sci, Changchun 130024, Jilin, Peoples R China. [Yuan, Xia; Wang, Deli] Minist Educ, Key Lab Vegetat Ecol, Changchun 130024, Jilin, Peoples R China. [Knelman, Joseph E.; Gasarch, Eve; Nemergut, Diana R.; Seastedt, Timothy R.] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Nemergut, Diana R.] Duke Univ, Biol Dept, Durham, NC 27708 USA. [Knelman, Joseph E.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. RP Seastedt, TR (reprint author), Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA.; Seastedt, TR (reprint author), Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. EM timothy.seastedt@colorado.edu FU China Scholarship Council (CSC); National Science Foundation [DEB-1258160]; National Science Foundation graduate research fellowship [DGE 1144083]; Niwot Ridge Long Term Ecological Research program [DEB 1027341] FX We report that co-author Dr. Diana Nemergut passed away in December 2015. While her contributions to the present study were substantial, these are minuscule in comparison to her collective impacts on those fortunate to have known her. We thank several anonymous reviewers for suggesting improvements to an earlier draft of the manuscript. We thank Drs. Amy Concilio and Cathy Tate for help with the field work and assistance with technical details, and Seth Flaaten for help with the Illumina sequencing. Xia Yuan was supported by the China Scholarship Council (CSC). Research was funded in part by the National Science Foundation through a grant (DEB-1258160) to DRN, and a National Science Foundation graduate research fellowship to JEK (Award# DGE 1144083). The Niwot Ridge Long Term Ecological Research program (DEB 1027341) partially supported EG and TRS for their contributions to this study. The data reported in this study are archived in the NWT LTER database (http://culter.colorado.edu/NWT/). NR 71 TC 0 Z9 0 U1 34 U2 71 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0012-9658 EI 1939-9170 J9 ECOLOGY JI Ecology PD JUN PY 2016 VL 97 IS 6 BP 1543 EP 1554 DI 10.1890/15-1160.1 PG 12 WC Ecology SC Environmental Sciences & Ecology GA DN6XN UT WOS:000377219900017 PM 27459784 ER PT J AU Winkler, DE Chapin, KJ Kueppers, LM AF Winkler, Daniel E. Chapin, Kenneth J. Kueppers, Lara M. TI Soil moisture mediates alpine life form and community productivity responses to warming SO ECOLOGY LA English DT Article DE alpine tundra; climate change; climate experiment; degree days; primary productivity; season length; soil moisture; warming ID INTERNATIONAL TUNDRA EXPERIMENT; GROWING-SEASON LENGTH; WESTERN UNITED-STATES; CLIMATE-CHANGE; PLANT COMMUNITY; ENVIRONMENTAL-CHANGE; NIWOT RIDGE; LONG-TERM; BIODIVERSITY HOTSPOT; VEGETATION CHANGE AB Climate change is expected to alter primary production and community composition in alpine ecosystems, but the direction and magnitude of change is debated. Warmer, wetter growing seasons may increase productivity; however, in the absence of additional precipitation, increased temperatures may decrease soil moisture, thereby diminishing any positive effect of warming. Since plant species show individual responses to environmental change, responses may depend on community composition and vary across life form or functional groups. We warmed an alpine plant community at Niwot Ridge, Colorado continuously for four years to test whether warming increases or decreases productivity of life form groups and the whole community. We provided supplemental water to a subset of plots to alleviate the drying effect of warming. We measured annual above-ground productivity and soil temperature and moisture, from which we calculated soil degree days and adequate soil moisture days. Using an information-theoretic approach, we observed that positive productivity responses to warming at the community level occur only when warming is combined with supplemental watering; otherwise we observed -decreased productivity. Watering also increased community productivity in the absence of warming. Forbs accounted for the majority of the productivity at the site and drove the contingent community response to warming, while cushions drove the generally positive response to watering and graminoids muted the community response. Warming advanced snowmelt and increased soil degree days, while watering increased adequate soil moisture days. Heated and watered plots had more adequate soil moisture days than heated plots. Overall, measured changes in soil temperature and moisture in response to treatments were consistent with expected productivity responses. We found that available soil moisture largely determines the responses of this forb-dominated alpine community to simulated climate warming. C1 [Winkler, Daniel E.] Univ Calif Merced, Sch Engn, 5200 North Lake Rd, Merced, CA 95343 USA. [Chapin, Kenneth J.] Univ Calif Los Angeles, Dept Ecol & Evolutionary Biol, 612 Charles E Young Dr East, Los Angeles, CA 90095 USA. [Kueppers, Lara M.] Univ Calif Merced, Sierra Nevada Res Inst, 5200 North Lake Rd, Merced, CA 95343 USA. [Kueppers, Lara M.] Lawrence Berkeley Natl Lab, Climate & Ecosyst Sci Div, One Cyclotron Rd, Berkeley, CA 94720 USA. [Winkler, Daniel E.] Univ Calif Irvine, Dept Ecol & Evolutionary Biol, 321 Steinhaus Hall, Irvine, CA 92697 USA. RP Winkler, DE (reprint author), Univ Calif Merced, Sch Engn, 5200 North Lake Rd, Merced, CA 95343 USA.; Winkler, DE (reprint author), Univ Calif Irvine, Dept Ecol & Evolutionary Biol, 321 Steinhaus Hall, Irvine, CA 92697 USA. EM winklerde@gmail.com RI Kueppers, Lara/M-8323-2013; OI Kueppers, Lara/0000-0002-8134-3579; Chapin, Kenneth/0000-0002-8382-4050; Winkler, Daniel/0000-0003-4825-9073 FU Office of Science, (BER), US Department of Energy; Environmental Systems Graduate Group at the University of California (UC), Merced; Environmental Systems Graduate Division at the University of California (UC), Merced FX This research was supported by the Office of Science, (BER), US Department of Energy. Additional funding was provided by the Environmental Systems Graduate Group and Graduate Division at the University of California (UC), Merced. We thank the Mountain Research Station and Niwot Ridge LTER at the University of Colorado, Boulder for logistical support and UC Los Angeles' Ecology and Evolutionary Biology Department for use of laboratory space. Additionally, we thank all who assisted in data collection and maintenance of the experiment, especially M. Barlerin, S. Barlerin, S. Ferrenberg, S. Love-Stowell, E. Brown, R. Butz, A. Dixon, A. Faist, A. Farnham, M. Jabis, M. Oldfather, S. Roussel, A. Szendrenyi, and C. Vagnier. We thank C. Castanha, A. Moyes, M. Fernandez, Y. Lu, K. Lubetkin, P. Rundel, D. Svehla Christianson, and A. L. Westerling for valuable discussions of early drafts of this manuscript and anonymous reviewers for helpful comments. NR 96 TC 2 Z9 2 U1 20 U2 41 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0012-9658 EI 1939-9170 J9 ECOLOGY JI Ecology PD JUN PY 2016 VL 97 IS 6 BP 1555 EP 1565 DI 10.1890/15-1197.1 PG 11 WC Ecology SC Environmental Sciences & Ecology GA DN6XN UT WOS:000377219900018 PM 27459785 ER PT J AU Riscassi, A Miller, C Brooks, S AF Riscassi, Ami Miller, Carrie Brooks, Scott TI SEASONAL AND FLOW-DRIVEN DYNAMICS OF PARTICULATE AND DISSOLVED MERCURY AND METHYLMERCURY IN A STREAM IMPACTED BY AN INDUSTRIAL MERCURY SOURCE SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE Mercury; Methylmercury; Industrial contamination; Stream; Stormflow ID SOIL ORGANIC-MATTER; REDUCED SULFUR; METHYL-MERCURY; RIVER SYSTEM; TRANSPORT; WATER; BIOACCUMULATION; SEDIMENTS; COMPLEXATION; ECOSYSTEMS AB Sediments and floodplain soils in the East Fork Poplar Creek watershed (Oak Ridge, TN, USA) are contaminated with high levels of mercury (Hg) from an industrial source at the headwaters. Although baseflow conditions have been monitored, concentrations of Hg and methylmercury (MeHg) during high-flow storm events, when the stream is more hydrologically connected to the floodplain, have yet to be assessed. The present study evaluated baseflow and event-driven Hg and MeHg dynamics in East Fork Poplar Creek, 5 km upstream of the confluence with Poplar Creek, to determine the importance of hydrology to in-stream concentrations and downstreamloads and to ascertain whether the dynamics are comparable to those of systems without an industrial Hg source. Particulate Hg and MeHg were positively correlated with discharge (r(2) = 0.64 and 0.58, respectively) and total suspended sediment (r(2) = 0.97 and 0.89, respectively), and dissolved Hg also increased with increasing flow (r(2) = 0.18) and was associated with increases in dissolved organic carbon (r(2) = 0.65), similar to the dynamics observed in uncontaminated systems. Dissolved MeHg decreased with increases in discharge (r(2) = 0.23) and was not related to dissolved organic carbon concentrations (p = 0.56), dynamics comparable to relatively uncontaminated watersheds with a small percentage of wetlands (<10%). Although stormflows exert a dominant control on particulate Hg, particulate MeHg, and dissolved Hg concentrations and loads, baseflows were associated with the highest dissolved MeHg concentration (0.38 ng/L) and represented the majority of the annual dissolved MeHg load. Published 2015 Wiley Periodicals, Inc. on behalf of SETAC. This article is a US Government work, and as such, is in the public domain in the United States of America. C1 [Riscassi, Ami; Miller, Carrie; Brooks, Scott] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. RP Riscassi, A (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM alr8m@virginia.edu FU US Department of Energy (DOE), Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research Program FX The present study was funded by the US Department of Energy (DOE), Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research Program and is a product of the Science Focus Area at Oak Ridge National Laboratory. The isotope(s) used in this research were supplied by the USDOE Office of Science by the Isotope Program in the Office of Nuclear Physics. We thank K. Hanzelka from the USDOE Environmental Compliance Department for providing Station 17 discharge data and R. Currier, the operations supervisor at the Oak Ridge wastewater treatment plant, for providing WWTP outflow data. NR 72 TC 1 Z9 1 U1 10 U2 20 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0730-7268 EI 1552-8618 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD JUN PY 2016 VL 35 IS 6 BP 1386 EP 1400 DI 10.1002/etc.3310 PG 15 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA DN4JN UT WOS:000377031900009 PM 26574732 ER PT J AU Teeguarden, JG Twaddle, NC Churchwell, MI Doerge, DR AF Teeguarden, Justin G. Twaddle, Nathan C. Churchwell, Mona I. Doerge, Daniel R. TI Urine and serum biomonitoring of exposure to environmental estrogens I: Bisphenol A in pregnant women SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Article DE Bisphenol A; Pharmacokinetics; Exposure; Pregnancy; Biomonitoring; Endocrine disruptors ID SPRAGUE-DAWLEY RATS; ROUTE DEPENDENT DOSIMETRY; TANDEM MASS-SPECTROMETRY; UMBILICAL-CORD BLOOD; ENDOCRINE DISRUPTORS; RHESUS-MONKEYS; PHARMACOKINETIC MODEL; LIQUID-CHROMATOGRAPHY; VIVO EXTRAPOLATION; BPA CONCENTRATIONS AB Despite its very low oral bioavailability and rapid elimination, multiple reports of unexpectedly high bisphenol A (BPA) concentrations in the serum of pregnant mothers or cord blood have raised questions about BPA exposures during pregnancy. Thirty healthy pregnant women recruited to the study were evaluated for total BPA exposure over a 30-h period comprising one-half day in the field and one day in a clinical setting. BPA and its metabolites were measured in serum and total BPA was measured in matching urine samples. The mean total exposure was similar to the 50th percentile of exposure for U.S. women and pregnant women in a large North American cohort. Twenty volunteers had total daily exposures equal to or exceeding the U.S. mean, and six volunteers had exposures exceeding the 75th percentile. Women working as cashiers did not have higher total BPA exposure. BPA was detected in some serum samples (0.25-0.51 ng/ml), but showed no relationship to total BPA in corresponding urine samples, no relationship to total BPA exposure, and had unconjugated BPA fractions of 60-80%, consistent with established criteria for sample contamination. We conclude that typical exposures of North American pregnant women produce internal exposures to BPA in the picomolar range. (C) 2016 Published by Elsevier Ltd. C1 [Teeguarden, Justin G.] Pacific NW Natl Lab, Hlth Effects & Exposure Sci, Richland, WA 99352 USA. [Teeguarden, Justin G.] Oregon State Univ, Dept Environm & Mol Toxicol, Corvallis, OR 97331 USA. [Twaddle, Nathan C.; Churchwell, Mona I.; Doerge, Daniel R.] US FDA, Div Biochem Toxicol, Natl Ctr Toxicol Res, Jefferson, AR 72079 USA. RP Teeguarden, JG (reprint author), 902 Battelle Blvd, Richland, WA 99352 USA. EM justin.teeguarden@pnl.gov; nathan.twaddle@fda.hhs.gov; mona.churchwell@fda.hhs.gov; daniel.doerge@fda.hhs.gov FU American Chemistry Council, BPA Global Polycarbonate Group; U.S. Food and Drug Administration FX Funding for this research was provided by a grant from the American Chemistry Council, BPA Global Polycarbonate Group. ACC and member affiliates did not contribute to the study design, data analysis, reporting, or writing and review of the manuscript. The NUR laboratory activities were supported by U.S. Food and Drug Administration funding. The views expressed in this manuscript do not necessarily reflect those of the U.S. Food and Drug Administration. NR 123 TC 3 Z9 3 U1 10 U2 21 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 EI 1873-6351 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD JUN PY 2016 VL 92 BP 129 EP 142 DI 10.1016/j.fct.2016.03.023 PG 14 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA DN1CR UT WOS:000376804400014 PM 27038865 ER PT J AU Karmaus, AL Filer, DL Martin, MT Houck, KA AF Karmaus, Agnes L. Filer, Dayne L. Martin, Matthew T. Houck, Keith A. TI Evaluation of food-relevant chemicals in the ToxCast high-throughput screening program SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Article DE ToxCast; Food additive; Food contact substance; Pesticide; High-throughput screening ID NORDIHYDROGUAIARETIC ACID NDGA; ENVIRONMENTAL CHEMICALS; RISK-ASSESSMENT; BIOACTIVITY; FRAMEWORK; UPDATE AB Thousands of chemicals are directly added to or come in contact with food, many of which have undergone little to no toxicological evaluation. The landscape of the food-relevant chemical universe was evaluated using cheminformatics, and subsequently the bioactivity of food-relevant chemicals across the publicly available ToxCast highthroughput screening program was assessed. In total, 8659 food-relevant chemicals were compiled including direct food additives, food contact substances, and pesticides. Of these food-relevant chemicals, 4719 had curated structure definition files amenable to defining chemical fingerprints, which were used to cluster chemicals using a selforganizing map approach. Pesticides, and direct food additives clustered apart from one another with food contact substances generally in between, supporting that these categories not only reflect different uses but also distinct chemistries. Subsequently, 1530 food-relevant chemicals were identified in ToxCast comprising 616 direct food additives, 371 food contact substances, and 543 pesticides. Bioactivity across ToxCast was filtered for cytotoxicity to identify selective chemical effects. Initiating analyses from strictly chemical-based methodology or bioactivity/cytotoxicity-driven evaluation presents unbiased approaches for prioritizing chemicals. Although bioactivity in vitro is not necessarily predictive of adverse effects in vivo, these data provide insight into chemical properties and cellular targets through which foodrelevant chemicals elicit bioactivity. (C) 2016 The Authors. Published by Elsevier Ltd. C1 [Karmaus, Agnes L.] ILSI North Amer, Tech Comm Food & Chem Safety, Washington, DC 20005 USA. [Karmaus, Agnes L.; Filer, Dayne L.] US EPA, ORISE, Off Res & Dev, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA. [Martin, Matthew T.; Houck, Keith A.] US EPA, Off Res & Dev, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA. RP Karmaus, AL (reprint author), ILSI North Amer, 1156 15th St NW,Suite 200, Washington, DC 20005 USA. EM agnes.karmaus@gmail.com OI Karmaus, Agnes/0000-0003-4421-6164 FU ILSI North America Technical Committee on Food and Chemical Safety; ILSI North America Food and Chemical Safety FX The authors thank the ILSI North America Technical Committee on Food and Chemical Safety for their guidance, support, and critical review of this work. The authors would also like to thank the U.S. FDA Center for Food Safety and Applied Nutrition (CFSAN) in graciously providing CASRN for entries associated with the FDA GRAS Notices inventory, and the Flavor and Extract Manufacturers Association (FEMA) for providing CASRN of entries associated with the FEMA GRAS inventory. ALK was supported by the ILSI North America Food and Chemical Safety 2012 Summer Fellowship. NR 32 TC 6 Z9 6 U1 5 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 EI 1873-6351 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD JUN PY 2016 VL 92 BP 188 EP 196 DI 10.1016/j.fct.2016.04.012 PG 9 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA DN1CR UT WOS:000376804400019 PM 27103583 ER PT J AU Tremsin, AS Makowska, MG Perrodin, D Shalapska, T Khodyuk, IV Trtik, P Boillat, P Vogel, SC Losko, AS Strobl, M Kuhn, LT Bizarri, GA Bourret-Courchesne, ED AF Tremsin, Anton S. Makowska, Malgorzata G. Perrodin, Didier Shalapska, Tetiana Khodyuk, Ivan V. Trtik, Pavel Boillat, Pierre Vogel, Sven C. Losko, Adrian S. Strobl, Markus Kuhn, L. Theil Bizarri, Gregory A. Bourret-Courchesne, Edith D. TI In situ diagnostics of the crystal-growth process through neutron imaging: application to scintillators SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE neutron imaging; non-destructive testing; crystal growth; scintillators; in situ diagnostics ID RESONANCE-ABSORPTION RADIOGRAPHY; TEMPERATURE-MEASUREMENT; SPECTROSCOPY; RESOLUTION; BEAMLINE; FACILITY; BABRCL AB Neutrons are known to be unique probes in situations where other types of radiation fail to penetrate samples and their surrounding structures. In this paper it is demonstrated how thermal and cold neutron radiography can provide time-resolved imaging of materials while they are being processed (e.g. while growing single crystals). The processing equipment, in this case furnaces, and the scintillator materials are opaque to conventional X-ray interrogation techniques. The distribution of the europium activator within a BaBrCl:Eu scintillator (0.1 and 0.5% nominal doping concentrations per mole) is studied in situ during the melting and solidification processes with a temporal resolution of 5-7 s. The strong tendency of the Eu dopant to segregate during the solidification process is observed in repeated cycles, with Eu forming clusters on multiple length scales (only for clusters larger than similar to 50 mu m, as limited by the resolution of the present experiments). It is also demonstrated that the dopant concentration can be quantified even for very low concentration levels (similar to 0.1%) in 10 mm thick samples. The interface between the solid and liquid phases can also be imaged, provided there is a sufficient change in concentration of one of the elements with a sufficient neutron attenuation cross section. Tomographic imaging of the BaBrCl:0.1% Eu sample reveals a strong correlation between crystal fractures and Eu-deficient clusters. The results of these experiments demonstrate the unique capabilities of neutron imaging for in situ diagnostics and the optimization of crystal-growth procedures. C1 [Tremsin, Anton S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Makowska, Malgorzata G.; Kuhn, L. Theil] Tech Univ Denmark, Dept Energy Convers & Storage, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. [Makowska, Malgorzata G.; Strobl, Markus] European Spallat Source ESS AB, POB 176, SE-22100 Lund, Sweden. [Perrodin, Didier; Shalapska, Tetiana; Khodyuk, Ivan V.; Bizarri, Gregory A.; Bourret-Courchesne, Edith D.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Trtik, Pavel; Boillat, Pierre] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Vogel, Sven C.; Losko, Adrian S.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Tremsin, AS (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM ast@ssl.berkeley.edu RI Boillat, Pierre/N-9296-2016; OI Boillat, Pierre/0000-0002-5683-8086; Vogel, Sven C./0000-0003-2049-0361 FU US Department of Energy/NNSA/DNN RD; Lawrence Berkeley National Laboratory [AC02-05CH11231] FX The authors acknowledge the valuable support given by scientists at the Paul Scherrer Institute: Manuel Morgano, Anders Kaestner and Eberhard Lehmann for their help in conducting the experiments. This work was supported by the US Department of Energy/NNSA/DNN R&D and carried out at Lawrence Berkeley National Laboratory under contract No. AC02-05CH11231. The authors also acknowledge support from DanScatt for covering travel expenses for MGM and LTK, and the shipping costs of the furnace equipment. NR 35 TC 0 Z9 0 U1 9 U2 15 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2016 VL 49 BP 743 EP 755 DI 10.1107/S1600576716004350 PN 3 PG 13 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DN4GB UT WOS:000377020600003 ER PT J AU Suh, HS Chen, XX Rincon-Delgadillo, PA Jiang, Z Strzalka, J Wang, J Chen, W Gronheid, R de Pablo, JJ Ferrier, N Doxastakis, M Nealey, PF AF Suh, Hyo Seon Chen, Xuanxuan Rincon-Delgadillo, Paulina A. Jiang, Zhang Strzalka, Joseph Wang, Jin Chen, Wei Gronheid, Roel de Pablo, Juan J. Ferrier, Nicola Doxastakis, Manolis Nealey, Paul F. TI Characterization of the shape and line-edge roughness of polymer gratings with grazing incidence small-angle X-ray scattering and atomic force microscopy SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE grazing-incidence small-angle X-ray scattering; GISAXS; polymer gratings; line-edge roughness; grating truncation rods ID FOURIER-TRANSFORM; DIFFRACTION INTENSITIES; MULTILAYER GRATINGS; NEUTRON-SCATTERING; REFLECTION; SCATTEROMETRY; TRANSMISSION; SURFACES; COPOLYMERS; FILMS AB Grazing-incidence small-angle X-ray scattering (GISAXS) is increasingly used for the metrology of substrate-supported nanoscale features and nanostructured films. In the case of line gratings, where long objects are arranged with a nanoscale periodicity perpendicular to the beam, a series of characteristic spots of high-intensity (grating truncation rods, GTRs) are recorded on a two-dimensional detector. The intensity of the GTRs is modulated by the three-dimensional shape and arrangement of the lines. Previous studies aimed to extract an average cross-sectional profile of the gratings, attributing intensity loss at GTRs to sample imperfections. Such imperfections are just as important as the average shape when employing soft polymer gratings which display significant line-edge roughness. Herein are reported a series of GISAXS measurements of polymer line gratings over a range of incident angles. Both an average shape and fluctuations contributing to the intensity in between the GTRs are extracted. The results are critically compared with atomic force microscopy (AFM) measurements, and it is found that the two methods are in good agreement if appropriate corrections for scattering from the substrate (GISAXS) and contributions from the probe shape (AFM) are accounted for. C1 [Suh, Hyo Seon; Chen, Xuanxuan; de Pablo, Juan J.; Ferrier, Nicola; Doxastakis, Manolis; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Suh, Hyo Seon; Chen, Wei; de Pablo, Juan J.; Doxastakis, Manolis; Nealey, Paul F.] Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Rincon-Delgadillo, Paulina A.] IMEC, Kapeldreef 75, B-3001 Louvain, Belgium. [Jiang, Zhang; Strzalka, Joseph; Wang, Jin] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Ferrier, Nicola] Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Doxastakis, M; Nealey, PF (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.; Doxastakis, M; Nealey, PF (reprint author), Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM edoxastakis@anl.gov; nealey@uchicago.edu RI Chen, Wei/G-6055-2011; OI Chen, Wei/0000-0001-8906-4278; Doxastakis, Manolis/0000-0002-9175-9906 FU DOE Office of Science [DE-AC02-06CH11357] FX The submitted manuscript was created by UChicago Argonne, LLC, the Operator of Argonne National Laboratory ('Argonne'). Argonne, a US Department of Energy (DOE) Office of Science Laboratory, is operated under contract No. DE-AC02-06CH11357. The US Government retains for itself, and others acting on its behalf, a paid-up nonexclusive irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Goverment. This research used resources of the Advanced Photon Source and the Center for Nanoscale Materials, a US DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract No. DE-AC02-06CH11357. NR 43 TC 0 Z9 0 U1 10 U2 19 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2016 VL 49 BP 823 EP 834 DI 10.1107/S1600576716004453 PN 3 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DN4GB UT WOS:000377020600011 ER PT J AU Lyubimov, AY Uervirojnangkoorn, M Zeldin, OB Brewster, AS Murray, TD Sauter, NK Berger, JM Weis, WI Brunger, AT AF Lyubimov, Artem Y. Uervirojnangkoorn, Monarin Zeldin, Oliver B. Brewster, Aaron S. Murray, Thomas D. Sauter, Nicholas K. Berger, James M. Weis, William I. Brunger, Axel T. TI IOTA: integration optimization, triage and analysis tool for the processing of XFEL diffraction images SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review DE diffraction data processing; X-ray free-electron lasers; XFELs; serial femtosecond crystallography; indexing and integration; computer programs ID FREE-ELECTRON LASER; SERIAL FEMTOSECOND CRYSTALLOGRAPHY; COHERENT-LIGHT SOURCE; X-RAY-DIFFRACTION; ROOM-TEMPERATURE; PHOTOSYSTEM-II; MICROCRYSTALS; PARTIALITY; DETECTORS; CRYSTALS AB Serial femtosecond crystallography (SFX) uses an X-ray free-electron laser to extract diffraction data from crystals not amenable to conventional X-ray light sources owing to their small size or radiation sensitivity. However, a limitation of SFX is the high variability of the diffraction images that are obtained. As a result, it is often difficult to determine optimal indexing and integration parameters for the individual diffraction images. Presented here is a software package, called IOTA, which uses a grid-search technique to determine optimal spot-finding parameters that can in turn affect the success of indexing and the quality of integration on an image-by-image basis. Integration results can be filtered using a priori information about the Bravais lattice and unit-cell dimensions and analyzed for unit-cell isomorphism, facilitating an improvement in subsequent data-processing steps. C1 [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Weis, William I.; Brunger, Axel T.] Stanford Univ, Dept Mol & Cellular Physiol, 318 Campus Dr, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Dept Neurol & Neurol Sci, 318 Campus Dr, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Weis, William I.; Brunger, Axel T.] Stanford Univ, Dept Biol Struct, 318 Campus Dr, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Weis, William I.; Brunger, Axel T.] Stanford Univ, Dept Photon Sci, 318 Campus Dr, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. [Brewster, Aaron S.; Sauter, Nicholas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. [Murray, Thomas D.] Univ Calif Berkeley, Biophys Grad Grp, Berkeley, CA 94720 USA. [Murray, Thomas D.; Berger, James M.] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. RP Lyubimov, AY (reprint author), Stanford Univ, Dept Mol & Cellular Physiol, 318 Campus Dr, Stanford, CA 94305 USA.; Lyubimov, AY (reprint author), Stanford Univ, Dept Neurol & Neurol Sci, 318 Campus Dr, Stanford, CA 94305 USA.; Lyubimov, AY (reprint author), Stanford Univ, Dept Biol Struct, 318 Campus Dr, Stanford, CA 94305 USA.; Lyubimov, AY (reprint author), Stanford Univ, Dept Photon Sci, 318 Campus Dr, Stanford, CA 94305 USA.; Lyubimov, AY (reprint author), Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. EM lyubimov@stanford.edu FU NIGMS NIH HHS [R01 GM102520] NR 30 TC 4 Z9 4 U1 1 U2 1 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2016 VL 49 BP 1057 EP 1064 DI 10.1107/S1600576716006683 PN 3 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DN4GB UT WOS:000377020600038 PM 27275148 ER PT J AU Ginn, HM Evans, G Sauter, NK Stuart, DI AF Ginn, Helen Mary Evans, Gwyndaf Sauter, Nicholas K. Stuart, David Ian TI On the release of cppxfel for processing X-ray free-electron laser images SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review DE X-ray free-electron lasers; XFELS; serial femtosecond crystallography; data analysis; computer programs. ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; PROTEIN NANOCRYSTALLOGRAPHY; ROOM-TEMPERATURE; POST-REFINEMENT; PHOTOSYSTEM-II; DATA QUALITY; DIFFRACTION; SPECTROSCOPY; MODEL AB As serial femtosecond crystallography expands towards a variety of delivery methods, including chip-based methods, and smaller collected data sets, the requirement to optimize the data analysis to produce maximum structure quality is becoming increasingly pressing. Here cppxfel, a software package primarily written in C++, which showcases several data analysis techniques, is released. This software package presently indexes images using DIALS (diffraction integration for advanced light sources) and performs an initial orientation matrix refinement, followed by post-refinement of individual images against a reference data set. Cppxfel is released with the hope that the unique and useful elements of this package can be repurposed for existing software packages. However, as released, it produces high-quality crystal structures and is therefore likely to be also useful to experienced users of X-ray free-electron laser (XFEL) software who wish to maximize the information extracted from a limited number of XFEL images. C1 [Ginn, Helen Mary; Stuart, David Ian] Wellcome Trust Ctr Human Genet, Div Struct Biol, Roosevelt Dr, Oxford OX3 7BN, Oxon, England. [Evans, Gwyndaf; Stuart, David Ian] Diamond House,Harwell Sci & Innovat Campus, Didcot OX11 QX, Oxon, England. [Sauter, Nicholas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Stuart, DI (reprint author), Wellcome Trust Ctr Human Genet, Div Struct Biol, Roosevelt Dr, Oxford OX3 7BN, Oxon, England.; Stuart, DI (reprint author), Diamond House,Harwell Sci & Innovat Campus, Didcot OX11 QX, Oxon, England. EM dave@strubi.ox.ac.uk OI Evans, Gwyndaf/0000-0002-6079-2201 FU NIGMS NIH HHS [R01 GM095887, R01 GM102520] NR 36 TC 6 Z9 6 U1 2 U2 5 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2016 VL 49 BP 1065 EP 1072 DI 10.1107/S1600576716006981 PN 3 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DN4GB UT WOS:000377020600039 PM 27275149 ER PT J AU Semin, BK Seibert, M AF Semin, Boris K. Seibert, Michael TI Substituting Fe for two of the four Mn ions in photosystem II-effects on water-oxidation SO JOURNAL OF BIOENERGETICS AND BIOMEMBRANES LA English DT Article DE Iron; Manganese; Oxygen-evolving complex; Photosystem II; Fluorescence yield ID OXYGEN-EVOLVING COMPLEX; BINDING-SITE; ELECTRON DONATION; HIGH-AFFINITY; COLORIMETRIC DETERMINATION; RIBONUCLEOTIDE REDUCTASE; PEROXIDE FORMATION; MANGANESE CLUSTER; OXIDIZING COMPLEX; MOLECULAR-OXYGEN AB We have investigated the interaction of Fe(II) cations with Ca-depleted PSII membranes (PSII[-Ca,4Mn]) in the dark and found that Fe(II) incubation removes 2 of 4 Mn ions from the tetranuclear Mn cluster of the photosynthetic O-2-evolving complex (OEC). The reduction of Mn ions in PSII(-Ca,4Mn) by Fe(II) and the concomitant release of two Mn(II) cations is accompanied by the binding of newly generated Fe(III) in at least one vacated Mn site. Flash-induced chlorophyll (Chl) fluorescence yield measurements of this new 2Mn/nFe cluster (PSII[-Ca,2Mn,nFe]) show that charge recombination in the presence of 3-(3,4-dichlorophenyl)-1,1-dimethylurea (DCMU) occurs between Q(a) (-) and the remaining Mn/Fe cluster (but not Y-Z (au)) in the OEC, and extraction of 2 Mn occurs uniformly in all PSII complexes. No O-2 evolution is observed, but the heteronuclear metal cluster in PSII(-Ca,2Mn,nFe) samples is still able to supply electrons for reduction of the exogenous electron acceptor, 2,6-dichlorophrenolindophenol, by photooxidizing water and producing H2O2 in the absence of an exogenous donor as seen previously with PSII(-Ca,4Mn). Selective extraction of Mn or Fe cations from the 2Mn/nFe heteronuclear cluster demonstrates that the high-affinity Mn-binding site is occupied by one of the iron cations. It is notable that partial water-oxidation function still occurs when only two Mn cations are present in the PSII OEC. C1 [Semin, Boris K.; Seibert, Michael] Natl Renewable Energy Lab, BioEnergy Sci & Technol Directorate, Golden, CO 80401 USA. [Semin, Boris K.] Moscow MV Lomonosov State Univ, Dept Biophys, Fac Biol, Moscow 119234, Russia. RP Semin, BK (reprint author), Natl Renewable Energy Lab, BioEnergy Sci & Technol Directorate, Golden, CO 80401 USA.; Semin, BK (reprint author), Moscow MV Lomonosov State Univ, Dept Biophys, Fac Biol, Moscow 119234, Russia. EM semin@biophys.msu.ru FU US Department of Energy [DE-AC36-08-GO28308]; US Department of Energy, Office of Science, Office of Basic Energy Sciences FX The authors acknowledge the contribution of Drs. Paul King and Michael Himmel for their critical reading of an earlier version of the manuscript and valuable suggestions for its improvement. The work at the National Renewable Energy Laboratory (NREL) was carried out under US Department of Energy contract number DE-AC36-08-GO28308. This study was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (MS). MS also acknowledges the NREL Emeritus Program. NR 58 TC 0 Z9 0 U1 9 U2 25 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0145-479X EI 1573-6881 J9 J BIOENERG BIOMEMBR JI J. Bioenerg. Biomembr. PD JUN PY 2016 VL 48 IS 3 BP 227 EP 240 DI 10.1007/s10863-016-9651-2 PG 14 WC Biophysics; Cell Biology SC Biophysics; Cell Biology GA DN4GT UT WOS:000377022700005 PM 26847716 ER PT J AU Yang, D Xu, PH Guan, EJ Browning, ND Gates, BC AF Yang, Dong Xu, Pinghong Guan, Erjia Browning, Nigel D. Gates, Bruce C. TI Rhodium pair-sites on magnesium oxide: Synthesis, characterization, and catalysis of ethylene hydrogenation SO JOURNAL OF CATALYSIS LA English DT Article DE Supported rhodium dimer; Supported single-site catalyst; Supported pair-site catalyst; Metal fragmentation; Metal aggregation; Ethylene hydrogenation ID SCANNING-TUNNELING-MICROSCOPY; INDUCED STRUCTURAL-CHANGES; ZEOLITE-SUPPORTED RHODIUM; DEALUMINATED Y-ZEOLITE; X-RAY-ABSORPTION; CO OXIDATION; PROPYLENE HYDROFORMYLATION; HYDROXYL-GROUPS; CLUSTERS; SURFACE AB Supported rhodium acetate dimers were prepared by the reaction of Rh-2(OAc)(4) (OAc is acetate) with highly dehydroxylated MgO powder and characterized by extended X-ray absorption fine structure and infrared (IR) spectra, which show that the supported species were well represented as Rh-2(OAc)(3), with each Rh atom on average bonded to one oxygen atom of the MgO surface. Aberration-corrected scanning transmission electron microscopy gave images of Rh atoms in pairs on the MgO. The supported rhodium dimers were probed with a pulse of CO, and the IR spectra indicate a Rh(II) species with weakly bonded carbonyl ligands; the sharpness of the v(CO) band indicates highly uniform surface species. Further treatment in CO led to breakup of the rhodium dimers into mononuclear species; such fragmentation took place in other treatment gases as well, with the degree of fragmentation decreasing in the order CO > C2H4 > helium. The fragmentation is inferred on the basis of IR spectra to have proceeded through intermediate Rh-2 species without acetate ligands. In contrast, rhodium dimers were reduced and not fragmented in the presence of H-2 at 353 K, but at higher temperatures the rhodium aggregated to give larger clusters. The supported species catalyzed ethylene hydrogenation at 298 K and 1 bar at a H-2:ethylene molar ratio of 4; after 27 h of catalysis in a once-through flow reactor, acetate ligands were removed from the dimers, and some of them fragmented, as shown by IR spectroscopy. The intermediate dirhodium species without acetate ligands are two or three orders of magnitude more active as catalysts than the supported mononuclear rhodium species or those present predominantly as Rh-2(OAc)(3), respectively. (C) 2016 Published by Elsevier Inc. C1 [Yang, Dong; Xu, Pinghong; Guan, Erjia; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci, 902 Battelle Blvd, Richland, WA 99352 USA. RP Gates, BC (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM bcgates@ucdavis.edu OI Browning, Nigel/0000-0003-0491-251X FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) [DE-FG02-04ER15513]; DOE [DE-AC05-76RL01830]; DOE's Office of Biological and Environmental Research; DOE Division of Materials Sciences FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Grant DE-FG02-04ER15513. A portion of this work was done as part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL) (under Contract DE-AC05-76RL01830), operated for DOE by Battelle. It was conducted under the Laboratory Directed Research and Development Program at PNNL. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. We acknowledge beam time at beamline 4-1 at the Stanford Synchrotron Radiation Lightsource supported by the DOE Division of Materials Sciences. We thank the beamline staff for valuable support. NR 59 TC 4 Z9 4 U1 14 U2 42 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD JUN PY 2016 VL 338 BP 12 EP 20 DI 10.1016/j.jcat.2016.02.023 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DM9OL UT WOS:000376695500002 ER PT J AU Berto, TF Sanwald, KE Eisenreich, W Gutierrez, OY Lercher, JA AF Berto, Tobias F. Sanwald, Kai E. Eisenreich, Wolfgang Gutierrez, Oliver Y. Lercher, Johannes A. TI Photoreforming of ethylene glycol over Rh/TiO2 and Rh/GaN:ZnO SO JOURNAL OF CATALYSIS LA English DT Article DE Photocatalysis; Photoreforming; H-2 production; Oxidation mechanisms ID VISIBLE-LIGHT IRRADIATION; HYDROGEN-PRODUCTION; PHOTOCATALYTIC ACTIVITY; AQUEOUS-SOLUTION; H-2 PRODUCTION; SACRIFICIAL REAGENTS; TIO2; WATER; MECHANISM; CATALYST AB Photoreforming of diols, such as ethylene glycol, proceeds through a sequence of anodic oxidations, which enable the parallel formation of H-2 by reduction of H* at the cathode. The anodic oxidation of ethylene glycol on Rh/TiO2 leads to glycolaldehyde, formaldehyde and acetaldehyde as primary products. Glycolaldehyde is further converted via oxidative C-C-cleavage to formaldehyde and formic acid. Formaldehyde is oxidized to formic acid forming CO2 and H-2. Acetaldehyde is oxidized to acetic acid, which decarboxylates to CO2 and CH4. Two catalytically active sites are proposed. On terminal Ti-IV-OH groups, oxygenates are oxidized via direct hole transfer to alkoxy-radicals prior to beta-C-C-bond cleavage. Bridged [Ti center dot center dot O-center dot center dot center dot Ti](+) sites, in contrast, cleave a C-H bond, forming carbon centered radicals, which are further oxidized by transferring an electron to the conduction band of the semiconductor. On Rh/GaN:ZnO, glycolaldehyde is the main product, forming higher oxidized C2-oxygenates in turn by reaction with free oxygen radicals formed as product of OH- photocatalytic oxidation. The overall rates of photoreforming and, hence, H-2 evolution, depend mainly on the surface concentration of the compounds which are oxidized, while the nature of the oxygenate is of less importance. (C) 2016 Elsevier Inc. All rights reserved. C1 [Berto, Tobias F.; Sanwald, Kai E.; Eisenreich, Wolfgang; Gutierrez, Oliver Y.; Lercher, Johannes A.] Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany. [Berto, Tobias F.; Sanwald, Kai E.; Eisenreich, Wolfgang; Gutierrez, Oliver Y.; Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85747 Garching, Germany. [Lercher, Johannes A.] Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999, Richland, WA 99352 USA. [Lercher, Johannes A.] Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA. RP Gutierrez, OY; Lercher, JA (reprint author), Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany.; Gutierrez, OY; Lercher, JA (reprint author), Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85747 Garching, Germany. EM oliver.gutierrez@mytum.de; Johannes.lercher@ch.tum.de OI Gutierrez Tinoco, Oliver/0000-0001-9163-4786 FU Federal Ministry of Education and Research (BMBF) [01RC1106A]; Fond der Chemischen Industrie (FCI) FX We would like to thank the Federal Ministry of Education and Research (BMBF) for financial support (project no. 01RC1106A). Additionally, we would like to thank Clariant for productive discussions within the framework of MuniCat and the iC4 PhotoCOO project. The authors would like to thank ESRF in Grenoble, France, for providing beam time at the BM25 station for XAFS experiments. K.E.S. gratefully acknowledges financial support by the Fond der Chemischen Industrie (FCI). The authors thank Kazuhiro Takanabe for fruitful discussions and scientific advice. We thank Xaver Hecht for technical support, Christine Schwarz for assistance during NMR experiments, and Miriam Wehrle for her contributions to the graphical abstract. NR 66 TC 1 Z9 1 U1 23 U2 40 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD JUN PY 2016 VL 338 BP 68 EP 81 DI 10.1016/j.jcat.2016.02.021 PG 14 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DM9OL UT WOS:000376695500008 ER PT J AU Johnson, GR Bell, AT AF Johnson, Gregory R. Bell, Alexis T. TI Effects of Lewis acidity of metal oxide promoters on the activity and selectivity of Co-based Fischer-Tropsch synthesis catalysts SO JOURNAL OF CATALYSIS LA English DT Article DE Fischer-Tropsch synthesis; Heterogeneous catalysis; Cobalt; Promotion; Lewis acidity ID RAY-ABSORPTION-SPECTROSCOPY; SUPPORTED COBALT CATALYSTS; MANGANESE OXIDE; CO/SIO2 CATALYSTS; CARBON-MONOXIDE; MN PROMOTION; STEM-EELS; SILICA; HYDROGENATION; PERFORMANCE AB Metal oxides of Ce, Gd, La, Mn, and Zr were investigated as promoters for improving the activity and selectivity of Co-based FTS catalysts. The extent to which these promoters decrease the selectivity toward CH4 and increase the selectivity toward C5+ hydrocarbons was found to depend on both the loading and the composition of the oxide promoter. Elemental mapping by STEM-EDS revealed that the propensity for a given metal oxide to associate with Co affects the sensitivity of the product distribution to changes in promoter loading. For all promoters, a sufficiently high loading resulted in the product distributions becoming insensitive to further increases in promoter loading, very likely due to the formation of a half monolayer of promoter oxide over the Co surface. Simulations suggest that the fraction of Co active sites that are adjacent to the promoter moieties approaches unity at this degree of coverage. The oxidation state of the promoter metal cation under reaction conditions, determined by in situ}CANES measurements, was used to calculate relative Lewis acidity of the promoter metal cation. A strong positive correlation was found between the C5+ product selectivity and the Lewis acidity of the promoter metal cations, suggesting that the promotional effects are a consequence of Lewis acid-base interactions between the reaction intermediates and the promoter metal cations. Rate data obtained at different pressures were used to estimate the apparent rate coefficient and the CO adsorption constant appearing in the Langmuir-Hinshelwood expression that describes the CO consumption kinetics for both unpromoted and the metal oxide-promoted catalysts. Both parameters exhibited positive correlations with the promoter Lewis acidity. These results are consistent with the hypothesis that the metal cations of the promoter act as Lewis acids that interact with the 0 atom of adsorbed CO to facilitate CO adsorption and dissociation. (C) 2016 Elsevier Inc. All rights reserved. C1 [Johnson, Gregory R.; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu RI BM, MRCAT/G-7576-2011; OI Bell, Alexis/0000-0002-5738-4645 FU Office of Science, Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; DOE Office of Science [DE-AC02-06CH11357]; Northwestern University; E.I. DuPont de Nemours Co.; Dow Chemical Company; Department of Energy; MRCAT member institutions FX The funding for this study was provided by the Director, Office of Science, Office of Basic Energy Sciences and by the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. 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. 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. Portions of this work were performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by Northwestern University, E.I. DuPont de Nemours & Co., and The Dow Chemical Company. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. We acknowledge assistance with the XAS measurements from Dr. Qing Ma, Dr. Konstantinos Goulas, Lin Louie, John Howell, Adam Grippo, and Julie Rorrer. NR 81 TC 2 Z9 2 U1 29 U2 61 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD JUN PY 2016 VL 338 BP 250 EP 264 DI 10.1016/j.jcat.2016.03.022 PG 15 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DM9OL UT WOS:000376695500026 ER PT J AU Oostrom, M Truex, MJ Last, GV Strickland, CE Tartakovsky, GD AF Oostrom, M. Truex, M. J. Last, G. V. Strickland, C. E. Tartakovsky, G. D. TI Evaluation of deep vadose zone contaminant flux into groundwater: Approach and case study SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Vadose zone; Numerical modeling; Contaminant transport ID HANFORD SITE; HYDRAULIC CONDUCTIVITY; SPATIAL VARIABILITY; TRANSPORT; IMPACT; FLOW; RECHARGE AB For sites with a contaminant source located in the vadose zone, the nature and extent of groundwater contaminant plumes are a function of the contaminant flux from the vadose zone to groundwater. Especially for thick vadose zones, transport may be relatively slow making it difficult to directly measure contaminant flux. An integrated assessment approach, supported by site characterization and monitoring data, is presented to explain current vadose zone contaminant distributions and to estimate future contaminant flux to groundwater in support of remediation decisions. The U.S. Department of Energy Hanford Site (WA, USA) SX Tank Farm was used as a case study because of a large existing contaminant inventory in its deep vadose zone, the presence of a limited-extent groundwater plume, and the relatively large amount of available data for the site. A predictive quantitative analysis was applied to refine a baseline conceptual model through the completion of a series of targeted simulations. The analysis revealed that site recharge is the most important flux-controlling process for future contaminant flux. Tank leak characteristics and subsurface heterogeneities appear to have a limited effect on long-term contaminant flux into groundwater. The occurrence of the current technetium-99 groundwater plume was explained by taking into account a considerable historical water-line leak adjacent to one of the tanks. The analysis further indicates that the vast majority of technetium-99 is expected to migrate into the groundwater during the next century. The approach provides a template for use in evaluating contaminant flux to groundwater using existing site data and has elements that are relevant to other disposal sites with a thick vadose zone. (C) 2016 Elsevier B.V. All rights reserved. C1 [Oostrom, M.; Truex, M. J.; Last, G. V.; Strickland, C. E.; Tartakovsky, G. D.] Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-96, Richland, WA 99354 USA. RP Oostrom, M (reprint author), Pacific NW Natl Lab, Div Energy & Environm, POB 999,MS K9-33, Richland, WA 99354 USA. FU Department of Energy (DOE) [DE-AC06-76RLO 1830]; DOE's Richland Operations Office FX Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC06-76RLO 1830. This effort was part of the Deep Vadose Zone-Applied Field Research Initiative at Pacific Northwest National Laboratory. Funding for this work was provided by the DOE's Richland Operations Office. NR 42 TC 0 Z9 0 U1 9 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 EI 1873-6009 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD JUN PY 2016 VL 189 BP 27 EP 43 DI 10.1016/j.jconhyd.2016.03.002 PG 17 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA DM9QJ UT WOS:000376700500003 PM 27107320 ER PT J AU Korinko, PS AF Korinko, Paul S. TI Zinc Vapor Trapping Using Copper-Based Materials SO JOURNAL OF FAILURE ANALYSIS AND PREVENTION LA English DT Article DE Zinc; Reactions; Vapor phase; Alloying AB As part of the development of a long range solution for zinc vapor capture, a series of experiments utilizing commercially available copper and bronze screen and bronze sheet materials were conducted. The testing used a high-vacuum system in which zinc was vaporized and condensed on the zinc getter material at various temperatures. A fixed zinc vaporization temperature was used and the zinc getter material, and consequently the condensation temperature, was varied. The testing revealed that zinc vapor was captured over a wider range of temperatures on bronze materials than on the copper screens. C1 [Korinko, Paul S.] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC USA. RP Korinko, PS (reprint author), Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC USA. EM paul.korinko@srnl.doe.gov NR 4 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1547-7029 EI 1864-1245 J9 J FAIL ANAL PREV JI J. Fail. Anal. Prev. PD JUN PY 2016 VL 16 IS 3 BP 400 EP 409 DI 10.1007/s11668-016-0101-6 PG 10 WC Engineering, Multidisciplinary SC Engineering GA DN4FL UT WOS:000377018800010 ER PT J AU Xi, YM Hartwig, JF AF Xi, Yumeng Hartwig, John F. TI Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TERTIARY BORONIC ESTERS; COMPLEXES; SECONDARY; BORYLATION; OLEFINS; ARENES; HYDROAMINATION; PINACOLBORANE; NUCLEOPHILES C1 [Hartwig, John F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Hartwig, JF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM jhartwig@berkeley.edu FU Office of Science, U.S. Department of Energy [DE-AC02-05CH11231]; Molecular Graphics and Computation Facility at UC Berkeley (NSF) [CHE-0840505] FX This work was supported by the Director, Office of Science, U.S. Department of Energy, under contract No. DE-AC02-05CH11231 and the Molecular Graphics and Computation Facility at UC Berkeley (NSF CHE-0840505). We gratefully acknowledge Dr. Antonio DiPasquale for X-ray crystallography (NIH S10-RR027172) and Takasago for (S)-DTBM-SEG-PHOS. Y.X. thanks Dr. Qian Li for advice on DFT calculations. NR 43 TC 12 Z9 12 U1 16 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUN 1 PY 2016 VL 138 IS 21 BP 6703 EP 6706 DI 10.1021/jacs.6b02478 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DN5ZW UT WOS:000377151400003 PM 27167490 ER PT J AU Transue, WJ Velian, A Nava, M Martin-Drumel, MA Womack, CC Jiang, J Hou, GL Wang, XB McCarthy, MC Field, RW Cummins, CC AF Transue, Wesley J. Velian, Alexandra Nava, Matthew Martin-Drumel, Marie-Aline Womack, Caroline C. Jiang, Jun Hou, Gao-Lei Wang, Xue-Bin McCarthy, Michael C. Field, Robert W. Cummins, Christopher C. TI A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID COORDINATED PHOSPHORUS-COMPOUNDS; MICROWAVE SPECTROSCOPY; THERMAL-DECOMPOSITION; WAVE SPECTROSCOPY; PHOSPHAALKYNES; CHEMISTRY; BOND; HCP; FRAGMENTATION; DERIVATIVES AB Dibenzo-7-phosphanorbornadiene Ph3PC-(H)PA (1, A = 14 C- H-10, anthracene) is reported here as a molecular precursor to phosphaethyne (HC P), produced together with anthracene and triphenylphosphine. HCP generated by thermolysis of 1 has been observed by molecular beam mass spectrometry, laser induced fluorescence, microwave spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy. In toluene, fragmentation of 1 has been found to proceed with activation parameters of Delta H-double dagger = 25.5 kcal/mol and Delta S-double dagger =-2.43 eu and is accompanied by formation of an orange insoluble precipitate. Results from computational studies of the mechanism of HCP generation are in good agreement with experimental data. This high-temperature method of HCP generation has pointed to new reaction chemistry with azide anion to produce the 1,2,3,4-phosphatriazolate anion, HCPN3-, for which structural data have been obtained in a single-crystal X-ray diffraction study. Negative-ion photoelectron spectroscopy has shown the adiabatic detachment energy for this anion to be 3.555(10) eV. The aromaticity of HCPN3- has been assessed using nucleus-independent chemical shift, quantum theory of atoms in molecules, and natural bond orbital methods. C1 [Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Womack, Caroline C.; Jiang, Jun; Field, Robert W.; Cummins, Christopher C.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Martin-Drumel, Marie-Aline; McCarthy, Michael C.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Hou, Gao-Lei; Wang, Xue-Bin] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Cummins, CC (reprint author), MIT, Dept Chem, Cambridge, MA 02139 USA. EM ccummins@mit.edu OI Cummins, Christopher/0000-0003-2568-3269; Martin-Drumel, Marie-Aline/0000-0002-5460-4294; /0000-0001-7445-5663 FU National Science Foundation [CHE-1362118]; Department of Energy [DE-FG0287ER13671]; NASA [NNX13AE59G]; CfA Postdoctoral Fellowship from the Smithsonian Astrophysical Observatory; DOE, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences FX This material is based on research supported by the National Science Foundation grant CHE-1362118, the Department of Energy grant DE-FG0287ER13671, and the NASA grant NNX13AE59G. M.A.M.-D. was supported by a CfA Postdoctoral Fellowship from the Smithsonian Astrophysical Observatory. The NIPES research at PNNL was supported by the DOE, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, and performed using the EMSL. We gratefully acknowledge Ioana Knopf and Peter Muller for useful discussions on crystallography and Maciej D. Korzynski for assistance in acquiring TGA data. NR 50 TC 2 Z9 2 U1 22 U2 43 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 JUN 1 PY 2016 VL 138 IS 21 BP 6731 EP 6734 DI 10.1021/jacs.6b03910 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DN5ZW UT WOS:000377151400010 PM 27171847 ER PT J AU Uphoff, H AF Uphoff, Heidi TI Fastpitch: The Untold History of Softball and the Women who Played the Game SO LIBRARY JOURNAL LA English DT Book Review C1 [Uphoff, Heidi] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Uphoff, H (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 1 TC 0 Z9 0 U1 1 U2 1 PU REED BUSINESS INFORMATION PI NEW YORK PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA SN 0363-0277 J9 LIBR J JI Libr. J. PD JUN 1 PY 2016 VL 141 IS 10 BP 99 EP 99 PG 1 WC Information Science & Library Science SC Information Science & Library Science GA DN7EG UT WOS:000377237500133 ER PT J AU Liu, Y Li, N Shao, S Gong, M Wang, J McCabe, RJ Jiang, Y Tome, CN AF Liu, Y. Li, N. Shao, S. Gong, M. Wang, J. McCabe, R. J. Jiang, Y. Tome, C. N. TI Characterizing the boundary lateral to the shear direction of deformation twins in magnesium SO NATURE COMMUNICATIONS LA English DT Article ID CLOSE-PACKED CRYSTALS; TWINNING PLANE; HCP METALS; MECHANISMS; INTERFACE; ALLOY; DISLOCATIONS; MARTENSITE; NUCLEATION; DEFECTS AB The three-dimensional nature of twins, especially the atomic structures and motion mechanisms of the boundary lateral to the shear direction of the twin, has never been characterized at the atomic level, because such boundary is, in principle, crystallographically unobservable. We thus refer to it here as the dark side of the twin. Here, using high-resolution transmission electron microscopy and atomistic simulations, we characterize the dark side of {10 (1) over bar2} deformation twins in magnesium. It is found that the dark side is serrated and comprised of {10 (1) over bar2} coherent twin boundaries and semi-coherent twist prismatic-prismatic {2 (1) over bar(1) over bar0} boundaries that control twin growth. The conclusions of this work apply to the same twin mode in other hexagonal close-packed materials, and the conceptual ideas discussed here should hold for all twin modes in crystalline materials. C1 [Liu, Y.; Shao, S.; McCabe, R. J.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Li, N.] Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. [Gong, M.; Wang, J.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68583 USA. [Jiang, Y.] Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. RP Wang, J (reprint author), Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68583 USA. EM jianwang@unl.edu; tome@lanl.gov RI Jiang, Yanyao/H-1816-2012; Wang, Jian/F-2669-2012; Liu, Yue/H-4071-2014; Shao, Shuai/B-2037-2014; Li, Nan /F-8459-2010; OI Jiang, Yanyao/0000-0002-1977-4669; Wang, Jian/0000-0001-5130-300X; Liu, Yue/0000-0001-8518-5734; Shao, Shuai/0000-0002-4718-2783; Li, Nan /0000-0002-8248-9027; McCabe, Rodney /0000-0002-6684-7410 FU Office of Basic Energy Sciences [FWP 06SCPE401]; US DOE [W-7405-ENG-36]; University of Nebraska, Lincoln [364175] FX All authors were fully supported by the Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE contract no. W-7405-ENG-36. Y.J. through invoice MEJ126FEIN #886000024, University of Nevada, Reno; M.G. through Contract #364175, University of Nebraska, Lincoln. Access to DOE-Center for Integrated Nanotechnologies (CINT) at Los Alamos and Sandia National Laboratories, and the microscopes at Electron Microscopy Lab at Los Alamos National Laboratories are also acknowledged. NR 36 TC 1 Z9 1 U1 23 U2 39 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11577 DI 10.1038/ncomms11577 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DN3NG UT WOS:000376968400001 PM 27249539 ER PT J AU Tan, GQ Wu, F Yuan, YF Chen, RJ Zhao, T Yao, Y Qian, J Liu, JR Ye, YS Shahbazian-Yassar, R Lu, J Amine, K AF Tan, Guoqiang Wu, Feng Yuan, Yifei Chen, Renjie Zhao, Teng Yao, Ying Qian, Ji Liu, Jianrui Ye, Yusheng Shahbazian-Yassar, Reza Lu, Jun Amine, Khalil TI Freestanding three-dimensional core-shell nanoarrays for lithium-ion battery anodes SO NATURE COMMUNICATIONS LA English DT Article ID ELECTRODE MATERIALS; NANOSTRUCTURED MATERIALS; CUO NANOSTRUCTURES; METAL-OXIDES; PERFORMANCE; NANOWIRES; CAPACITY; STORAGE; CONVERSION; DESIGN AB Structural degradation and low conductivity of transition-metal oxides lead to severe capacity fading in lithium-ion batteries. Recent efforts to solve this issue have mainly focused on using nanocomposites or hybrids by integrating nanosized metal oxides with conducting additives. Here we design specific hierarchical structures and demonstrate their use in flexible, large-area anode assemblies. Fabrication of these anodes is achieved via oxidative growth of copper oxide nanowires onto copper substrates followed by radio-frequency sputtering of carbon-nitride films, forming freestanding three-dimensional arrays with core-shell nano-architecture. Cable-like copper oxide/carbon-nitride core-shell nanostructures accommodate the volume change during lithiation - delithiation processes, the three-dimensional arrays provide abundant electroactive zones and electron/ion transport paths, and the monolithic sandwich-type configuration without additional binders or conductive agents improves energy/power densities of the whole electrode. C1 [Tan, Guoqiang; Wu, Feng; Chen, Renjie; Zhao, Teng; Yao, Ying; Qian, Ji; Liu, Jianrui; Ye, Yusheng] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. [Tan, Guoqiang; Yuan, Yifei; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. [Wu, Feng; Chen, Renjie; Yao, Ying] Collaborat Innovat Ctr Elect Vehicles Beijing, Beijing 100081, Peoples R China. [Yuan, Yifei; Shahbazian-Yassar, Reza] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. RP Wu, F; Chen, RJ (reprint author), Beijing Inst Technol, Sch Mat Sci & Engn, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China.; Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.; Wu, F; Chen, RJ (reprint author), Collaborat Innovat Ctr Elect Vehicles Beijing, Beijing 100081, Peoples R China. EM wufeng863@vip.sina.com; chenrj@bit.edu.cn; junlu@anl.gov RI Qian, Ji/C-3134-2017; OI Qian, Ji/0000-0001-5788-1302; Yusheng, Ye/0000-0001-9832-2478; Zhao, Teng/0000-0002-2398-2495 FU U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE); Major achievements Transformation Project for Central University in Beijing; National Basic Research Program of China [2015CB251100]; National Science Foundation of China [21373028]; National Science Foundation [NSF-DMR-1620901]; Argonne National Laboratory [4J-30361] FX This work was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). This work was also supported by Major achievements Transformation Project for Central University in Beijing, the National Basic Research Program of China (2015CB251100) and National Science Foundation of China (21373028). R.S.-Y. and Y.F.Y. acknowledge the funding support from National Science Foundation (NSF-DMR-1620901) for their efforts on in-situ TEM. Partial funding from Argonne National Laboratory for Y.F.Y. under subcontract No. 4J-30361 is also acknowledged. NR 48 TC 7 Z9 7 U1 109 U2 207 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2016 VL 7 AR 11774 DI 10.1038/ncomms11774 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DN7AC UT WOS:000377226700001 PM 27256920 ER PT J AU Li, Q Kharzeev, DE Zhang, C Huang, Y Pletikosic, I Fedorov, AV Zhong, RD Schneeloch, JA Gu, GD Valla, T AF Li, Qiang Kharzeev, Dmitri E. Zhang, Cheng Huang, Yuan Pletikosic, I. Fedorov, A. V. Zhong, R. D. Schneeloch, J. A. Gu, G. D. Valla, T. TI Chiral magnetic effect in ZrTe5 SO NATURE PHYSICS LA English DT Article ID FIELDS; MAGNETORESISTANCE AB current induced by chirality imbalance in the presence of a magnetic field. It is a macroscopic manifestation of the quantumanomaly(1,2) in relativistic field theory of chiral fermions (massless spin 1/2 particles with a definite projection of spin on momentum)-a remarkable phenomenon arising from a collective motion of particles and antiparticles in the Dirac sea. The recent discovery(3-6) of Dirac semimetals with chiral quasiparticles opens a fascinating possibility to study this phenomenon in condensed matter experiments. Here we report on the measurement of magnetotransport in zirconium pentatelluride, ZrTe5, that provides strong evidence for the chiral magnetic effect. Our angle-resolved photoemission spectroscopy experiments show that this material's electronic structure is consistent with a three-dimensional Dirac semimetal. We observe a large negative magnetoresistance when the magnetic field is parallel with the current. The measured quadratic field dependence of the magnetoconductance is a clear indication of the chiral magnetic effect. The observed phenomenon stems fromthe effective transmutation of a Dirac semimetal into a Weyl semimetal induced by parallel electric and magnetic fields that represent a topologically non-trivial gauge field background. We expect that the chiral magnetic effect may emerge in a wide class of materials that are near the transition between the trivial and topological insulators. C1 [Li, Qiang; Zhang, Cheng; Pletikosic, I.; Zhong, R. D.; Schneeloch, J. A.; Gu, G. D.; Valla, T.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Kharzeev, Dmitri E.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Huang, Yuan] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Pletikosic, I.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Fedorov, A. V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Li, Q; Valla, T (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Kharzeev, DE (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.; Kharzeev, DE (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM qiangli@bnl.gov; dmitri.kharzeev@stonybrook.edu; valla@bnl.gov RI Pletikosic, Ivo/A-5683-2010; Zhong, Ruidan/D-5296-2013; Zhang, Cheng/R-6593-2016 OI Pletikosic, Ivo/0000-0003-4697-8912; Zhong, Ruidan/0000-0003-1652-9454; Zhang, Cheng/0000-0001-6531-4703 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-FG-88ER40388]; Office of Nuclear Physics [DE-FG-88ER41723]; ARO MURI Program [W911NF-12-1-0461]; US DOE [DE-AC02-05CH11231] FX We thank J. Misewich, P. Johnson, A. Abanov and G. Monteiro for discussions. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, contracts No. DE-AC02-98CH10886, No. DE-FG-88ER40388, Office of Nuclear Physics, contract No. DE-FG-88ER41723 and ARO MURI Program, grant W911NF-12-1-0461. ALS is operated by the US DOE under Contract No. DE-AC02-05CH11231. NR 37 TC 73 Z9 73 U1 53 U2 119 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD JUN PY 2016 VL 12 IS 6 BP 550 EP + DI 10.1038/NPHYS3648 PG 6 WC Physics, Multidisciplinary SC Physics GA DO0NN UT WOS:000377475700012 ER PT J AU Ruiz, RFG Bissell, ML Blaum, K Ekstrom, A Frommgen, N Hagen, G Hammen, M Hebeler, K Holt, JD Jansen, GR Kowalska, M Kreim, K Nazarewicz, W Neugart, R Neyens, G Nortershauser, W Papenbrock, T Papuga, J Schwenk, A Simonis, J Wendt, KA Yordanov, DT AF Ruiz, R. F. Garcia Bissell, M. L. Blaum, K. Ekstrom, A. Froemmgen, N. Hagen, G. Hammen, M. Hebeler, K. Holt, J. D. Jansen, G. R. Kowalska, M. Kreim, K. Nazarewicz, W. Neugart, R. Neyens, G. Noertershaeuser, W. Papenbrock, T. Papuga, J. Schwenk, A. Simonis, J. Wendt, K. A. Yordanov, D. T. TI Unexpectedly large charge radii of neutron-rich calcium isotopes SO NATURE PHYSICS LA English DT Article ID LASER SPECTROSCOPY; NUCLEAR-FORCES; SHIFTS AB Despite being a complex many-body system, the atomic nucleus exhibits simple structures for certain 'magic' numbers of protons and neutrons. The calcium chain in particular is both unique and puzzling: evidence of doubly magic features are known in Ca-40,Ca-48, and recently suggested in two radioactive isotopes, Ca-52,Ca-54. Although many properties of experimentally known calcium isotopes have been successfully described by nuclear theory, it is still a challenge to predict the evolution of their charge radii. Here we present the first measurements of the charge radii of Ca-49,Ca-51,Ca-52, obtained from laser spectroscopy experiments at ISOLDE, CERN. The experimental results are complemented by state-of-the-art theoretical calculations. The large and unexpected increase of the size of the neutron-rich calcium isotopes beyond N = 28 challenges the doubly magic nature of Ca-52 and opens new intriguing questions on the evolution of nuclear sizes away from stability, which are of importance for our understanding of neutron-rich atomic nuclei. C1 [Ruiz, R. F. Garcia; Bissell, M. L.; Neyens, G.; Papuga, J.] Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Leuven, Belgium. [Bissell, M. L.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Blaum, K.; Kreim, K.; Neugart, R.; Schwenk, A.; Yordanov, D. T.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Ekstrom, A.; Hagen, G.; Jansen, G. R.; Nazarewicz, W.; Papenbrock, T.; Wendt, K. A.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Ekstrom, A.; Jansen, G. R.; Papenbrock, T.; Wendt, K. A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Froemmgen, N.; Hammen, M.; Neugart, R.; Noertershaeuser, W.] Johannes Gutenberg Univ Mainz, Inst Kernchem, D-55128 Mainz, Germany. [Hebeler, K.; Noertershaeuser, W.; Schwenk, A.; Simonis, J.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Hebeler, K.; Schwenk, A.; Simonis, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, D-64291 Darmstadt, Germany. [Holt, J. D.] TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. [Kowalska, M.] CERN, European Org Nucl Res, Dept Phys, CH-1211 Geneva 23, Switzerland. [Nazarewicz, W.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Nazarewicz, W.] Michigan State Univ, NSCL FRIB Lab, E Lansing, MI 48824 USA. [Nazarewicz, W.] Warsaw Univ, Fac Phys, Inst Theoret Phys, Pasteura 5, PL-02093 Warsaw, Poland. [Yordanov, D. T.] Univ Paris 11, IN2P3, CNRS, Inst Phys Nucl Orsay, F-91406 Orsay, France. RP Ruiz, RFG (reprint author), Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Leuven, Belgium. EM ronald.fernando.garcia.ruiz@cern.ch RI Nortershauser, Wilfried/A-6671-2013; Yordanov, Deyan/C-3187-2015; OI Nortershauser, Wilfried/0000-0001-7432-3687; Yordanov, Deyan/0000-0002-1592-7779; Jansen, Gustav R./0000-0003-3558-0968; Holt, Jason/0000-0003-4833-7959; GARCIA RUIZ, RONALD FERNANDO/0000-0002-2926-5569 FU IAP-project [P7/12]; FWO-Vlaanderen; GOA from KU Leuven [10/010, 15/010]; Max-Planck Society; ERC [307986]; BMBF [05P12RDCIC, 05P15RDCIA]; European Union through ENSAR [262010]; US Department of Energy, Office of Science, Office of Nuclear Physics [DEFG02-96ER40963, DE-SC0013365, DE-SC0008499, DE-SC0008511]; Oak Ridge National Laboratory (ORNL) [ERKBP57]; ORNL [DE-AC05-00OR22725] FX This work was supported by the IAP-project P7/12, the FWO-Vlaanderen, GOA grants 10/010 and 15/010 from KU Leuven, the Max-Planck Society, the ERC Grant No. 307986 STRONGINT, the BMBF contract 05P12RDCIC and 05P15RDCIA, the European Union seventh framework through ENSAR under Contract No. 262010, the US Department of Energy, Office of Science, Office of Nuclear Physics under Award Numbers DEFG02-96ER40963 (University of Tennessee), DE-SC0013365 (Michigan State University), DE-SC0008499 and DE-SC0008511 (NUCLEI SciDAC collaboration), the Field Work Proposal ERKBP57 at Oak Ridge National Laboratory (ORNL), and Contract No. DE-AC05-00OR22725 (ORNL). 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 at ORNL, and used computational resources of the National Center for Computational Sciences, the National Institute for Computational Sciences. We thank J. Menendez for very useful discussions. We would like to thank the ISOLDE technical group for their support and assistance. NR 48 TC 19 Z9 19 U1 6 U2 13 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD JUN PY 2016 VL 12 IS 6 BP 594 EP + DI 10.1038/NPHYS3645 PG 6 WC Physics, Multidisciplinary SC Physics GA DO0NN UT WOS:000377475700021 ER PT J AU Dechery, F Savajols, H Authier, M Drouart, A Nolen, J Ackermann, D Amthor, AM Bastin, B Berryhill, A Boutin, D Caceres, L Coffey, M Delferriere, O Dorvaux, O Gall, B Hauschild, K Hue, A Jacquot, B Karkour, N Laune, B Le Blanc, F Lecesne, N Lopez-Martens, A Lutton, F Manikonda, S Meinke, R Olivier, G Payet, J Piot, J Pochon, O Prince, V Souli, M Stelzer, G Stodel, C Stodel, MH Sulignano, B Traykov, E Uriot, D AF Dechery, F. Savajols, H. Authier, M. Drouart, A. Nolen, J. Ackermann, D. Amthor, A. M. Bastin, B. Berryhill, A. Boutin, D. Caceres, L. Coffey, M. Delferriere, O. Dorvaux, O. Gall, B. Hauschild, K. Hue, A. Jacquot, B. Karkour, N. Laune, B. Le Blanc, F. Lecesne, N. Lopez-Martens, A. Lutton, F. Manikonda, S. Meinke, R. Olivier, G. Payet, J. Piot, J. Pochon, O. Prince, V. Souli, M. Stelzer, G. Stodel, C. Stodel, M. -H. Sulignano, B. Traykov, E. Uriot, D. CA S3 SIRIUS LEB-REGLIS3 TI The Super Separator Spectrometer S-3 and the associated detection systems: SIRIUS & LEB-REGLIS3 SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE Separator; Spectrometer; Detector; Spectroscopy; SPIRAL2 AB The Super Separator Spectrometer (S-3) facility is developed in the framework of the SPIRAL2 project [1]. S3 has been designed to extend the capability of the facility to perform experiments with extremely low cross sections, taking advantage of the very high intensity stable beams of the superconducting linear accelerator of SPIRAL2. It will mainly use fusion-evaporation reactions to reach extreme regions of the nuclear chart: new opportunities will be opened for super-heavy element studies and spectroscopy at and beyond the driplines. In addition to our previous article (Dechery et al. [2]) introducing the optical layout of the spectrometer and the expected performances, this article will present the current status of the main elements of the facility: the target station, the superconducting multipole, and the magnetic and electric dipoles, with a special emphasis on the status of the detection system SIRIUS and on the low-energy branch which includes the REGLIS3 system. S-3 will also be a source of low energy radioactive isotopes for delivery to the DESIR facility. (C) 2016 Elsevier B.V. All rights reserved. C1 [Dechery, F.; Boutin, D.; Dorvaux, O.; Gall, B.; Le Blanc, F.; Traykov, E.] Univ Strasbourg, IPHC, F-67037 Strasbourg, France. [Dechery, F.; Boutin, D.; Dorvaux, O.; Gall, B.; Le Blanc, F.] CNRS, UMR7178, F-67037 Strasbourg, France. [Savajols, H.; Ackermann, D.; Bastin, B.; Caceres, L.; Jacquot, B.; Lecesne, N.; Lutton, F.; Piot, J.; Stelzer, G.; Stodel, M. -H.; Sulignano, B.] GANIL, F-14000 Caen, France. [Authier, M.; Drouart, A.; Delferriere, O.; Payet, J.; Sulignano, B.; Uriot, D.] CEA Saclay, Irfu, F-91191 Gif Sur Yvette, France. [Nolen, J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Berryhill, A.; Coffey, M.] Cryomagnetics Inc, Oak Ridge, TN 37830 USA. [Amthor, A. M.] Bucknell Univ, Lewisburg, PA 17837 USA. [Hauschild, K.; Karkour, N.; Lopez-Martens, A.] Univ Paris 11, CSNSM, CNRS, IN2P3, F-91406 Orsay, France. [Hue, A.; Laune, B.; Olivier, G.; Pochon, O.] Univ Paris 11, IPNO, CNRS, IN2P3, F-91406 Orsay, France. [Manikonda, S.; Meinke, R.; Prince, V.; Stelzer, G.] JAML Superconduct & Magnet, Palm Bay, FL 32905 USA. RP Dechery, F (reprint author), Univ Strasbourg, IPHC, F-67037 Strasbourg, France. NR 12 TC 0 Z9 0 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 125 EP 130 DI 10.1016/j.nimb.2016.02.036 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000026 ER PT J AU Berg, GPA Bardayan, DW Blackmon, JC Chipps, KA Couder, M Greife, U Hager, U Montes, F Rehm, KE Schatz, H Smith, MS Wiescher, M Wrede, C Zeller, A AF Berg, G. P. A. Bardayan, D. W. Blackmon, J. C. Chipps, K. A. Couder, M. Greife, U. Hager, U. Montes, F. Rehm, K. E. Schatz, H. Smith, M. S. Wiescher, M. Wrede, C. Zeller, A. TI A recoil separator for nuclear astrophysics SECAR SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE Recoils mass separator; Wien filter; Radiative alpha and p capture ID PERFORMANCE; FACILITY; DESIGN; TARGET AB A recoil separator SECAR has been designed to study radiative capture reactions relevant for the astrophysical rp-process in inverse kinematics for the Facility for Rare Isotope Beams (FRIB). We describe the design, layout, and ion optics of the recoil separator and present the status of the project. (C) 2016 Elsevier B.V. All rights reserved. C1 [Berg, G. P. A.; Bardayan, D. W.; Couder, M.; Wiescher, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Berg, G. P. A.] Univ Notre Dame, Joint Inst Nucl Astrophys, Notre Dame, IN 46556 USA. [Blackmon, J. C.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Chipps, K. A.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Greife, U.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Hager, U.; Montes, F.; Schatz, H.; Wrede, C.; Zeller, A.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Rehm, K. E.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Hager, U.; Schatz, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Berg, GPA (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. EM gpberg@bergs.com RI Couder, Manoel/B-1439-2009; Hager, Ulrike/O-1738-2016; OI Couder, Manoel/0000-0002-0636-744X; Chipps, Kelly/0000-0003-3050-1298 NR 10 TC 0 Z9 0 U1 3 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 165 EP 167 DI 10.1016/j.nimb.2016.02.009 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000034 ER PT J AU Gehring, AE Brodeur, M Bollen, G Morrissey, DJ Schwarz, S AF Gehring, A. E. Brodeur, M. Bollen, G. Morrissey, D. J. Schwarz, S. TI Research and development of ion surfing RF carpets for the cyclotron gas stopper at the NSCL SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE RF carpet; Ion transport; Beam thermalization of projectile fragments; Radioactive ion beam manipulation; Traveling wave transport ID RARE ISOTOPE BEAMS; TRANSPORT METHOD; PROJECTILE; FRAGMENTS AB A model device to transport thermal ions in the cyclotron gas stopper, a next-generation beam thermalization device under construction at the National Superconducting Cyclotron Laboratory, is presented. Radioactive ions produced by projectile fragmentation will come to rest at distances as large as 45 cm from the extraction orifice of the cyclotron gas stopper. The thermalized ions will be transported to the exit by RF carpets employing the recently developed "ion surfing" method. A quarter-circle prototype RF carpet was tested with potassium ions, and ion transport velocities as high as 60 m/s were observed over distances greater than 10 cm at a helium buffer gas pressure of 80 mbar. The transport of rubidium ions from an RF carpet to an electrode below was also demonstrated. The results of this study formed the basis of the design of the RF carpets" for use in the cyclotron gas stopper. (C) 2016 Elsevier B.V. All rights reserved. C1 [Gehring, A. E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. [Brodeur, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Bollen, G.; Morrissey, D. J.; Schwarz, S.] Michigan State Univ, Natl Superconducting Cyclotron Lab, 640 S Shaw Lane, E Lansing, MI 48824 USA. RP Gehring, AE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. NR 21 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 221 EP 224 DI 10.1016/j.nimb.2016.02.012 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000046 ER PT J AU Hirsh, TY Paul, N Burkey, M Aprahamian, A Buchinger, F Caldwell, S Clark, JA Levand, AF Ying, LL Marley, ST Morgan, GE Nystrom, A Orford, R Galvan, AP Rohrer, J Savard, G Sharma, KS Siegl, K AF Hirsh, Tsviki Y. Paul, Nancy Burkey, Mary Aprahamian, Ani Buchinger, Fritz Caldwell, Shane Clark, Jason A. Levand, Anthony F. Ying, Lin Ling Marley, Scott T. Morgan, Graeme E. Nystrom, Andrew Orford, Rodney Galvan, Adrian Perez Rohrer, John Savard, Guy Sharma, Kumar S. Siegl, Kevin TI First operation and mass separation with the CARIBU MR-TOF SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE MR-TOF; Time-of-flight; Mass-separator ID REFLECTION; TRAP AB The recent installation of a Multi-Reflection Time-of-Flight (MR-TOF) isobar separator at the CARIBU facility has the promising potential to significantly improve the mass separation and selection of short-lived neutron-rich beams. Ions cycled in the km-long isochronous trajectories between two electrostatic mirrors can be separated to high levels of mass-resolving power within a short time (tens of ms). The installation process is described and results from the first operation are discussed. Following an optimization of the mirror voltages a mass-resolving power of 6.8 . 10(4) was achieved and a separation of isobars was demonstrated. The higher purity beams provided by the MR-TOF and delivered to the Canadian Penning Trap (CPT) will provide access to further measurements of neutron-rich nuclei along the astro-physical r-process path. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hirsh, Tsviki Y.; Morgan, Graeme E.; Galvan, Adrian Perez; Sharma, Kumar S.] Univ Manitoba, Dept Phys & Astron, Winnipeg, MB R3T 2N2, Canada. [Hirsh, Tsviki Y.; Paul, Nancy; Burkey, Mary; Caldwell, Shane; Clark, Jason A.; Levand, Anthony F.; Ying, Lin Ling; Morgan, Graeme E.; Nystrom, Andrew; Orford, Rodney; Galvan, Adrian Perez; Rohrer, John; Savard, Guy; Siegl, Kevin] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Paul, Nancy; Aprahamian, Ani; Marley, Scott T.; Nystrom, Andrew; Siegl, Kevin] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Burkey, Mary; Caldwell, Shane; Savard, Guy] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Buchinger, Fritz; Orford, Rodney] McGill Univ, Dept Phys, 3600 Univ St, Montreal, PQ H3A 2T8, Canada. RP Hirsh, TY (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. NR 16 TC 3 Z9 3 U1 6 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 229 EP 232 DI 10.1016/j.nimb.2015.12.037 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000048 ER PT J AU Savard, G Levand, AF Zabransky, BJ AF Savard, G. Levand, A. F. Zabransky, B. J. TI The CARIBU gas catcher SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE Radioactive beam; Gas catcher; Californium fission ID GAMMASPHERE AB The CARIBU upgrade of the ATLAS facility provides radioactive beams of neutron-rich isotopes for experiments at low and Coulomb barrier energies. It creates these beam using a large RF gas catcher that collects and cools fission fragments from an intense Cf-252 fission source and transforms them into a low-emittance monoenergetic beam. This beam can then be purified, reaccelerated and delivered to experiments. This technique is fast and universal, providing access to all fission fragment species independently of their chemical properties. The CARIBU gas catcher has been built to operate at high ionization density and in the presence of the contamination from the source. A brief overview of the CARIBU concept is given below, together with a more detailed description of the CARIBU gas catcher and the performance it has now achieved. Published by Elsevier B.V. C1 [Savard, G.; Levand, A. F.; Zabransky, B. J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Savard, G.] Univ Chicago, Chicago, IL 60637 USA. RP Savard, G (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 246 EP 250 DI 10.1016/j.nimb.2016.02.050 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000051 ER PT J AU Bardayan, DW Chipps, KA Ahn, S Blackmon, JC Browne, J Greife, U Jones, KL Kontos, A Kozub, RL Linhardt, L Manning, B Matos, M O'Malley, PD Montes, F Ota, S Pain, SD Peters, WA Pittman, ST Sachs, A Schatz, H Schmitt, KT Smith, MS Thompson, P AF Bardayan, D. W. Chipps, K. A. Ahn, S. Blackmon, J. C. Browne, J. Greife, U. Jones, K. L. Kontos, A. Kozub, R. L. Linhardt, L. Manning, B. Matos, M. O'Malley, P. D. Montes, F. Ota, S. Pain, S. D. Peters, W. A. Pittman, S. T. Sachs, A. Schatz, H. Schmitt, K. T. Smith, M. S. Thompson, P. TI The new JENSA gas-jet target for astrophysical radioactive beam experiments SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE Nucleosynthesis; Target; Radioactive; Gas-jet AB To take full advantage of advanced exotic beam facilities, target technology must also be advanced. Particularly important to the study of astrophysical reaction rates is the creation of localized and dense targets of hydrogen and helium. The Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas-jet target has been constructed for this purpose. JENSA was constructed at Oak Ridge National Laboratory (ORNL) where it was tested and characterized, and has now moved to the ReA3 reaccelerated beam hall at the National Superconducting Cyclotron Laboratory (NSCL) at Michigan State University for use with radioactive beams. (C) 2015 Elsevier B.V. All rights reserved. C1 [Bardayan, D. W.; O'Malley, P. D.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Chipps, K. A.; Matos, M.; Pain, S. D.; Peters, W. A.; Pittman, S. T.; Schmitt, K. T.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Chipps, K. A.; Ahn, S.; Jones, K. L.; Matos, M.; Peters, W. A.; Pittman, S. T.; Sachs, A.; Schmitt, K. T.; Thompson, P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Chipps, K. A.; Greife, U.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Ahn, S.; Browne, J.; Kontos, A.; Montes, F.; Schatz, H.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Blackmon, J. C.; Linhardt, L.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Manning, B.; Ota, S.] Rutgers State Univ, Dept Phys & Astron, POB 849, Piscataway, NJ 08854 USA. [Schatz, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Bardayan, DW (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RI Jones, Katherine/B-8487-2011; Peters, William/B-3214-2012; OI Jones, Katherine/0000-0001-7335-1379; Peters, William/0000-0002-3022-4924; Chipps, Kelly/0000-0003-3050-1298 NR 6 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 326 EP 328 DI 10.1016/j.nimb.2015.11.042 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000068 ER PT J AU Guadilla, V Algora, A Tain, JL Agramunt, J Aysto, J Briz, JA Cano-Ott, D Cucoanes, A Eronen, T Estienne, M Fallot, M Fraile, LM Ganioglu, E Gelletly, W Gorelov, D Hakala, J Jokinen, A Jordan, D Kankainen, A Kolhinen, V Koponen, J Lebois, M Martinez, T Monserrate, M Montaner-Piza, A Moore, I Nacher, E Orrigo, S Penttila, H Podolyak, Z Pohjalainen, I Porta, A Regan, P Reinikainen, J Reponen, M Rinta-Antila, S Rubio, B Rytkonen, K Shiba, T Sonnenschein, V Sonzogni, AA Valencia, E Vedia, V Voss, A Wilson, JN Zakari-Issoufou, AA AF Guadilla, V. Algora, A. Tain, J. L. Agramunt, J. Aysto, J. Briz, J. A. Cano-Ott, D. Cucoanes, A. Eronen, T. Estienne, M. Fallot, M. Fraile, L. M. Ganioglu, E. Gelletly, W. Gorelov, D. Hakala, J. Jokinen, A. Jordan, D. Kankainen, A. Kolhinen, V. Koponen, J. Lebois, M. Martinez, T. Monserrate, M. Montaner-Piza, A. Moore, I. Nacher, E. Orrigo, S. Penttila, H. Podolyak, Zs. Pohjalainen, I. Porta, A. Regan, P. Reinikainen, J. Reponen, M. Rinta-Antila, S. Rubio, B. Rytkonen, K. Shiba, T. Sonnenschein, V. Sonzogni, A. A. Valencia, E. Vedia, V. Voss, A. Wilson, J. N. Zakari-Issoufou, A-A. TI First experiment with the NUSTAR/FAIR Decay Total Absorption gamma-Ray Spectrometer (DTAS) at the IGISOL IV facility SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE beta decay; Total Absorption gamma-Ray Spectrometer; Exotic nuclei; ISOL facilities; beta-Delayed neutron emitters ID MONTE-CARLO-SIMULATION; BETA-DECAY; SPECTROSCOPY; NEUTRONS; SPECTRA; DESPEC; I-137; FAIR AB The new Decay Total Absorption Spectrometer (DTAS) has been commissioned with low energy radioactive beams at the upgraded IGISOL IV facility. The DTAS is a segmented detector composed of up to 18 NaI (Tl) crystals and it will be a key instrument in the DESPEC experiment at FAIR. In this document we report on the experimental setup and the first measurements performed with DTAS at IGISOL. The detector was characterized by means of MC simulations, and this allowed us to calculate the response function of the spectrometer and analyse the first cases of interest. (C) 2015 Elsevier B.V. All rights reserved. C1 [Guadilla, V.; Algora, A.; Tain, J. L.; Agramunt, J.; Jordan, D.; Monserrate, M.; Montaner-Piza, A.; Orrigo, S.; Rubio, B.; Valencia, E.] Univ Valencia, CSIC, Intituto Fis Corpuscular, E-46071 Valencia, Spain. [Algora, A.] Hungarian Acad Sci, Inst Nucl Res, H-4026 Debrecen, Hungary. [Aysto, J.; Eronen, T.; Gorelov, D.; Hakala, J.; Jokinen, A.; Kankainen, A.; Kolhinen, V.; Koponen, J.; Moore, I.; Penttila, H.; Pohjalainen, I.; Reinikainen, J.; Reponen, M.; Rinta-Antila, S.; Rytkonen, K.; Sonnenschein, V.; Voss, A.] Univ Jyvaskyla, FIN-40014 Jyvaskyla, Finland. [Briz, J. A.; Cucoanes, A.; Estienne, M.; Fallot, M.; Porta, A.; Shiba, T.; Zakari-Issoufou, A-A.] EMN, Subatech, CNRS, IN2P3, F-44307 Nantes, France. [Cano-Ott, D.; Martinez, T.] Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. [Fraile, L. M.; Vedia, V.] Univ Complutense, Grp Fis Nucl, CEI Moncloa, E-28040 Madrid, Spain. [Ganioglu, E.] Istanbul Univ, Dept Phys, TR-34134 Istanbul, Turkey. [Gelletly, W.; Podolyak, Zs.; Regan, P.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Lebois, M.; Wilson, J. N.] Inst Phys Nucl, BP 1, F-91406 Orsay, France. [Nacher, E.] CSIC, Inst Estruct Mat, Serrano 119, E-28006 Madrid, Spain. [Sonzogni, A. A.] Brookhaven Natl Lab, NNDC, Upton, NY 11973 USA. RP Guadilla, V (reprint author), Univ Valencia, CSIC, Intituto Fis Corpuscular, E-46071 Valencia, Spain. EM victor.guadilla@ific.uv.es RI Kankainen, Anu/K-3448-2014; Moore, Iain/D-7255-2014; Jokinen, Ari/C-2477-2017; Fraile, Luis/B-8668-2011; Martinez, Trinitario/K-6785-2014 OI Kankainen, Anu/0000-0003-1082-7602; Moore, Iain/0000-0003-0934-8727; Jokinen, Ari/0000-0002-0451-125X; Fraile, Luis/0000-0002-6281-3635; Martinez, Trinitario/0000-0002-0683-5506 NR 21 TC 2 Z9 2 U1 7 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 334 EP 337 DI 10.1016/j.nimb.2015.12.018 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000070 ER PT J AU Shornikov, A Mertzig, R Breitenfeldt, M Lombardi, A Wenander, F Pikin, A AF Shornikov, Andrey Mertzig, Robert Breitenfeldt, Martin Lombardi, Alessandra Wenander, Fredrik Pikin, Alexander TI Parametric study of a high current-density EBIS Charge Breeder regarding Two Stream plasma Instability (TSI) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Electromagnetic Isotope Separators and Related Topics (EMIS2015) CY MAY 11-15, 2015 CL Michigan State Univ, Grand Rapids, MI HO Michigan State Univ DE EBIS; Charge breeding; RIB; Highly charged ions ID BEAM ION-SOURCE AB In this paper we report on our results from the design study of an advanced Electron Beam Ion Source (EBIS) based Charge Breeder (ECB). The ECB should fulfill the requirements of the HIE-ISOLDE upgrade, and if possible be adapted for ion injection into TSR@ISOLDE, as well as serve as an early prototype of a future EURISOL ECB. Fulfilling the HIE-ISOLDE/TSR@ISOLDE specifications requires simultaneous increase in electron beam energy, current and current density in order to provide the requested beams with proper charge state, high intensity and with a specified pulse repetition rate. We have carried out a study on the technical requirements of the ECB. The obtained parameters were optimized to comply with technical limitations arising from the electron beam technology and plasma physics in an ECB. (C) 2015 Elsevier B.V. All rights reserved. C1 [Shornikov, Andrey; Mertzig, Robert; Breitenfeldt, Martin; Lombardi, Alessandra; Wenander, Fredrik] CERN, AB Dept, CH-1211 Geneva 23, Switzerland. [Pikin, Alexander] BNL, Upton, NY USA. RP Shornikov, A (reprint author), CERN, AB Dept, CH-1211 Geneva 23, Switzerland. EM andrey.shomikov@cern.ch NR 14 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2016 VL 376 BP 361 EP 363 DI 10.1016/j.nimb.2015.12.008 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN1MV UT WOS:000376831000076 ER PT J AU Aad, G Abbott, B Abdallah, J Abdinov, O Aben, R Abolins, M AbouZeid, OS Abramowicz, H Abreu, H Abreu, R Abulaiti, Y Acharya, BS Adamczyk, L Adams, DL Adelman, J Adomeit, S Adye, T Affolder, AA Agatonovic-Jovin, T Aguilar-Saavedra, JA Ahlen, SP Ahmadov, F Aielli, G Akerstedt, H Akesson, TPA Akimoto, G Akimov, AV Alberghi, GL Albert, J Albrand, S Verzini, MJA Aleksa, M Aleksandrov, IN Alexa, C Alexander, G Alexopoulos, T Alhroob, M Alimonti, G Alio, L Alison, J Alkire, SP Allbrooke, BMM Allport, PP Aloisio, A Alonso, A Alonso, F Alpigiani, C Altheimer, A Gonzalez, BA Piqueras, DA Alviggi, MG Amadio, BT Amako, K Coutinho, YA Amelung, C Amidei, D Dos Santos, SPA Amorim, A Amoroso, S Amram, N Amundsen, G Anastopoulos, C Ancu, LS Andari, N Andeen, T Anders, CF Anders, G Anders, JK Anderson, KJ Andreazza, A Andrei, V Angelidakis, S Angelozzi, I Anger, P Angerami, A Anghinolfi, F Anisenkov, AV Anjos, N Annovi, A Antonelli, M Antonov, A Antos, J Anulli, F Aoki, M Bella, LA Arabidze, G Arai, Y Araque, JP Arce, ATH Arduh, FA Arguin, JF Argyropoulos, S Arik, M Armbruster, AJ Arnaez, O Arnal, V Arnold, H Arratia, M Arslan, O Artamonov, A Artoni, G Asai, S Asbah, N Ashkenazi, A Asman, B Asquith, L Assamagan, K Astalos, R Atkinson, M Atlay, NB Auerbach, B Augsten, K Aurousseau, M Avolio, G Axen, B Ayoub, MK Azuelos, G Baak, MA Baas, AE Bacci, C Bachacou, H Bachas, K Backes, M Backhaus, M Bagiacchi, P Bagnaia, P Bai, Y Bain, T Baines, JT Baker, OK Balek, P Balestri, T Balli, F Banas, E Banerjee, S Bannoura, AAE Bansil, HS Barak, L Barberio, EL Barberis, D Barber, M Barillari, T Barisonzi, M Barklow, T Barlow, N Barnes, SL Barnett, BM Barnett, RM Barnovska, Z Baroncelli, A Barone, G Barr, AJ Barreiro, F da Costa, JBG Bartoldus, R Barton, AE Bartos, P Basalaev, A Bassalat, A Basye, A Bates, RL Batista, SJ Batley, JR Battaglia, M Bauce, M Bauer, F Bawa, HS Beacham, JB Beattie, MD Beau, T Beauchemin, PH Beccherle, R Bechtle, P Beck, HP Becker, K Becker, M Becker, S Beckingham, M Becot, C Beddall, AJ Beddall, A Bednyakov, VA Bee, CP Beemster, LJ Beermann, TA Begel, M Behr, JK Belanger-Champagne, C Bell, WH Bella, G Bellagamba, L Bellerive, A Bellomo, M Belotskiy, K Beltramello, O Benary, O Benchekroun, D Bender, M Bendtz, K Benekos, N Benhammou, Y Noccioli, EB Garcia, JAB Benjamin, DP Bensinger, JR Bentvelsen, S Beresford, L Beretta, M Berge, D Kuutmann, EB Berger, N Berghaus, F Beringer, J Bernard, C Bernard, NR Bernius, C Bernlochner, FU Berry, T Berta, P Bertella, C Bertoli, G Bertolucci, F Bertsche, C Bertsche, D Besana, MI Besjes, GJ Bylund, OB Bessner, M Besson, N Betancourt, C Bethke, S Bevan, AJ Bhimji, W Bianchi, RM Bianchini, L Bianco, M Biebel, O Biedermann, D Bieniek, SP Biglietti, M De Mendizabal, JB Bilokon, H Bindi, M Binet, S Bingul, A Bini, C Black, CW Black, JE Black, KM Blackburn, D Blair, RE Blanchard, JB Blanco, JE Blazek, T Bloch, I Blocker, C Blum, W Blumenschein, U Bobbink, GJ Bobrovnikov, VS Bocchetta, SS Bocci, A Bock, C Boehler, M Bogaerts, JA Bogavac, D Bogdanchikov, AG Bohm, C Boisvert, V Bold, T Boldea, V Boldyrev, AS Bomben, M Bona, M Boonekamp, M Borisov, A Borissov, G Borroni, S Bortfeldt, J Bortolotto, V Bos, K Boscherini, D Bosman, M Boudreau, J Bouffard, J Bouhova-Thacker, EV Boumediene, D Bourdarios, C Bousson, N Boveia, A Boyd, J Boyko, IR Bozic, I Bracinik, J Brandt, A Brandt, G Brandt, O Bratzler, U Bran, B Brau, JE Braun, HM Brazzale, SF Madden, WDB Brendlinger, K Brennan, AJ Brenner, L Brenner, R Bressler, S Bristow, K Bristow, TM Britton, D Britzger, D Brochu, FM Brock, I Brock, R Bronner, J Brooijmans, G Brooks, T Brooks, WK Brosamer, J Brost, E Brown, J de Renstrom, PAB Bruncko, D Bruneliere, R Bruni, A Bruni, G Bruschi, M Bruscino, N Bryngemark, L Buanes, T Buat, Q Buchholz, P Buckley, AG Buda, SI Budagov, IA Buehrer, F Bugge, L Bugge, MK Bulekov, O Bullock, D Burckhart, H Burdin, S Burghgrave, B Burke, S Burmeister, I Busato, E Buscher, D Buscher, V Bussey, P Butler, JM Butt, AI Buttar, CM Butterworth, JM Butti, P Buttinger, W Buzatu, A Buzykaev, AR Urban, SC Caforio, D Cairo, VM Cakir, O Calafiura, P Calandri, A Calderini, G Calfayan, P Caloba, LP Calvet, D Calvet, S Toro, RC Camarda, S Camarri, P Cameron, D Caminada, LM Armadans, RC Campana, S Campanelli, M Campoverde, A Canale, V Canepa, A Bret, MC Cantero, J Cantrill, R Cao, T Garrido, MDMC Caprini, I Caprivi, M Capua, M Caputo, R Cardarelli, R Cardillo, F Carli, T Carlino, G Carminati, L Caron, A Carquin, E Carrillo-Montoya, GD Carter, JR Carvalho, J Casadei, D Casado, MP Casolino, M Castaneda-Miranda, E Castelli, A Gimenez, VC Castro, NF Catastini, P Catinaccio, A Catmore, JR Cattai, A Caudron, J Cavaliere, V Cavalli, D Cavalli-Sforza, M Cavasinni, V Ceradini, F Cerio, BC Cerny, K Cerqueira, AS Cerri, A Cerrito, L Cerutti, F Cery, M Cervelli, A Cetin, SA Chafaq, A Chakraborty, D Chalupkova, I Chang, P Chapleau, B Chapman, JD Charlton, DG Chau, CC Barajas, CAC Cheatham, S Chegwidden, A Chekanov, S Chekulaev, SV Chelkov, GA Chelstowska, MA Chen, C Chen, H Chen, K Chen, L Chen, S Chen, X Chen, Y Cheng, HC Cheng, Y Cheplakov, A Cheremushkina, E El Moursli, RC Chernyatin, V Cheu, E Chevalier, L Chiarella, V Childers, JT Chiodini, G Chisholm, AS Chislett, RT Chitan, A Chizhov, MV Choi, K Chouridou, S Chow, BKB Christodoulou, V Chromek-Burckhart, D Chudoba, J Chuinard, AJ Chwastowski, JJ Chytka, L Ciapetti, G Ciftci, AK Cinca, D Cindro, V Cioara, IA Ciocio, A Citron, ZH Ciubancan, M Clark, A Clark, BL Clark, PJ Clarke, RN Cleland, W Clement, C Coadou, Y Cobal, M Coccaro, A Cochran, J Coffey, L Cogan, JG Cole, B Cole, S Colijn, AP Collot, J Colombo, T Compostella, G Muino, PC Coniavitis, E Connell, SH Connelly, IA Consonni, SM Consorti, V Constantinescu, S Conta, C Conti, G Conventi, F Cooke, M Cooper, BD Cooper-Sarkar, AM Cornelissen, T Corradi, M Corriveau, F Corso-Radu, A Cortes-Gonzalez, A Cortiana, G Costa, G Costa, MJ Costanzo, D Cote, D Cottin, G Cowan, G Cox, BE Cranmer, K Cree, G Crepe-Renaudin, S Crescioli, F Cribbs, WA Ortuzar, MC Cristinziani, M Croft, V Crosetti, G Donszelmann, TC Cummings, J Curatolo, M Cuthbert, C Czirr, H Czodrowski, P D'Auria, S D'Onofrio, M De Sousa, MJDS Da Via, C Dabrowski, W Dafinca, A Dai, T Dale, O Dallaire, F Dallapiccola, C Dam, M Dandoy, JR Dang, NP Daniells, AC Danninger, M Hoffmann, MD Dao, V Darbo, G Darmora, S Dassoulas, J Dattagupta, A Davey, W David, C Davidek, T Davies, E Davies, M Davison, P Davygora, Y Dawe, E Dawson, I Daya-Ishmukhametova, RK De, K De Asmundis, R De Castro, S De Cecco, S De Groot, N de Jong, P De la Torre, H De Lorenzi, F De Nooij, L De Pedis, D De Salvo, A De Sanctis, U De Santo, A De Regie, JBDV Dearnaley, WJ Debbe, R Debenedetti, C Dedovich, DV Deigaard, I Del Peso, J Del Prete, T Delgove, D Deliot, F Delitzsch, CM Deliyergiyev, M Dell'Acqua, A Dell'Asta, L Orso, MD Della Pietra, M della Volpe, D Delmastro, M Delsart, PA Deluca, C DeMarco, DA Demers, S Demichev, M Demilly, A Denisov, SP Derendarz, D Derkaoui, IE Derue, F Dervan, P Desch, K Deterre, C Deviveiros, PO Dewhurst, A Dhaliwal, S Di Ciaccio, A Di Ciaccio, L Di Domenico, A Di Donato, C Di Girolamo, A Di Girolamo, B Di Mattia, A Di Micco, B Di Nardo, R Di Simone, A Di Sipio, R Di Valentino, D Diaconu, C Diamond, M Dias, FA Diaz, MA Diehl, EB Dietrich, J Diglio, S Dimitrievska, A Dingfelder, J Dita, P Dita, S Dittus, F Djama, F Djobava, T Djuvsland, JI do Vale, MAB Dobos, D Dobre, M Doglioni, C Dohmae, T Dolejsi, J Dolezal, Z Dolgoshein, BA Donadelli, M Donati, S Dondero, P Donini, J Dopke, J Doria, A Dova, MT Doyle, AT Drechsler, E Dris, M Dubreuil, E Duchovni, E Duckeck, G Ducu, OA Duda, D Dudarev, A Duflot, L Duguid, L Duhrssen, M 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Fincke-Keeler, M Finelli, KD Fiolhais, MCN Fiorini, L Firan, A Fischer, A Fischer, C Fischer, J Fisher, WC Fitzgerald, EA Fleck, I Fleischmann, P Fleischmann, S Fletcher, GT Fletcher, G Fletcher, RRM Flick, T Floderus, A Castillo, LRF Flowerdew, MJ Formica, A Forti, A Fournier, D Fox, H Fracchia, S Francavilla, P Franchini, M Francis, D Franconi, L Franklin, M Frate, M Fraternali, M Freeborn, D French, ST Friedrich, F Froidevaux, D Frost, JA Fukunaga, C Torregrosa, EF Fulsom, BG Fuster, J Gabaldon, C Gabizon, O Gabrielli, A Gabrielli, A Gadatsch, S Gadomski, S Gagliardi, G Gagnon, P Gaiea, C Galhardo, B Gallas, EJ Gallop, BJ Gallus, P Galster, G Gan, KK Gao, J Gao, Y Gao, YS Walls, FMG Garberson, F Garcia, C Navarro, JEG Garcia-Sciveres, M Gardner, RW Garelli, N Garonne, V Gatti, C Gaudiello, A Gaudio, G Gaur, B Gauthier, L Gauzzi, P Gavrilenko, IL Gay, C Gaycken, G Gazis, EN Ge, P Gecse, Z Gee, CNP Geerts, DAA Geich-Gimbel, C Geisler, MP Gemme, C Genest, MH Gentile, S George, M 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Wolter, M. W. Wolters, H. Wosiek, B. K. Wotschack, J. Woudstra, M. J. Wozniak, K. W. Wu, M. Wu, M. Wu, S. L. Wu, X. Wu, Y. Wyatt, T. R. Wynne, B. M. Xella, S. Xu, D. Xu, L. Yabsley, B. Yacoob, S. Yakabe, R. Yamada, M. Yamaguchi, Y. Yamamoto, A. Yamamoto, S. Yamanaka, T. Yamauchi, K. Yamazaki, Y. Yan, Z. Yang, H. Yang, H. Yang, Y. Yao, W-M. Yasu, Y. Yatsenko, E. Wong, K. H. Yau Ye, J. Ye, S. Yeletskikh, I. Yen, A. L. Yildirim, E. Yorita, K. Yoshida, R. Yoshihara, K. Young, C. Young, C. J. S. Youssef, S. Yu, D. R. Yu, J. Yu, J. M. Yu, J. Yuan, L. Yurkewicz, A. Yusuff, I. Zabinski, B. Zaidan, R. Zaitsev, A. M. Zalieckas, J. Zaman, A. Zambito, S. Zanello, L. Zanzi, D. Zeitnitz, C. Zeman, M. Zemla, A. Zengel, K. Zenin, O. Zenis, T. Zerwas, D. Zhang, D. Zhang, F. Zhang, H. Zhang, J. Zhang, L. Zhang, R. Zhang, X. Zhang, Z. Zhao, X. Zhao, Y. Zhao, Z. Zhemchugov, A. Zhong, J. Zhou, B. Zhou, C. Zhou, L. Zhou, L. Zhou, N. Zhu, C. G. Zhu, H. Zhu, J. Zhu, Y. Zhuang, X. Zhukov, K. Zibell, A. Zieminska, D. Zimine, N. I. Zimmermann, C. Zimmermann, S. Zinonos, Z. Zinser, M. Ziolkowski, M. Zivkovic, L. Zobernig, G. Zoccoli, A. Nedden, M. zur Zurzolo, G. Zwalinski, L. CA ATLAS Collaboration TI Measurement of D-*+/-, D-+/- and D-S(+/-) meson production cross sections in pp collisions at root s=7 TeV with the ATLAS detector SO NUCLEAR PHYSICS B LA English DT Article ID QUARK FRAGMENTATION FUNCTION; DEEP-INELASTIC SCATTERING; HADRON-PRODUCTION; E(+)E(-) COLLISIONS; JET FRAGMENTATION; HERA; ANNIHILATION; CHARM; MODEL; FRACTIONS AB The production of D*(+/-), D-+/- and D-S(+/-) charmed mesons has been measured with the ATLAS detector in pp collisions at,/7s = 7 TeV at the LHC, using data corresponding to an integrated luminosity of 280 nb(-)1(.) The charmed mesons have been reconstructed in the range of transverse momentum 3.5 < p(T)(D) < 100 GeV and pseudorapidity vertical bar eta(D)vertical bar < 2.1. The differential cross sections as a function of transverse momentum and pseudorapidity were measured for D*(+/-) and D-+/- production. The next-to-leading-order QCD predictions are consistent with the data in the visible kinematic region within the large theoretical uncertainties. Using the visible D cross sections and an extrapolation to the full kinematic phase space, the strangeness -suppression factor in charm fragmentation, the fraction of charged non -strange D mesons produced in a vector state, and the total cross section of charm production at root s = 7 TeV were derived. (C) 2016 The Authors. Published by Elsevier B.V. C1 [Jackson, P.; Lee, L.; Soni, N.; White, M. J.] Univ Adelaide, Dept Phys, Adelaide, SA, Australia. [Bouffard, J.; Edson, W.; Ernst, J.; Fischer, A.; Guindon, S.; Jain, V.] SUNY Albany, Dept Phys, Albany, NY 12222 USA. [Butt, A. I.; Czodrowski, P.; Dassoulas, J.; Gingrich, D. M.; Jabbar, S.; Karamaoun, A.; Moore, R. W.; Pinfold, J. L.; Saddique, A.; Vaque, F. 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A.; Iakovidis, G.; Klimentov, A.; Kravchenko, A.; Lanni, F.; Lissauer, D.; Lynn, D.; Ma, H.; Maeno, T.; Metcalfe, J.; Mountricha, E.; Nevski, P.; Nilsson, P.; Damazio, D. Oliveira; Paige, F.; Panitkin, S.; Perepelitsa, D. V.; Pleier, M. -A.; Polychronakos, V.; Protopopescu, S.; Purohit, M.; Radeka, V.; Rajagopalan, S.; Redlinger, G.; Snyder, S.; Steinberg, P.; Takai, H.; Undrus, A.; Wenaus, T.; Ye, S.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Alexa, C.; Boldea, V.; Buda, S. I.; Caprini, I.; Chitan, A.; Ciubancan, M.; Constantinescu, S.; Dita, P.; Dita, S.; Dobre, M.; Ducu, O. A.; Jinaru, A.; Martoiu, V. S.; Maurer, J.; Olariu, A.; Pantea, D.; Rotaru, M.; Stoicea, G.; Tudorache, A.; Tudorache, V.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Popeneciu, G. A.] Natl Inst Res & Dev Isotop & Mol Technol, Dept Phys, Cluj Napoca, Romania. Univ Politehn Bucuresti, Bucharest, Romania. West Univ Timisoara, Timisoara, Romania. [Otero Y Garzon, G.; Piegaia, R.; Reisin, H.; Sacerdoti, S.] Univ Buenos Aires, Dept Fis, Buenos Aires, DF, Argentina. [Arratia, M.; Barlow, N.; Batley, J. R.; Brochu, F. M.; Carter, J. R.; Chapman, J. D.; Cottin, G.; French, S. T.; Gillam, T. P. S.; Hill, J. C.; Kaneti, S.; Khoo, T. J.; Lester, C. G.; Mueller, T.; Parker, M. A.; Robinson, D.; Thomson, M.; Ward, C. P.; Yusuff, I.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Bellerive, A.; Cree, G.; Di Valentino, D.; Koffas, T.; Lacey, J.; Leight, W. A.; McCarthy, T. G.; Nomidis, I.; Oakham, F. G.; Pasztor, G.; Tarrade, F.; Ueno, R.; Vincter, M. G.] Carleton Univ, Dept Phys, Ottawa, ON K1S 5B6, Canada. [Abreu, R.; Aleksa, M.; Gonzalez, B. Alvarez; Andari, N.; Anders, G.; Anghinolfi, F.; Armbruster, A. J.; Arnaez, O.; Avolio, G.; Baak, M. A.; Backes, M.; Backhaus, M.; Barak, L.; Beltramello, O.; Bianco, M.; Bogaerts, J. A.; Boveia, A.; Boyd, J.; Burckhart, H.; Campana, S.; Garrido, M. D. M. Capeans; Carli, T.; Catinaccio, A.; Cattai, A.; Cery, M.; Chromek-Burckhart, D.; Conti, G.; Dell'Acqua, A.; Deviveiros, P. O.; Di Girolamo, A.; Di Girolamo, B.; Dittus, F.; Dobos, D.; Dudarev, A.; Duehrssen, M.; Eifert, T.; Ellis, N.; Elsing, M.; Farthouat, P.; Fassnacht, P.; Feigl, S.; Fernandez Perez, S.; Francis, D.; Froidevaux, D.; Gillberg, D.; Glatzer, J.; Goossens, L.; Gorini, B.; Gray, H. M.; Hawkings, R. J.; Helsens, C.; Correia, A. M. Henriques; Hervas, L.; Hoecker, A.; Hubacek, Z.; Huhtinen, M.; Iengo, P.; Jaekel, M. R.; Jakobsen, S.; Jenni, R.; Kaneda, M.; Klioutchnikova, T.; Krasznahorkay, A.; Lantzsch, K.; Lapoire, C.; Lassnig, M.; Miotto, G. Lehmann; Lenzi, B.; Lichard, P.; Macina, D.; Malyukov, S.; Mandelli, B.; Mapelli, L.; Marzin, A.; Milic, A.; Mornacchi, G.; Nairz, A. M.; Nakahama, Y.; Nessi, M.; Nicquevert, B.; Nordberg, M.; Oide, H.; Palestini, S.; Pauly, T.; Pernegger, H.; Peters, K.; Petersen, B. A.; Pommes, K.; Poppleton, A.; Poulard, G.; Prasad, S.; Rammensee, M.; Raymond, M.; Rembser, C.; Ritsch, E.; Roe, S.; Ruiz-Martinez, A.; Salzburger, A.; Schaefer, D.; Schlenker, S.; Schmieden, K.; Serfon, C.; Sforza, F.; Sfyrla, A.; Solans, C. A.; Spigo, G.; Stelzer, H. J.; Teischinger, F. A.; Ten Kate, H.; Tremblet, L.; Tricoli, A.; Tsarouchas, C.; Unal, G.; van Woerden, M. C.; Vandelli, W.; Voss, R.; Vuillermet, R.; Wells, P. S.; Wengler, T.; Wenig, S.; Wilkens, H. G.; Wotschack, J.; Young, C. J. S.; Zwalinski, L.] CERN, Geneva, Switzerland. [Alison, J.; Anderson, K. J.; Toro, R. Camacho; Cheng, Y.; Dandoy, J. R.; Facini, G.; Fiascaris, M.; Gardner, R. W.; Ilchenko, Y.; Kapliy, A.; Kim, Y. K.; Krizka, K.; Li, H. L.; Merritt, F. S.; Miller, D. W.; Narayan, R.; Okumura, Y.; Onyisi, P. U. E.; Oreglia, M. J.; Penning, B.; Pilcher, J. E.; Saxon, J.; Shochet, M. J.; Vukotic, I.; Webster, J. S.; Wu, M.] Univ Chicago, Enrico Fermi Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Carquin, E.; Diaz, M. A.; Ochoa-Ricoux, J. P.; Vogel, M.] Pontificia Univ Catolica Chile, Dept Fis, Alameda 340, Santiago, Chile. [Brooks, W. K.; Kuleshov, S.; Pezoa, R.; Prokoshin, F.; White, R.] Univ Tecn Federico Santa Maria, Dept Fis, Valparaiso, Chile. [Bai, Y.; Fang, Y.; Jin, S.; Lou, X.; Ouyang, Q.; Ren, H.; Shan, L. Y.; Sun, X.; Wang, J.; Xu, D.; Zhu, H.; Zhuang, X.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Gao, J.; Guan, L.; Han, L.; Hu, Q.; Jiang, Y.; Li, B.; Liu, M.; Liu, Y.; Peng, H.; Song, H. Y.; Xu, L.; Zhang, R.; Zhao, Z.; Zhu, Y.] Univ Sci & Technol China, Dept Modern Phys, Hefei, Anhui, Peoples R China. [Chen, S.; Li, Y.; Zhang, H.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Basalaev, A.; Chen, L.; Feng, C.; Ge, P.; Liu, B.; Ma, L. L.; Zhang, X.; Zhao, Y.; Zhu, C. G.] Shandong Univ, Sch Phys, Jinan, Shandong, Peoples R China. [Guo, J.; Li, Y.; Yang, H.] Shanghai Jiao Tong Univ, Shanghai Key Lab Particle Phys & Cosmol, Dept Phys & Astron, Shanghai 200030, Peoples R China. [Chen, X.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Gilles, G.; Gris, Ph.; Liao, H.; Madar, R.; Pallin, D.; Saez, S. M. Romano; Santoni, C.; Simon, D.; Theveneaux-Pelzer, T.; Vazeille, F.] Univ Clermont Ferrand, Phys Corpusculaire Lab, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Gilles, G.; Gris, Ph.; Liao, H.; Madar, R.; Pallin, D.; Saez, S. M. Romano; Santoni, C.; Simon, D.; Theveneaux-Pelzer, T.; Vazeille, F.] Univ Clermont Ferrand, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Gilles, G.; Gris, Ph.; Liao, H.; Madar, R.; Pallin, D.; Saez, S. M. Romano; Santoni, C.; Simon, D.; Theveneaux-Pelzer, T.; Vazeille, F.] Univ Clermont Ferrand, Photochim Mol & Macromol Lab, CNRS, IN2P3, F-63177 Clermont Ferrand, France. [Alkire, S. P.; Altheimer, A.; Andeen, T.; Angerami, A.; Bain, T.; Brooijmans, G.; Cole, B.; Hu, D.; Hughes, E. W.; Iordanidou, K.; Klein, M. H.; Mohapatra, S.; Nikiforou, N.; Parsons, J. A.; Smith, M. N. K.; Smith, R. W.; Thompson, E. N.; Tuts, P. M.; Zhou, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Alonso, A.; Dam, M.; Galster, G.; Hansen, J. B.; Hansen, J. D.; Joergensen, M. D.; Loevschall-Jensen, A. E.; Monk, J.; Mortensen, S. S.; Pedersen, L. E.; Petersen, T. C.; Pingel, A.; Wiglesworth, C.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Cairo, V. M.; Capua, M.; Crosetti, G.; La Rotonda, L.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Scarfone, V.; Schioppa, M.; Susinno, G.; Tassi, E.] Ist Nazl Fis Nucl, Lab Nazl Frascati, Grp Collegato Cosenza, Arcavacata Di Rende, Italy. [Cairo, V. M.; Capua, M.; Crosetti, G.; La Rotonda, L.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Scarfone, V.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartimento Fis, I-87036 Arcavacata Di Rende, Italy. [Adamczyk, L.; Bold, T.; Dabrowski, W.; Dyndal, M.; Grabowska-Bold, I.; Kisielewska, D.; Koperny, S.; Kowalski, T. Z.; Mindur, B.; Przybycien, M.; Zemla, A.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, PL-30059 Krakow, Poland. [Palka, M.; Richter-Was, E.] Jagiellonian Univ, Marian Smoluchowski Inst Phys, Krakow, Poland. [Banas, E.; de Renstrom, P. A. Bruckman; Chwastowski, J. J.; Derendarz, D.; Godlewski, J.; Gornicki, E.; Hajduk, Z.; Iwanski, W.; Kaczmarska, A.; Korcyl, K.; Malecki, Pa.; Olszewski, A.; Olszowska, J.; Stanecka, E.; Staszewski, R.; Trzebinski, M.; Trzupek, A.; Wolter, M. W.; Wosiek, B. K.; Wozniak, K. W.; Zabinski, B.] Polish Acad Sci, Inst Nucl Phys, Krakow, Poland. [Cao, T.; Firan, A.; Hetherly, J. W.; Kama, S.; Kehoe, R.; Sekula, S. J.; Stroynowski, R.; Turvey, A. J.; Varol, T.; Wang, H.; Ye, J.; Zhao, X.; Zhou, L.] So Methodist Univ, Dept Phys, Dallas, TX 75275 USA. [Izen, J. M.; Leyton, M.; Meirose, B.; Namasivayam, H.; Reeves, K.] Univ Texas Dallas, Dept Phys, Richardson, TX 75083 USA. [Argyropoulos, S.; Asbah, N.; Bessner, M.; Bloch, I.; Borroni, S.; Britzger, D.; Camarda, S.; Deterre, C.; Eckardt, C.; Filipuzzi, M.; Glazov, A.; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Haleem, M.; Hamnett, P. G.; Hengler, C.; Hiller, K. H.; Howarth, J.; Huang, Y.; Katzy, J.; Keller, J. S.; Kondrashova, N.; Kuhl, T.; Lobodzinska, E.; Lohwasser, K.; Mamuzic, J.; Medinnis, M.; Moenig, K.; Garcia, R. F. Naranjo; Naumann, T.; Peschke, R.; Pirumov, H.; Poley, A.; Rubinskiy, I.; Schaefer, R.; Schmitt, S.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Wang, J.; Wasicki, C.; Yildirim, E.] DESY, Notkestr 85, Hamburg, Germany. [Argyropoulos, S.; Asbah, N.; Bessner, M.; Bloch, I.; Borroni, S.; Britzger, D.; Camarda, S.; Deterre, C.; Eckardt, C.; Filipuzzi, M.; Glazov, A.; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Haleem, M.; Hamnett, P. G.; Hengler, C.; Hiller, K. H.; Howarth, J.; Huang, Y.; Katzy, J.; Keller, J. S.; Kondrashova, N.; Kuhl, T.; Lobodzinska, E.; Lohwasser, K.; Mamuzic, J.; Medinnis, M.; Moenig, K.; Garcia, R. F. Naranjo; Naumann, T.; Peschke, R.; Petit, E.; Pirumov, H.; Poley, A.; Radescu, V.; Rubinskiy, I.; Schaefer, R.; Schmitt, S.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Wang, J.; Wasicki, C.; Yildirim, E.] DESY, Zeuthen, Germany. [Burmeister, I.; Erdmann, J.; Esch, H.; Goessling, C.; Homann, M.; Jentzsch, J.; Jung, C. A.; Klingenberg, R.; Kroeninger, K.] Tech Univ Dortmund, Inst Expt Phys 4, D-44221 Dortmund, Germany. [Anger, P.; Duschinger, D.; Friedrich, F.; Grohs, J. P.; Gumpert, C.; Gutschow, C.; Hauswald, L.; Kobel, M.; Mader, W. F.; Morgenstern, M.; Novgorodova, O.; Rudolph, C.; Schnoor, U.; Siegert, F.; Socher, F.; Staerz, S.; Straessner, A.; Vest, A.; Wahrmund, S.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Cerio, B. C.; Goshaw, A. T.; Kajomovitz, E.; Kotwal, A.; Kruse, M. C.; Li, L.; Li, S.; Liu, M.; Oh, S. H.; Zhou, C.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Bristow, T. M.; Clark, P. J.; Dias, F. A.; Edwards, N. C.; Gao, Y.; Walls, F. M. Garay; Glaysher, P. C. F.; Harrington, R. D.; Leonidopoulos, C.; Martin, V. J.; Mills, C.; O'Brien, B. J.; Pino, S. A. Olivares; Proissl, M.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, SUPA Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Antonelli, M.; Beretta, M.; Bilokon, H.; Chiarella, V.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Gatti, C.; Giromini, P.; Laurelli, P.; Maccarrone, G.; Mancini, G.; Testa, M.; Vilucchi, E.] Ist Nazl Fis Nucl, Lab Nazl Frascati, POB 13, I-00044 Frascati, Italy. [Amoroso, S.; Arnold, H.; Betancourt, C.; Boehler, M.; Bruneliere, R.; Buehrer, F.; Buescher, D.; Cardillo, F.; Coniavitis, E.; Consorti, V.; Dang, N. P.; Dao, V.; Di Simone, A.; Giuliani, C.; Herten, G.; Jakobs, K.; Javurek, T.; Jenni, R.; Kiss, F.; Koeneke, K.; Kopp, A. K.; Kuehn, S.; Lai, S.; Landgraf, U.; Mahboubi, K.; Mohr, W.; Pagacova, M.; Parzefall, U.; Ronzani, M.; Rosbach, K.; Ruehr, F.; Rurikova, Z.; Ruthmann, N.; Schillo, C.; Schmidt, E.; Schumacher, M.; Sommer, P.; Sundermann, J. E.; Temming, K. K.; Tsiskaridze, V.; Ungaro, F. C.; von Radziewski, H.; Warsinsky, M.; Weiser, C.; Werner, M.; Zhang, L.; Zimmermann, S.] Univ Freiburg, Fak Math & Phys, Hugstetter Str 55, D-79106 Freiburg, Germany. [Ancu, L. S.; Barone, G.; Bell, W. H.; Noccioli, E. Benhar; De Mendizabal, J. Bilbao; Clark, A.; Delitzsch, C. M.; della Volpe, D.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Golling, T.; Gonzalez-Sevilla, S.; Gramling, J.; Guescini, F.; Iacobucci, G.; Katre, A.; La Rosa, A.; Mermod, P.; Miucci, A.; Muenstermann, D.; Nessi, M.; Paolozzi, L.; Picazio, A.; Ristic, B.; Schramm, S.; Tykhonov, A.; Vallecorsa, S.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Darbo, G.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Gaudiello, A.; Gemme, C.; Guido, E.; Morettini, P.; Osculati, B.; Parodi, F.; Passaggio, S.; Rossi, L. P.; Sannino, M.; Schiavi, C.] Ist Nazl Fis Nucl, Sez Genova, Via Dodecaneso 33, I-16146 Genoa, Italy. [Barberis, D.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Gaudiello, A.; Guido, E.; Osculati, B.; Parodi, F.; Sannino, M.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Jejelava, J.; Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Durglishvili, A.; Khubua, J.; Mosidze, M.] Tbilisi State Univ, Inst High Energy Phys, Tbilisi, Rep of Georgia. [Dueren, M.; Kreutzfeldt, K.; Stenzel, H.] Univ Giessen, Inst Phys 2, Giessen, Germany. [Bates, R. L.; Madden, W. D. Breaden; Britton, D.; Buckley, A. G.; Bussey, P.; Buttar, C. M.; Buzatu, A.; Cinca, D.; D'Auria, S.; Doyle, A. T.; Ferrando, J.; de Lima, D. E. Ferreira; Gul, U.; Ortiz, N. G. Gutierrez; Kar, D.; Knue, A.; Morton, A.; Mullen, P.; O'Shea, V.; Barrera, C. Oropeza; Owen, M.; Pollard, C. S.; Qin, G.; Quilty, D.; Ravenscroft, T.; Robson, A.; St Denis, R. D.; Stewart, G. A.; Thompson, A. S.] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow, Lanark, Scotland. [Bindi, M.; Blumenschein, U.; Brandt, G.; Drechsler, E.; George, M.; Graber, L.; Grosse-Knetter, J.; Hamer, M.; Kareem, M. J.; Kawamura, G.; Lemmer, B.; Magradze, E.; Mantoani, M.; Mchedlidze, G.; Llacer, M. Moreno; Musheghyan, H.; Nackenhorst, O.; Nadal, J.; Quadt, A.; Rieger, J.; Schorlemmer, A. L. S.; Shabalina, E.; Stolte, P.; Weingarten, J.; Zinonos, Z.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Brown, J.; Collot, J.; Crepe-Renaudin, S.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J. -Y.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.; Wu, M.] Univ Grenoble Alpes, Lab Phys Subat & Cosmol, CNRS, IN2P3, Grenoble, France. [McFarlane, K. W.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [da Costa, J. Barreiro Guimardes; Catastini, P.; Clark, B. L.; Franklin, M.; Huth, J.; Ippolito, V.; Lazovich, T.; Mateos, D. Lopez; Mercurio, K. M.; Morii, M.; Skottowe, H. P.; Spearman, W. R.; Sun, S.; Tolley, E.; Yen, A. L.; Zambito, S.] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Andrei, V.; Baas, A. E.; Brandt, O.; Davygora, Y.; Djuvsland, J. I.; Dunford, M.; Geisler, M. P.; Hanke, P.; Jongmanns, J.; Kluge, E. -E.; Lang, V. S.; Meier, K.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Anders, C. F.; Giulini, M.; Lisovyi, M.; Schaetzel, S.; Schmitt, S.; Schoening, A.; Sosa, D.] Heidelberg Univ, Inst Phys, Philosophenweg 12, Heidelberg, Germany. [Colombo, T.; Kretz, M.; Kugel, A.] Heidelberg Univ, ZITI Inst Tech Informat, Mannheim, Germany. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Bortolotto, V.; Castillo, L. R. Flores] Chinese Univ Hong Kong, Dept Phys, Shatin, Hong Kong, Peoples R China. [Bortolotto, V.] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Bortolotto, V.; Prokofiev, K.] Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China. [Choi, K.; Dattagupta, A.; Evans, H.; Gagnon, P.; Lammers, S.; Martinez, N. Lorenzo; Luehring, F.; Ogren, H.; Penwell, J.; Weinert, B.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Jansky, R.; Jussel, P.; Kneringer, E.; Lukas, W.; Usanova, A.; Vigne, R.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Mallik, U.; Mandrysch, R.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; De Lorenzi, F.; Krumnack, N.; Pluth, D.; Prell, S.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Ahmadov, F.; Aleksandrov, I. N.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Gostkin, M. I.; Huseynov, N.; Javadov, N.; Karpov, S. N.; Karpova, Z. M.; Kazarinov, M. Y.; Khramov, E.; Kotov, V. M.; Kruchonak, U.; Krumnack, N.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Minashvili, I. A.; Mineev, M.; Peshekhonov, V. D.; Plotnikova, E.; Potrap, I. N.; Pozdnyakov, V.; Sadykov, R.; Sapronov, A.; Shiyakova, M.; Sisakyan, A. N.; Soloshenko, A.; Vinogradov, V. B.; Yeletskikh, I.; Zhemchugov, A.; Zimine, N. I.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Amako, K.; Aoki, M.; Arai, Y.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Kono, T.; Makida, Y.; Nagano, K.; Nakamura, K.; Nozaki, M.; Odaka, S.; Suzuki, S.; Suzuki, Y.; Tanaka, S.; Terada, S.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki, Japan. [Chen, Y.; Hasegawa, M.; Inamaru, Y.; Kishimoto, T.; Kurashige, H.; Kurumida, R.; Ochi, A.; Shimizu, S.; Takeda, H.; Yamazaki, Y.; Yuan, L.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Ishino, M.; Kunigo, T.; Sumida, T.; Tashiro, T.] Kyoto Univ, Fac Sci, Kyoto, Japan. [Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Kawagoe, K.; Oda, S.; Otono, H.; Tojo, J.] Kyushu Univ, Dept Phys, Fukuoka 812, Japan. [Alconada Verzini, M. J.; Alonso, F.; Arduh, F. A.; Dova, M. T.; Monticelli, F.; Wahlberg, H.] Univ Nacl La Plata, Inst Fis La Plata, RA-1900 La Plata, Buenos Aires, Argentina. [Alconada Verzini, M. J.; Alonso, F.; Arduh, F. A.; Dova, M. T.; Monticelli, F.; Wahlberg, H.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Barton, A. E.; Beattie, M. D.; Borissov, G.; Bouhova-Thacker, E. V.; Dearnaley, W. J.; Fox, H.; Grimm, K.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Maddocks, H. J.; Skinner, M. B.; Smizanska, M.; Walder, J.; Wharton, A. M.] Univ Lancaster, Dept Phys, Lancaster, England. [Chiodini, G.; Gorini, E.; Primavera, M.; Spagnolo, S.; Ventura, A.] Ist Nazl Fis Nucl, Sez Lecce, I-73100 Lecce, Italy. [Gorini, E.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce, Italy. [Affolder, A. A.; Anders, J. K.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Gwilliam, C. B.; Hayward, H. S.; Jackson, M.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kretzschmar, J.; Laycock, P.; Lehan, A.; Maxfield, S. J.; Mehta, A.; Readioff, N. P.; Schnellbach, Y. J.; Vossebeld, J. H.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Mandic, I.; Mikuz, M.; Sfiligoj, T.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Mandic, I.; Mikuz, M.; Sfiligoj, T.] Univ Ljubljana, Ljubljana, Slovenia. [Alpigiani, C.; Artamonov, A.; Bevan, A. J.; Bona, M.; Bret, M. Cano; Cerrito, L.; Fletcher, G.; Goddard, J. R.; Hays, J. M.; Hickling, R.; Landon, M. P. J.; Lloyd, S. L.; Morris, J. D.; Nooney, T.; Piccaro, E.; Rizvi, E.; Sandbach, R. L.; Snidero, G.] Queen Mary Univ London, Sch Phys & Astron, London, England. [Berry, T.; Blanco, J. E.; Boisvert, V.; Brooks, T.; Connelly, I. A.; Cowan, G.; Duguid, L.; Giannelli, M. Faucci; George, S.; Gibson, S. M.; Kempster, J. J.; Vazquez, J. G. Panduro; Pastore, Fr.; Savage, G.; Sowden, B. C.; Spano, F.; Teixeira-Dias, P.; Thomas-Wilsker, J.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Casadei, D.; Chislett, R. T.; Christodoulou, V.; Cooper, B. D.; Davison, P.; Falla, R. J.; Freeborn, D.; Gregersen, K.; Hesketh, G. G.; Jansen, E.; Jiggins, S.; Konstantinidis, N.; Korn, A.; Kucuk, H.; Lambourne, L.; Leney, K. J. C.; Martyniuk, A. C.; Mcfayden, J. A.; Nurse, E.; Ochoa, I.; Richter, S.; Scanlon, T.; Sherwood, P.; Simmons, B.; Wardrope, D. R.; Waugh, B. M.] UCL, Dept Phys & Astron, Mortimer St, London, England. [Basalaev, A.; Greenwood, Z. D.; Grossi, G. C.; Jana, D. K.; Sawyer, L.; Subramaniam, R.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; De Cecco, S.; Demilly, A.; Derue, F.; Francavilla, P.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pandini, C. E.; Pires, S.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; De Cecco, S.; Demilly, A.; Derue, F.; Francavilla, P.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pandini, C. E.; Pires, S.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; De Cecco, S.; Demilly, A.; Derue, F.; Francavilla, P.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pandini, C. E.; Pires, S.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] CNRS, IN2P3, Paris, France. [Akesson, T. P. A.; Bocchetta, S. S.; Bryngemark, L.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Ivarsson, J.; Jarlskog, G.; Lytken, E.; Miornmark, J. U.; Smirnova, O.; Viazlo, O.] Lund Univ, Inst Fys, Lund, Sweden. [Arnal, V.; Barreiro, F.; Bassalat, A.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Llorente Merino, J.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C15, Madrid, Spain. [Becker, M.; Bertella, C.; Blum, W.; Buescher, V.; Caputo, R.; Caudron, J.; Ellinghaus, F.; Endner, O. C.; Ertel, E.; Fiedler, F.; Torregrosa, E. Fullana; Heck, T.; Hohlfeld, M.; Huelsing, T. A.; Kamevskiy, M.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lin, T. H.; Masetti, L.; Mattmann, J.; Meyer, C.; Moritz, S.; Rave, S.; Sander, H. G.; Schaeffer, J.; Schaefer, U.; Schmitt, C.; Schott, M.; Schroeder, C.; Schuh, N.; Simioni, E.; Tapprogge, S.; Urrejola, P.; Valderanis, C.; Wollstadt, S. J.; Zimmermann, C.; Zinser, M.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Balli, F.; Barnes, S. L.; Cox, B. E.; Da Via, C.; Forti, A.; Ponce, J. M. Iturbe; Joshi, K. D.; Keoshkerian, H.; Loebinger, F. K.; Marsden, S. P.; Masik, J.; Neep, T. J.; Oh, A.; Ospanov, R.; Pater, J. R.; Peters, R. F. Y.; Pilkington, A. D.; Price, D.; Qin, G.; Queitsch-Maitland, M.; Robinson, J. E. M.; Schwanenberger, C.; Schweiger, H.; Shaw, S. M.; Thompson, R. J.; Tomlinson, L.; Watts, S.; Webb, S.; Woudstra, M. J.; Wyatt, T. R.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aad, G.; Alio, L.; Barber, M.; Chen, L.; Coadou, Y.; Diglio, S.; Djama, F.; Ducu, O. A.; Feligioni, L.; Gao, J.; Hallewell, G. D.; Hubaut, F.; Kahn, S. J.; Knoops, E. B. F. G.; Le Guirriec, E.; Liu, J.; Liu, K.; Madaffari, D.; Mochizuki, K.; Monnier, E.; Muanza, S.; Nagai, Y.; Nagy, E.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Torres, R. E. Ticse; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Aad, G.; Alio, L.; Barber, M.; Chen, L.; Coadou, Y.; Diaconu, C.; Diglio, S.; Djama, F.; Ducu, O. A.; Feligioni, L.; Gao, J.; Hallewell, G. D.; Hubaut, F.; Kahn, S. J.; Knoops, E. B. F. G.; Le Guirriec, E.; Liu, J.; Liu, K.; Madaffari, D.; Mochizuki, K.; Muanza, S.; Nagai, Y.; Nagy, E.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Torres, R. E. Ticse; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] CNRS, IN2P3, Marseille, France. [Bellomo, M.; Bernard, N. R.; Brau, J. E.; Dallapiccola, C.; Daya-Ishmukhametova, R. K.; Moyse, E. J. W.; Pais, P.; Pueschel, E.; Ventura, D.; Willocq, S.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Belanger-Champagne, C.; Chapleau, B.; Chuinard, A. J.; Corriveau, F.; Keyes, R. A.; Mantifel, R.; Prince, S.; Robertson, S. H.; Robichaud-Veronneau, A.; Stockton, M. C.; Stoebe, M.; Vachon, B.; Schroeder, T. Vazquez; Wang, K.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Brennan, A. J.; Dawe, E.; Jennens, D.; Kubota, T.; Milesi, M.; Hanninger, G. Nunes; Nuti, F.; Rados, P.; Spiller, L. A.; Tan, K. G.; Taylor, G. N.; Urquijo, P.; Volpi, M.; Zanzi, D.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Amidei, D.; Chelstowska, M. A.; Cheng, H. C.; Dai, T.; Diehl, E. B.; Edgar, R. C.; Feng, H.; Ferretti, C.; Fleischmann, P.; Goldfarb, S.; Hu, X.; Levin, D.; Liu, H.; Long, J. D.; Lu, N.; Marley, D. E.; Mc Kee, S. P.; McCarn, A.; Neal, H. A.; Qian, J.; Schwarz, T. A.; Searcy, J.; Sekhon, K.; Thun, R. P.; Wilson, A.; Wu, Y.; Xu, L.; Yu, J. M.; Zhang, D.; Zhou, B.; Zhu, J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Abolins, M.; Arabidze, G.; Brock, R.; Chegwidden, A.; Fisher, W. C.; Halladjian, G.; Hauser, R.; Hayden, D.; Huston, J.; Linnemann, J. T.; Martin, B.; Pope, B. G.; Schoenrock, B. D.; Schwienhorst, R.; Ta, D.; Tollefson, K.; True, P.; Willis, C.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Alimonti, G.; Andreazza, A.; Besana, M. I.; Carminati, L.; Cavalli, D.; Consonni, S. M.; Costa, G.; Fanti, M.; Giugni, D.; Lari, T.; Mandelli, L.; Mazza, S. M.; Meroni, C.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Shojaii, S.; Simoniello, R.; Tartarelli, G. F.; Troncon, C.; Turra, R.; Perez, M. Villaplana] Ist Nazl Fis Nucl, Sez Milano, Via Celoria 16, I-20133 Milan, Italy. [Andreazza, A.; Carminati, L.; Consonni, S. M.; Fanti, M.; Mazza, S. M.; Perini, L.; Pizio, C.; Ragusa, F.; Shojaii, S.; Simoniello, R.; Turra, R.; Perez, M. Villaplana] Univ Milan, Dipartimento Fis, Milan, Italy. [Harkusha, S.; Kulchitsky, Y.; Kurochkin, Y. A.; Tsiareshka, P. V.] Natl Acad Sci Belarus, BI Stepanov Phys Inst, Minsk, Byelarus. [Hrynevich, A.] Natl Sci & Educ Ctr Particle & High Energy Phys, Minsk, Byelarus. [Taylor, F. E.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Arguin, J. -F.; Azuelos, G.; Dallaire, F.; Gauthier, L.; Leroy, C.; Rezvani, R.; Saadi, D. Shoaleh] Univ Montreal, Grp Particle Phys, Montreal, PQ, Canada. [Akimov, A. V.; Gavrilenko, I. L.; Komar, A. A.; Mashinistov, R.; Mouraviev, S. V.; Nechaeva, P. Yu.; Shmeleva, A.; Snesarev, A. A.; Sulin, V. V.; Tikhomirov, V. O.; Zhukov, K.] Russian Acad Sci, PN Lebedev Phys Inst, Moscow, Russia. [Artamonov, A.; Gorbounov, P. A.; Khovanskiy, V.; Shatalov, P. B.; Tsukerman, I. I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Antonov, A.; Belotskiy, K.; Bulekov, O.; Dolgoshein, B. A.; Kantserov, V. A.; Krasnopevtsev, D.; Romaniouk, A.; Shulga, E.; Smirnov, S. Yu.; Smirnov, Y.; Soldatov, E. Yu.; Tikhomirov, V. O.; Timoshenko, S.; Vorobev, K.] Natl Res Nucl Univ, MEPhI, Moscow, Russia. [Boldyrev, A. S.; Gladilin, L. K.; Kramarenko, V. A.; Maevskiy, A.; Rud, V. I.; Sivoklokov, S. Yu.; Turchikhin, S.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Adomeit, S.; Becker, S.; Bender, M.; Biebel, O.; Bock, C.; Bortfeldt, J.; Calfayan, P.; Chow, B. K. B.; Duckeck, G.; Elmsheuser, J.; Hertenberger, R.; Hoenig, F.; Legger, F.; Lorenz, J.; Loesel, P. J.; Maier, T.; Mann, A.; Mehlhase, S.; Meineck, C.; Mitrevski, J.; Mueller, R. S. P.; Nunnemann, T.; Rauscher, F.; Sanders, M. P.; Schaile, D.; Unverdorben, C.; Vladoiu, D.; Walker, R.; Wittkowski, J.] Univ Munich, Fak Phys, Munich, Germany. [Barillari, T.; Baroncelli, A.; Bethke, S.; Bronner, J.; Compostella, G.; Cortiana, G.; Ecker, K. M.; Flowerdew, M. J.; Goblirsch-Kolb, M.; Ince, T.; Kiryunin, A. E.; Kortner, O.; Kortner, S.; Kroha, H.; Macchiolo, A.; Maier, A. A.; Manfredini, A.; Menke, S.; Mueller, F.; Nagel, M.; Nisius, R.; Nowak, S.; Oberlack, H.; Pahl, C.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Schwegler, Ph.; Spettel, F.; Stern, S.; Stonjek, S.; Terzo, S.; von der Schmitt, H.; Wildauer, A.] Werner Heisenberg Inst, Max Planck Inst Phys, Munich, Germany. [Shimojima, M.] Nagasaki Inst Appl Sci, Nagasaki, Japan. [Hasegawa, S.; Horii, Y.; Morvaj, L.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Hasegawa, S.; Horii, Y.; Morvaj, L.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648601, Japan. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Carlino, G.; Conventi, F.; De Asmundis, R.; Della Pietra, M.; Doria, A.; Izzo, V.; Merola, L.; Perrella, S.; Rossi, E.; Sanchez, A.; Sekhniaidze, G.; Zurzolo, G.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Merola, L.; Perrella, S.; Rossi, E.; Sanchez, A.; Zurzolo, G.] Univ Naples Federico II, Dipartimento Fis, Naples, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Seidel, S. C.; Toms, K.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Besjes, G. J.; Caron, S.; Croft, V.; De Groot, N.; Filthaut, F.; Konig, A. C.; Nektarijevic, S.; Salvucci, A.; Strubig, A.] Radboud Univ Nijmegen, Nikhef, Inst Math Astrophys & Particle Phys, NL-6525 ED Nijmegen, Netherlands. [Aben, R.; Angelozzi, I.; Beemster, L. J.; Bentvelsen, S.; Berge, D.; Bobbink, G. J.; Bos, K.; Brenner, L.; Butti, P.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deigaard, I.; Deluca, C.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Karastathis, N.; Kluft, P.; Koffeman, E.; Linde, F.; Mahlstedt, J.; Meyer, J.; Oussorenl, K. P.; Sabato, G.; Salek, D.; Slawinska, M.; Valencic, N.; Van den Wollenberg, W.; Van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Vreeswijk, M.; Weits, H.; Williams, S.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Aben, R.; Angelozzi, I.; Beemster, L. J.; Bentvelsen, S.; Berge, D.; Bobbink, G. J.; Bos, K.; Brenner, L.; Butti, P.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deigaard, I.; Deluca, C.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Karastathis, N.; Kluft, P.; Koffeman, E.; Linde, F.; Mahlstedt, J.; Meyer, J.; Oussorenl, K. P.; Sabato, G.; Salek, D.; Slawinska, M.; Valencic, N.; Van den Wollenberg, W.; Van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Vreeswijk, M.; Weits, H.; Williams, S.] Univ Amsterdam, Amsterdam, Netherlands. [Adelman, J.; Burghgrave, B.; Chakraborty, D.; Cole, S.; Suhr, C.; Yurkewicz, A.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Anisenkov, A. V.; Bobrovnikov, V. S.; Bogdanchikov, A. G.; Buzykaev, A. R.; Kazanin, V. F.; Kharlamov, A. G.; Korol, A. A.; Malyshev, V. M.; Maslennikov, A. L.; Maximov, D. A.; Peleganchuk, S. V.; Rezanova, O. L.; Soukharev, A. M.; Talyshev, A. A.; Tikhonov, Yu. A.] Budker Inst Nucl Phys, SB RAS, Novosibirsk 630090, Russia. [Bernius, C.; Cranmer, K.; Haas, A.; Heinrich, L.; van Huysduynen, L. Hooft; Kaplan, B.; Karthik, K.; Konoplich, R.; Kreiss, S.; Mincer, A. I.; Nemethy, P.; Neves, R. M.] NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA. [Beacham, J. B.; Gan, K. K.; Ishmukhametov, R.; Kagan, H.; Kass, R. D.; Looper, K. A.; Moss, J.; Nagarkar, A.; Pignotti, D. T.; Shrestha, S.; Tannenwald, B. B.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama 700, Japan. [Abbott, B.; Alhroob, M.; Bertsche, C.; Bertsche, D.; Gutierrez, P.; Hasib, A.; Norberg, S.; Pearson, B.; Saleem, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Bousson, N.; Haley, J.; Khanov, A.; Rizatdinova, F.; Sidorov, D.; Yu, J.] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Chytka, L.; Hamal, P.; Hrabovsky, M.; Kvita, J.; Nozka, L.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Brau, J. E.; Brost, E.; Hopkins, W. H.; Majewski, S.; Potter, C. T.; Ptacek, E.; Radloff, P.; Shamim, M.; Sinev, N. B.; Strom, D. M.; Torrence, E.; Wanotayaroj, C.; Whalen, K.; Winklmeier, F.] Univ Oregon, Ctr High Energy Phys, Eugene, OR 97403 USA. [Ayoub, M. K.; Bassalat, A.; Becot, C.; Binet, S.; Bourdarios, C.; De Regie, J. B. De Vivie; Delgove, D.; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Gkougkousis, E. L.; Grivaz, J. -F.; Guillemin, Abt.; Hariri, F.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Kado, M.; Li, Y.; Lounis, A.; Makovec, N.; Morange, N.; Nellist, C.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Rybkin, G.; Schaffer, A. C.; Scifo, E.; Serin, L.; Simion, S.; Tanaka, R.; Zerwas, D.; Zhang, Z.; Zhao, Y.] Univ Paris 11, CNRS, Univ Paris Saclay, IN2P3,LAL, F-91405 Orsay, France. [Endo, M.; Hanagaki, K.; Nomachi, M.; Okamura, W.; Sugaya, Y.; Teoh, J. J.; Yamaguchi, Y.] Osaka Univ, Grad Sch Sci, Osaka, Japan. [Bugge, L.; Bugge, M. K.; Cameron, D.; Catmore, J. R.; Franconi, L.; Garonne, V.; Gjelsten, B. K.; Gramstad, E.; Morisbak, V.; Nilsen, J. K.; Ould-Saada, F.; Pajchel, K.; Pedersen, M.; Raddum, S.; Read, A. L.; Rohne, O.; Sandaker, H.; Stapnes, S.; Strandlie, A.] Univ Oslo, Dept Phys, Oslo, Norway. [Barr, A. J.; Becker, K.; Behr, J. K.; Beresford, L.; Cooper-Sarkar, A. M.; Ortuzar, M. Crispin; Dafinca, A.; Davies, E.; Frost, J. A.; Gallas, E. J.; Gupta, S.; Gwenlan, C.; Hall, D.; Hays, C. P.; Henderson, J.; Howard, J.; Huffman, T. B.; Issever, C.; Kalderon, C. W.; Kogan, L. A.; Lewis, A.; Nagai, K.; Nickerson, R. B.; Pickering, M. A.; Ryder, N. C.; Tseng, J. C-L.; Viehhauser, G. H. A.; Weidberg, A. R.; Zhong, J.] Univ Oxford, Dept Phys, Oxford, England. [Conta, C.; Dondero, P.; Ferrari, R.; Fraternali, M.; Gaudio, G.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoldi, A.; Vercesi, V.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Conta, C.; Dondero, P.; Fraternali, M.; Livan, M.; Negri, A.; Negrini, M.; Rebuzzi, D. M.; Rimoldi, A.] Univ Pavia, Dipartimento Fis, I-27100 Pavia, Italy. [Bassalat, A.; Brendlinger, K.; Fletcher, R. R. M.; Heim, S.; Hines, E.; Jackson, B.; Kroll, J.; Lipeles, E.; Miguens, J. Machado; Meyer, C.; Stahlman, J.; Thomson, E.; Tuna, A. N.; Vanguri, R.; Williams, H. H.; Yoshihara, K.] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. [Basalaev, A.; Ezhilov, A.; Fedin, O. L.; Gratchev, V.; Levchenko, M.; Maleev, V. P.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Solovyev, V.] BP Konstantinov Nucl Phys Inst, Natl Res Ctr, Kurchatov Inst, St Petersburg, Russia. [Annovi, A.; Beccherle, R.; Bertolucci, F.; Cavasinni, V.; Del Prete, T.; Orso, M. Dell'; Donati, S.; Giannetti, P.; Leone, S.; Roda, C.; Scuri, F.; Sotiropoulou, C. L.; Spalla, M.; Volpi, G.; White, S.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Annovi, A.; Beccherle, R.; Bertolucci, F.; Cavasinni, V.; Del Prete, T.; Orso, M. Dell'; Donati, S.; Giannetti, P.; Leone, S.; Roda, C.; Scuri, F.; Sotiropoulou, C. L.; Spalla, M.; Volpi, G.; White, S.] Univ Pisa, Dipartimento Fis E Fermi, Pisa, Italy. [Bianchi, R. M.; Boudreau, J.; Cleland, W.; Escobar, C.; Hong, T. M.; Mueller, J.; Sapp, K.; Su, J.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Aguilar-Saavedra, J. A.; Amor Dos Santos, S. P.; Amorim, A.; Araque, J. P.; Cantrill, R.; Carvalho, J.; Castro, N. F.; Conde Muino, P.; Da Cunha Sargedas De Sousa, M. J.; Fiolhais, M. C. N.; Galhardo, B.; Gomes, A.; Gonzalo, R.; Jorge, P. M.; Lopes, L.; Maio, A.; Maneira, J.; Onofre, A.; Palma, A.; Pedro, R.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Tavares Delgado, A.; Veloso, F.; Wolters, H.] LIP, Lab Instrumentacao & Fis Expt Particulas, P-1000 Lisbon, Portugal. [Amorim, A.; Baroncelli, A.; Conde Muino, P.; Da Cunha Sargedas De Sousa, M. J.; Gomes, A.; Jorge, P. M.; Miguens, J. Machado; Maio, A.; Maneira, J.; Palma, A.; Pedro, R.; Pina, J.; Tavares Delgado, A.] Univ Lisbon, Fac Ciencias, Lisbon, Portugal. [Amor Dos Santos, S. P.; Carvalho, J.; Fiolhais, M. C. N.; Galhardo, B.; Veloso, F.; Wolters, H.] Univ Coimbra, Dept Phys, Coimbra, Portugal. [Gomes, A.; Maio, A.; Pina, J.; Saraiva, J. G.; Silva, J.] Univ Lisbon, Ctr Fis Nucl, P-1699 Lisbon, Portugal. [Onofre, A.] Univ Minho, Dept Fis, Braga, Portugal. [Aguilar-Saavedra, J. A.] Univ Granada, Dept Fis Teor Cosmos, Granada, Spain. [Aguilar-Saavedra, J. A.] Univ Granada, CAFPE, Granada, Spain. Univ Nova Lisboa, Dept Fis, Caparica, Portugal. Univ Nova Lisboa, Fac Ciencias & Tecnol, CEFITEC, Caparica, Portugal. [Chudoba, J.; Havranek, M.; Hejbal, J.; Jakoubek, T.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Lysak, R.; Marcisovsky, M.; Mikestikova, M.; Nemecek, S.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Augsten, K.; Caforio, D.; Gallus, P.; Guenther, J.; Jakubek, J.; Kohout, Z.; Myska, M.; Pospisil, S.; Seifert, F.; Simak, V.; Slavicek, T.; Smolek, K.; Solar, M.; Solc, J.; Sopczak, A.; Suk, M.; Turecek, D.; Vacek, V.; Vokac, P.; Vykydal, Z.; Zeman, M.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Balek, P.; Berta, P.; Cerny, K.; Chalupkova, I.; Davidek, T.; Dolejsi, J.; Faltova, J.; Kodys, P.; Kosek, T.; Leitner, R.; Pleskot, V.; Reznicek, P.; Scheirich, D.; Spousta, M.; Sykora, T.; Tas, P.; Todorova-Nova, S.; Valkar, S.; Vorobel, V.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Borisov, A.; Cheremushkina, E.; Denisov, S. P.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Golubkov, D.; Kamenshchikov, A.; Karyukhin, A. N.; Kozhin, A. S.; Minaenko, A. A.; Myagkov, A. G.; Nikolaenko, V.; Solovyanov, O. V.; Starchenko, E. A.; Zaitsev, A. M.; Zenin, O.] Inst High Energy Phys, NRC KI, State Res Ctr, Protvino, Russia. [Adye, T.; Baines, J. T.; Barnett, B. M.; Burke, S.; Davies, E.; Dewhurst, A.; Dopke, J.; Emeliyanov, D.; Gallop, B. J.; Gee, C. N. P.; Haywood, S. J.; Kirk, J.; Martin-Haugh, S.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Murray, W. J.; Phillips, P. W.; Sankey, D. P. C.; Sawyer, C.; Tyndel, M.; Wickens, F. J.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Anulli, F.; Bagiacchi, P.; Bagnaia, P.; Bauce, M.; Bini, C.; Ciapetti, G.; Corradi, M.; De Pedis, D.; De Salvo, A.; Di Domenico, A.; Di Donato, C.; Falciano, S.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Gustavino, G.; Kuna, M.; Lacava, F.; Luci, C.; Luminari, L.; Marzano, F.; Messina, A.; Monzani, S.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. Safai; Vanadia, M.; Vari, R.; Veneziano, S.; Verducci, M.; Zanello, L.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Bagiacchi, P.; Bagnaia, P.; Bauce, M.; Bini, C.; Ciapetti, G.; Corradi, M.; Di Domenico, A.; Di Donato, C.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Gustavino, G.; Kuna, M.; Lacava, F.; Luci, C.; Messina, A.; Monzani, S.; Vanadia, M.; Verducci, M.; Zanello, L.] Univ Roma La Sapienza, Dipartimento Fis, Rome, Italy. [Aielli, G.; Camarri, P.; Cardarelli, R.; Di Ciaccio, A.; Iuppa, R.; Liberti, B.; Mazzaferro, L.; Santonico, R.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, Rome, Italy. [Aielli, G.; Camarri, P.; Di Ciaccio, A.; Iuppa, R.; Mazzaferro, L.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, Via E Carnevale, I-00173 Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Ceradini, F.; Di Micco, B.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Pastore, F.; Petrucci, F.; Puddu, D.; Salamanna, G.; Sessa, M.; Stanescu, C.; Taccini, C.] Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Bacci, C.; Bellerive, A.; Ceradini, F.; Di Micco, B.; Orestano, D.; Pastore, F.; Petrucci, F.; Puddu, D.; Salamanna, G.; Sessa, M.; Taccini, C.] Univ Rome Tre, Dipartimento Matemat & Fis, I-00146 Rome, Italy. [Benchekroun, D.; Chafaq, A.; Hoummada, A.] Univ Hassan 2, Reseau Univ Phys Hautes Energies, Fac Sci Ain Chock, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Tech Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, Fac Sci Semlalia, LPHEA, Marrakech, Morocco. [Derkaoui, I. E.; Ouchrif, M.; Tayalati, Y.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Derkaoui, I. E.; Ouchrif, M.; Tayalati, Y.] LPTPM, Oujda, Morocco. [Cherkaoui El Moursli, R.; Fassi, F.; Haddad, N.; Idrissi, Z.] Univ Mohammed 5, Fac Sci, Rabat, Morocco. [Bachacou, H.; Bauer, F.; Besson, N.; Blanchard, J. -B.; Boonekamp, M.; Calandri, A.; Chevalier, L.; Hoffmann, M. Dano; Deliot, F.; Etienvre, A. I.; Formica, A.; Giraud, P. F.; Da Costa, J. Goncalves Pinto Firmino; Guyot, C.; Hanna, R.; Hassani, S.; Kivernyk, O.; Kozanecki, W.; Laporte, J. F.; Maiani, C.; Mansoulie, B.; Meyer, J-P.; Nicolaidou, R.; Ouraou, A.; Protopapadaki, E.; Royon, C. R.; Saimpert, M.; Schoeffel, L.; Schune, Ph.; Schwemling, Ph.; Schwindling, J.] CEA Saclay, DSM IRFU Inst Recherches Lois Fondamentales Unive, F-91191 Gif Sur Yvette, France. [Battaglia, M.; Debenedetti, C.; Grabas, H. M. X.; Grillo, A. A.; Kuhl, A.; Law, A. T.; Liang, Z.; Litke, A. M.; Lockman, W. S.; Manning, P. M.; Nielsen, J.; Reece, R.; Rose, P.; Sadrozinski, H. F-W.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Blackburn, D.; Coccaro, A.; Goussiou, A. G.; Hsu, S. -C.; Lubatti, H. J.; Marx, M.; Rompotis, N.; Rosten, R.; Rothberg, J.; Russell, H. L.; De Bruin, P. H. Sales; Watts, G.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Anastopoulos, C.; Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Fletcher, G. T.; Hodgkinson, M. C.; Hodgson, P.; Johansson, R.; Klinger, J. A.; Korolkova, E. V.; Kyriazopoulos, D.; Paredes, B. Lopez; Macdonald, C. M.; Miyagawa, P. S.; Paganis, E.; Parker, K. A.; Tovey, D. R.; Vickey, T.; Boeriu, O. E. Vickey] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Atlay, N. B.; Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Ibragimov, I.; Rosenthal, O.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. [Buat, Q.; Horton, A. J.; O'Neil, D. C.; Pachal, K.; Stelzer, B.; Torres, H.; Van Nieuwkoop, J.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Barklow, T.; Bartoldus, R.; Bawa, H. S.; Black, J. E.; Cogan, J. G.; Fulsom, B. G.; Gao, Y. S.; Garelli, N.; Grenier, P.; Ilic, N.; Kagan, M.; Kocian, M.; Koi, T.; Malone, C.; Mount, R.; Nef, P. D.; Piacquadio, G.; Rubbo, F.; Salnikov, A.; Schwartzman, A.; Strauss, E.; Su, D.; Swiatlowski, M.; Tompkins, L.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Astalos, R.; Bartos, P.; Blazek, T.; Federic, P.; Plazak, L.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Kladiva, E.; Strizenec, P.; Urban, J.] Slovak Acad Sci, Inst Expt Phys, Dept Subnucl Phys, Kosice 04353, Slovakia. [Hamilton, A.; Meehan, S.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Aurousseau, M.; Castaneda-Miranda, E.; Connell, S. H.; Govender, N.; Lee, C. A.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Bristow, K.; Hamity, G. N.; Hsu, C.; March, L.; Mellado Garcia, B. R.; Ruan, X.] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa. [Abulaiti, Y.; Akerstedt, H.; Asman, B.; Bendtz, K.; Bertoli, G.; Bylund, O. Bessidskaia; Bohm, C.; Clement, C.; Cribbs, W. A.; Hellman, S.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Pani, P.; Petridis, A.; Plucinski, P.; Poettgen, R.; Rossetti, V.; Shcherbakova, A.; Silverstein, S. B.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Ughetto, M.] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Abulaiti, Y.; Akerstedt, H.; Asman, B.; Bendtz, K.; Bertoli, G.; Bylund, O. Bessidskaia; Clement, C.; Cribbs, W. A.; Hellman, S.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Pani, P.; Petridis, A.; Plucinski, P.; Poettgen, R.; Rossetti, V.; Shcherbakova, A.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Ughetto, M.] Oskar Klein Ctr, Stockholm, Sweden. [Lund-Jensen, B.; Morley, A. K.; Strandberg, J.] Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. [Balestri, T.; Bee, C. P.; Campoverde, A.; Chen, K.; Grassi, V.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Balestri, T.; Bee, C. P.; Campoverde, A.; Chen, K.; Grassi, V.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Asquith, L.; Cerri, A.; Barajas, C. A. Chavez; De Santo, A.; Grout, Z. J.; Potter, C. J.; Salvatore, F.; Castillo, I. Santoyo; Shehu, C. Y.; Suruliz, K.; Sutton, M. R.; Vivarelli, I.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex, England. [Black, C. W.; Cuthbert, C.; Finelli, K. D.; Jeng, G. -Y.; Limosani, A.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdallah, J.; Hou, S.; Hsu, P. J.; Jamin, D. O.; Lee, S. C.; Li, B.; Lin, S. C.; Liu, B.; Liu, D.; Lo Sterzo, F.; Mazini, R.; Shi, L.; Soh, D. A.; Song, H. Y.; Teng, P. K.; Wang, C.; Wang, S. M.; Yang, Y.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Abreu, H.; Ashkenazi, A.; Cheatham, S.; Di Mattia, A.; Gozani, E.; Kopeliansky, R.; Musto, E.; Rozen, Y.; Tarem, S.; van Eldik, N.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Ashkenazi, A.; Bella, G.; Benary, O.; Benhammou, Y.; Davies, M.; Etzion, E.; Gershon, A.; Gueta, O.; Munwes, Y.; Oren, Y.; Silver, Y.; Taiblum, N.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Bachas, K.; Gkaitatzis, S.; Gkialas, I.; Iliadis, D.; Kimura, N.; Kordas, K.; Kourkoumeli-Charalampidi, A.; Leisos, A.; Orlando, N.; Papageorgiou, K.; Hernandez, D. Paredes; Petridou, C.; Sampsonidis, D.; Tsionou, D.] Aristotle Univ Thessaloniki, Dept Phys, GR-54006 Thessaloniki, Greece. [Akimoto, G.; Artamonov, A.; Asai, S.; Ashkenazi, A.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Morinaga, M.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamamoto, S.; Yamanaka, T.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo, Japan. [Akimoto, G.; Asai, S.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kobayashi, A.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Minand, Y.; Morinaga, M.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamamoto, S.; Yamanaka, T.] Univ Tokyo, Dept Phys, Tokyo, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 158, Japan. [Hirose, M.; Ishitsuka, M.; Jinnouchi, O.; Kobayashi, D.; Kuze, M.; Motohashi, K.; Nagai, R.; Nobe, T.; Pettersson, N. E.] Tokyo Inst Technol, Dept Phys, Oh Okayama, Tokyo 152, Japan. [AbouZeid, O. S.; Batista, S. J.; Chau, C. C.; DeMarco, D. A.; Di Sipio, R.; Diamond, M.; Krieger, P.; Liblong, A.; Mc Goldrick, G.; Orr, R. S.; Polifka, R.; Rudolph, M. S.; Savard, P.; Sinervo, P.; Spreitzer, T.; Taenzer, J.; Teuscher, R. J.; Trischuk, W.; Veloce, L. M.; Venturi, N.] Univ Toronto, Dept Phys, Toronto, ON, Canada. [Azuelos, G.; Canepa, A.; Chekulaev, S. V.; Gingrich, D. M.; Jovicevic, J.; Koutsman, A.; Oakham, F. G.; Oram, C. J.; Codina, E. Perez; Savard, P.; Schneider, B.; Schouten, D.; Seuster, R.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.; Vetterli, M. C.] TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. [Garcia, J. A. Benitez; Ramos, J. Manjarres; Palacino, G.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Nagata, K.; Okawa, H.; Sato, K.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan. [Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Nagata, K.; Okawa, H.; Sato, K.; Ukegawa, F.] Univ Tsukuba, Ctr Integrated Res Fundamental Sci & Engn, Tsukuba, Ibaraki, Japan. [Beacham, J. B.; Meon, E.; Rolli, S.; Sliwa, K.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA 02155 USA. [Losada, M.; Moreno, D.; Navarro, G.; Sandoval, C.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Corso-Radu, A.; Frate, M.; Gerbaudo, D.; Lankford, A. J.; Mete, A. S.; Nelson, A.; Relich, M.; Scannicchio, D. A.; Schernau, M.; Shimmin, C. O.; Taffard, A.; Unel, G.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Barisonzi, M.; Brazzale, S. F.; Cobal, M.; Giordani, M. P.; Miglioranzi, S.; Pinamonti, M.; Quayle, W. B.; Serkin, L.; Shaw, K.; Soualah, R.; Truong, L.] Ist Nazl Fis Nucl, Sez Trieste, Grp Collegato Udine, Udine, Italy. [Acharya, B. S.; Barisonzi, M.; Quayle, W. B.; Serkin, L.; Shaw, K.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Brazzale, S. F.; Cobal, M.; Giordani, M. P.; Miglioranzi, S.; Pinamonti, M.; Soualah, R.; Truong, L.] Univ Udine, Dipartimento Chim Fis & Ambiente, I-33100 Udine, Italy. [Atkinson, M.; Basye, A.; Armadans, R. Caminal; Cavaliere, V.; Chang, P.; Errede, S.; Lie, K.; Liss, T. M.; Liu, K.; Liu, L.; Neubauer, M. S.; Rybar, M.; Shang, R.; Vichou, I.] Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. [Kuutmann, E. Bergeaas; Brenner, R.; Ekelof, T.; Ellert, M.; Ferrari, A.; Isaksson, C.; Madsen, A.; Ohman, H.; Pelikan, D.; Rangel-Smith, C.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Alvarez Piqueras, D.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fernandez Martinez, P.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Jimenez Pena, J.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Vos, M.] Univ Valencia, Inst Fis Corpuscular, Valencia, Spain. [Alvarez Piqueras, D.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fernandez Martinez, P.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Jimenez Pena, J.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Vos, M.] Univ Valencia, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Alvarez Piqueras, D.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fernandez Martinez, P.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Jimenez Pena, J.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Valero, A.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Vos, M.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Alvarez Piqueras, D.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fernandez Martinez, P.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Jimenez Pena, J.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Vos, M.] Univ Valencia, Inst Microelect Barcelona IMB CNM, Valencia, Spain. [Alvarez Piqueras, D.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fernandez Martinez, P.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Jimenez Pena, J.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Vos, M.] CSIC, Valencia, Spain. [Danninger, M.; Fedorko, W.; Gay, C.; Gecse, Z.; King, S. B.; Lister, A.; Swedish, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Albert, J.; Berghaus, F.; David, C.; Elliot, A. A.; Fincke-Keeler, M.; Hamann, K.; Hill, E.; Keeler, R.; Kowalewski, R.; Kuwertz, E. S.; Kwan, T.; LeBlanc, M.; Lefebvre, M.; Marino, C. P.; McPherson, R. A.; Ouellette, E. A.; Pearce, J.; Sobie, R.; Trovatelli, M.; Venturi, M.] Univ Victoria, Dept Phys & Astron, Victoria, BC, Canada. [Beckingham, M.; Farrington, S. M.; Harrison, P. F.; Janus, M.; Jeske, C.; Jones, G.; Martin, T. A.; Murray, W. J.; Pianori, E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. 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A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Bawa, H. S.; Gao, Y. S.] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA. [Beck, H. P.] Univ Fribourg, Dept Phys, CH-1700 Fribourg, Switzerland. [Castro, N. F.] Univ Porto, Fac Ciencias, Dept Fis & Astron, Rua Campo Alegre 823, P-4100 Oporto, Portugal. [Chelkov, G. A.] Tomsk State Univ, Tomsk 634050, Russia. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Corriveau, F.; McPherson, R. A.; Robertson, S. H.; Sobie, R.; Teuscher, R. J.] Inst Particle Phys, Victoria, BC, Canada. [Fedin, O. L.] St Petersburg State Polytechn Univ, Dept Phys, St Petersburg, Russia. [Grinstein, S.; Juste Rozas, A.; Martinez, M.] ICREA, Inst Catalana Rec & Estud Avancats, Barcelona, Spain. [Hsu, P. J.] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan. [Ilchenko, Y.; Onyisi, P. U. E.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Jejelava, J.] Ilia State Univ, Inst Theoret Phys, Tbilisi, Rep of Georgia. [Khubua, J.] Georgian Tech Univ, Tbilisi, Rep of Georgia. [Kono, T.] Ochanomizu Univ, Ochadai Acad Prod, Tokyo 112, Japan. [Konoplich, R.] Manhattan Coll, New York, NY USA. [Leisos, A.] Hellen Open Univ, Patras, Greece. [Lin, S. C.] Acad Sinica, Inst Phys, Acad Sinica Grid Comp, Taipei, Taiwan. [Myagkov, A. G.; Nikolaenko, V.; Zaitsev, A. M.] State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi, Russia. [Pinamonti, M.] Scuola Int Super Studi Avanzati, SISSA, Trieste, Italy. [Purohit, M.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Shi, L.; Soh, D. A.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou 510275, Guangdong, Peoples R China. [Smimova, L. N.; Turchikhin, S.] Moscow MV Lomonosov State Univ, Fac Phys, Moscow, Russia. [Tompkins, L.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Toth, J.] Wigner Res Ctr Phys, Inst Particle & Nucl Phys, Budapest, Hungary. [Vest, A.] Flensburg Univ Appl Sci, Flensburg, Germany. [Yacoob, S.] Univ KwaZulu Natal, Discipline Phys, Durban, South Africa. [Yusuff, I.] Univ Malaya, Dept Phys, Kuala Lumpur 59100, Malaysia. RP Aad, G (reprint author), Aix Marseille Univ, CPPM, Marseille, France.; Aad, G (reprint author), CNRS, IN2P3, Marseille, France. RI Kantserov, Vadim/M-9761-2015; Chekulaev, Sergey/O-1145-2015; Snesarev, Andrey/H-5090-2013; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Carli, Ina/C-2189-2017; Peleganchuk, Sergey/J-6722-2014; Yang, Haijun/O-1055-2015; Li, Liang/O-1107-2015; Monzani, Simone/D-6328-2017; Kuday, Sinan/C-8528-2014; Garcia, Jose /H-6339-2015; Boyko, Igor/J-3659-2013; Coccaro, Andrea/P-5261-2016; Staroba, Pavel/G-8850-2014; Gavrilenko, Igor/M-8260-2015; Owen, Mark/Q-8268-2016; Di Domenico, Antonio/G-6301-2011; Shulga, Evgeny/R-1759-2016; Gauzzi, Paolo/D-2615-2009; Maleev, Victor/R-4140-2016; Camarri, Paolo/M-7979-2015; Mindur, Bartosz/A-2253-2017; Mashinistov, Ruslan/M-8356-2015; Gutierrez, Phillip/C-1161-2011; Fabbri, Laura/H-3442-2012; Tikhomirov, Vladimir/M-6194-2015; Livan, Michele/D-7531-2012; Ippolito, Valerio/L-1435-2016; Carvalho, Joao/M-4060-2013; Gladilin, Leonid/B-5226-2011; Casado, Pilar/H-1484-2015; White, Ryan/E-2979-2015; Guo, Jun/O-5202-2015; Warburton, Andreas/N-8028-2013; La Rosa Navarro, Jose Luis/K-4221-2016; Vanadia, Marco/K-5870-2016; Mitsou, Vasiliki/D-1967-2009; Smirnova, Oxana/A-4401-2013; Di Nardo, Roberto/J-4993-2012; Ventura, Andrea/A-9544-2015; Maneira, Jose/D-8486-2011; messina, andrea/C-2753-2013; Prokoshin, Fedor/E-2795-2012; Doyle, Anthony/C-5889-2009; Conde Muino, Patricia/F-7696-2011; Brooks, William/C-8636-2013; Grinstein, Sebastian/N-3988-2014; Zhukov, Konstantin/M-6027-2015 OI Kantserov, Vadim/0000-0001-8255-416X; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Carli, Ina/0000-0002-0411-1141; Peleganchuk, Sergey/0000-0003-0907-7592; Li, Liang/0000-0001-6411-6107; Monzani, Simone/0000-0002-0479-2207; Kuday, Sinan/0000-0002-0116-5494; Boyko, Igor/0000-0002-3355-4662; Coccaro, Andrea/0000-0003-2368-4559; Owen, Mark/0000-0001-6820-0488; Di Domenico, Antonio/0000-0001-8078-2759; Shulga, Evgeny/0000-0001-5099-7644; Gauzzi, Paolo/0000-0003-4841-5822; Camarri, Paolo/0000-0002-5732-5645; Mindur, Bartosz/0000-0002-5511-2611; Mashinistov, Ruslan/0000-0001-7925-4676; Fabbri, Laura/0000-0002-4002-8353; Tikhomirov, Vladimir/0000-0002-9634-0581; Livan, Michele/0000-0002-5877-0062; Ippolito, Valerio/0000-0001-5126-1620; Carvalho, Joao/0000-0002-3015-7821; Gladilin, Leonid/0000-0001-9422-8636; Casado, Pilar/0000-0002-0394-5646; White, Ryan/0000-0003-3589-5900; Guo, Jun/0000-0001-8125-9433; Warburton, Andreas/0000-0002-2298-7315; Vanadia, Marco/0000-0003-2684-276X; Mitsou, Vasiliki/0000-0002-1533-8886; Smirnova, Oxana/0000-0003-2517-531X; Ventura, Andrea/0000-0002-3368-3413; Maneira, Jose/0000-0002-3222-2738; Prokoshin, Fedor/0000-0001-6389-5399; Doyle, Anthony/0000-0001-6322-6195; Conde Muino, Patricia/0000-0002-9187-7478; Brooks, William/0000-0001-6161-3570; Grinstein, Sebastian/0000-0002-6460-8694; FU ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWFW, Austria; FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq, Brazil; FAPESP, Brazil; NSERC, Canada; NRC, Canada; CFI, Canada; CERN; CONICYT, Chile; CAS, China; MOST, China; NSFC, China; COLCIENCIAS, Colombia; MSMT CR, Czech Republic; MPO CR, Czech Republic; VSC CR, Czech Republic; DNRF, Denmark; DNSRC, Denmark; Lundbeck Foundation, Denmark; IN2P3-CNRS, France; CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, Germany; HGF, Germany; MPG, Germany; GSRT, Greece; RGC, Hong Kong SAR, China; ISF, Israel; I-CORE, Israel; Benoziyo Center, Israel; INFN, Italy; MEXT, Japan; JSPS, Japan; CNRST, Morocco; FOM, Netherlands; NWO, Netherlands; RCN, Norway; MNiSW, Poland; NCN, Poland; FCT, Portugal; MNE/IFA, Romania; MES of Russia; NRC KI, Russian Federation; JINR; MESTD, Serbia; MSSR, Slovakia; ARRS, Slovenia; MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC, Sweden; Wallenberg Foundation, Sweden; SERI, Switzerland; SNSF, Switzerland; Cantons of Bern and Geneva, Switzerland; MOST, Taiwan; TAEK, Turkey; STFC, United Kingdom; DOE, United States of America; NSF, United States of America; BCKDF; Canada Council; Canarie; CRC; Compute Canada; FQRNT; Ontario Innovation Trust, Canada; EPLANET, ERC, FP7, Horizon 2020 and Marie Sklodowska-Curie Actions, European Union; Investissements d'Avenir Labex and Idex, ANR, Region Auvergne and Fondation Partager le Savoir, France; DFG, Germany; AvH Foundation, Germany; EU-ESF; Greek NSRF; BSF, Israel; GIF, Israel; Minerva, Israel; BRF, Norway; Royal Society, United Kingdom; Leverhulme Trust, United Kingdom FX We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWFW and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; IN2P3-CNRS, CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, HGF, and MPG, Germany; GSRT, Greece; RGC, Hong Kong SAR, China; ISF, I-CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; RCN, Norway; MNiSW and NCN, Poland; FCT, Portugal; MNE/IFA, Romania; MES of Russia and NRC KI, Russian Federation; JINR; MESTD, Serbia; MSSR, Slovakia; ARRS and MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC and Wallenberg Foundation, Sweden; SERI, SNSF and Cantons of Bern and Geneva, Switzerland; MOST, Taiwan; TAEK, Turkey; STFC, United Kingdom; DOE and NSF, United States of America. In addition, individual groups and members have received support from BCKDF, the Canada Council, Canarie, CRC, Compute Canada, FQRNT, and the Ontario Innovation Trust, Canada; EPLANET, ERC, FP7, Horizon 2020 and Marie Sklodowska-Curie Actions, European Union; Investissements d'Avenir Labex and Idex, ANR, Region Auvergne and Fondation Partager le Savoir, France; DFG and AvH Foundation, Germany; Herakleitos, Thales and Aristeia programmes co-financed by EU-ESF and the Greek NSRF; BSF, GIF and Minerva, Israel; BRF, Norway; the Royal Society and Leverhulme Trust, United Kingdom. NR 58 TC 9 Z9 9 U1 17 U2 51 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD JUN PY 2016 VL 907 BP 717 EP 763 DI 10.1016/j.nuclphysb.2016.04.032 PG 47 WC Physics, Particles & Fields SC Physics GA DN1HX UT WOS:000376818000030 ER PT J AU Nemsak, S Conti, G Gray, AX Palsson, GK Conlon, C Eiteneer, D Keqi, A Rattanachata, A Saw, AY Bostwick, A Moreschini, L Rotenberg, E Strocov, VN Kobayashi, M Schmitt, T Stolte, W Ueda, S Kobayashi, K Gloskovskii, A Drube, W Jackson, CA Moetakef, P Janotti, A Bjaalie, L Himmetoglu, B Van de Walle, CG Borek, S Minar, J Braun, J Ebert, H Plucinski, L Kortright, JB Schneider, CM Balents, L de Groot, FMF Stemmer, S Fadley, CS AF Nemsak, S. Conti, G. Gray, A. X. Palsson, G. K. Conlon, C. Eiteneer, D. Keqi, A. Rattanachata, A. Saw, A. Y. Bostwick, A. Moreschini, L. Rotenberg, E. Strocov, V. N. Kobayashi, M. Schmitt, T. Stolte, W. Ueda, S. Kobayashi, K. Gloskovskii, A. Drube, W. Jackson, C. A. Moetakef, P. Janotti, A. Bjaalie, L. Himmetoglu, B. Van de Walle, C. G. Borek, S. Minar, J. Braun, J. Ebert, H. Plucinski, L. Kortright, J. B. Schneider, C. M. Balents, L. de Groot, F. M. F. Stemmer, S. Fadley, C. S. TI Energetic, spatial, and momentum character of the electronic structure at a buried interface: The two-dimensional electron gas between two metal oxides SO PHYSICAL REVIEW B LA English DT Article ID WAVE BASIS-SET; PHOTOELECTRON; SURFACE; SRTIO3; PHOTOEMISSION; SPECTRA; SOLIDS; LIQUID; FIELDS; STATE AB The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications and are the subject of intense study in many disciplines. We here apply experimental and theoretical techniques to the characterization of one such interesting interface system: the two-dimensional electron gas (2DEG) formed in multilayers consisting of SrTiO3 (STO) and GdTiO3 (GTO). This system has been the subject of multiple studies recently and shown to exhibit very high carrier charge densities and ferromagnetic effects, among other intriguing properties. We have studied a 2DEG-forming multilayer of the form [6 unit cells (u.c.) STO/3 u.c. of GTO](20) using a unique array of photoemission techniques including soft and hard x-ray excitation, soft x-ray angle-resolved photoemission, core-level spectroscopy, resonant excitation, and standing-wave effects, as well as theoretical calculations of the electronic structure at several levels and of the actual photoemission process. Standing-wave measurements below and above a strong resonance have been exploited as a powerful method for studying the 2DEG depth distribution. We have thus characterized the spatial and momentum properties of this 2DEG in detail, determining via depth-distribution measurements that it is spread throughout the 6 u.c. layer of STO and measuring the momentum dispersion of its states. The experimental results are supported in several ways by theory, leading to a much more complete picture of the nature of this 2DEG and suggesting that oxygen vacancies are not the origin of it. Similar multitechnique photoemission studies of such states at buried interfaces, combined with comparable theory, will be a very fruitful future approach for exploring and modifying the fascinating world of buried-interface physics and chemistry. C1 [Nemsak, S.; Conti, G.; Gray, A. X.; Palsson, G. K.; Conlon, C.; Eiteneer, D.; Keqi, A.; Rattanachata, A.; Saw, A. Y.; Fadley, C. S.] Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. [Nemsak, S.; Conti, G.; Gray, A. X.; Palsson, G. K.; Conlon, C.; Eiteneer, D.; Keqi, A.; Rattanachata, A.; Saw, A. Y.; Bostwick, A.; Moreschini, L.; Rotenberg, E.; Strocov, V. N.; Stolte, W.; Kortright, J. B.; Fadley, C. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Gray, A. X.] Stanford Univ, Stanford Inst Mat & Energy Sci, 2575 Sand Hill Rd, Menlo Pk, CA 94029 USA. [Gray, A. X.] Stanford Linear Accelerator Ctr Natl Accelerator, 2575 Sand Hill Rd, Menlo Pk, CA 94029 USA. [Strocov, V. N.; Kobayashi, M.; Schmitt, T.] Paul Scherrer Inst, Swiss Light Source, Villigen, Switzerland. [Ueda, S.; Kobayashi, K.] Natl Inst Mat Sci, Synchrotron X Ray Stn Spring 8, Mikazuki, Hyogo 6795148, Japan. [Gloskovskii, A.; Drube, W.; Stemmer, S.] DESY, D-22607 Hamburg, Germany. [Jackson, C. A.; Moetakef, P.; Janotti, A.; Bjaalie, L.; Himmetoglu, B.; Van de Walle, C. G.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Borek, S.; Minar, J.; Braun, J.; Ebert, H.] Univ Munich, Inst Phys Chem, Sophienstr 11, D-80539 Munich, Germany. [Minar, J.] Univ W Bohemia, New Technol Res Ctr, Plzen 30614, Czech Republic. [Plucinski, L.; Schneider, C. M.] Forschungszentrum Julich, Peter Grunberg Inst PGI 6, D-52425 Julich, Germany. [Balents, L.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [de Groot, F. M. F.] Univ Utrecht, Inorgan Chem & Catalysis, NL-3584 CG Utrecht, Netherlands. RP Nemsak, S (reprint author), Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. RI Rotenberg, Eli/B-3700-2009; Stemmer, Susanne/H-6555-2011; UEDA, Shigenori/H-2991-2011; Institute (DINS), Debye/G-7730-2014; Schmitt, Thorsten/A-7025-2010; Hloskovsky, Andrei/A-3009-2012; Schneider, Claus/H-7453-2012; Minar, Jan/O-3186-2013; Plucinski, Lukasz/J-4987-2013 OI Rotenberg, Eli/0000-0002-3979-8844; Stemmer, Susanne/0000-0002-3142-4696; Schneider, Claus/0000-0002-3920-6255; Minar, Jan/0000-0001-9735-8479; Plucinski, Lukasz/0000-0002-6865-7274 FU Multidisciplinary University Research Initiative program of the Army Research Office [W911-NF-09-1-0398]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DEAC02-05CH11231, DE-AC02-05CH11231]; US National Science Foundation (NSF) [DMR-1006640]; Federal Ministry of Education and Research [05KS7UM1, 05K10UMA, 05KS7WW3, 05K10WW1]; US Army Research Office [W911-NF-11-1-0232]; NSF Materials Research Science and Engineering Centers Program [DMR-1121053]; NSF [ACI-1053575, DMR-07-0072N]; Julich Research Center; Swedish Research Council; Royal Thai Government; Graduate Assistance in Areas of National Need program through University of California Davis Physics Department; Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; DOE Office of Basic Energy Sciences, Materials Science and Engineering Division through the University of California Davis [DE-SC0014697]; LabEx PALM program Investissements d'Avenir [ANR-10-LABX-0039]; Bundesministerium fur Bildung und Forschung [05K13WMA]; Centre of New Technologies and Materials (CENTEM) [CZ.1.05/2.1.00/03.0088]; CENTEM PLUS - European Regional Development Fund, through the Ministry of Education, Youth and Sports of the Czech Republic Operational Programme Research and Development for Innovation Programme [LO1402] FX Primary support for this paper is from the Multidisciplinary University Research Initiative program of the Army Research Office (Grant No. W911-NF-09-1-0398). The Advanced Light Source, A.B., W.C.S., and C.S.F. are supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under Contract No. DEAC02-05CH11231. P.M. was supported by the US National Science Foundation (NSF) (Grant No. DMR-1006640). The hard X-ray photoemission measurements at Beamline BL15XU of SPring-8 were performed under the approval of NIMS Synchrotron X-ray Station (Proposal No. 2011A4606). The hard x-ray photoelectron spectra instrument at Petra III beamline P09 is jointly operated by the University of Wurzburg (R. Claessen), the University of Mainz (C. Felser), and Deutsches Elektronen-Synchrotron. Funding by the Federal Ministry of Education and Research under Contracts No. 05KS7UM1, No. 05K10UMA, No. 05KS7WW3, and No. 05K10WW1 is gratefully acknowledged. A.J. and C.G.V.d.W. were supported by the US Army Research Office (Grant No. W911-NF-11-1-0232) and L.B. by the NSF Materials Research Science and Engineering Centers Program (Grant No. DMR-1121053). Computational resources were provided by the Extreme Science and Engineering Discovery Environment supported by NSF (Grants No. ACI-1053575 and No. DMR-07-0072N). S.N. received support in the completion of this paper from the Julich Research Center. G.K.P. also thanks the Swedish Research Council for financial support. A.R. was funded by the Royal Thai Government, and C.C. was funded by the Graduate Assistance in Areas of National Need program through University of California Davis Physics Department. C.S.F. has also been supported during the writing of this paper for salary by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231, by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under the same contract, as well as by Contract No. DE-SC0014697 from DOE Office of Basic Energy Sciences, Materials Science and Engineering Division through the University of California Davis, and by the LabEx PALM program Investissements d'Avenir overseen by the French National Research Agency (ANR) (project: ANR-10-LABX-0039). One-step theory calculations of J.M., J.B., and H.E. are supported by Bundesministerium fur Bildung und Forschung Project No. 05K13WMA, and J.M. also acknowledges support by the Centre of New Technologies and Materials (CENTEM) (CZ.1.05/2.1.00/03.0088) and CENTEM PLUS (LO1402), cofunded by the European Regional Development Fund, through the Ministry of Education, Youth and Sports of the Czech Republic Operational Programme Research and Development for Innovation Programme. NR 64 TC 1 Z9 1 U1 14 U2 45 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. 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M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Agnew, J. P. Alexeev, G. D. Alkhazov, G. Alton, A. Askew, A. Atkins, S. Augsten, K. Aushev, V. Aushev, Y. Avila, C. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Bartlett, J. F. Bassler, U. Bazterra, V. Bean, A. Begalli, M. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bhat, P. C. Bhatia, S. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Borysova, M. Brandt, A. Brandt, O. Brochmann, M. Brock, R. Bross, A. Brown, D. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Buszello, C. P. Camacho-Perez, E. Casey, B. C. K. Castilla-Valdez, H. Caughron, S. Chakrabarti, S. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Cuth, J. Cutts, D. Das, A. Davies, G. de Jong, S. J. 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Hohlfeld, M. Holzbauer, J. L. Howley, I. Hubacek, Z. Hynek, V. Iashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jayasinghe, A. Jeong, M. S. Jesik, R. Jiang, P. Johns, K. Johnson, E. Johnson, M. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kajfasz, E. Karmanov, D. Katsanos, I. Kaur, M. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kiselevich, I. Kohli, J. M. Kozelov, A. V. Kraus, J. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Lammers, S. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. Lei, X. Lellouch, J. Li, D. Li, H. Li, L. Li, Q. Z. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, H. Liu, Y. Lobodenko, A. Lokajicek, M. de Sa, R. Lopes Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Mansour, J. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Mondal, N. K. Mulhearn, M. Nagy, E. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Nguyen, H. T. Nunnemann, T. Orduna, J. Osman, N. Pal, A. Parashar, N. Parihar, V. Park, S. K. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Pleier, M. -A. Podstavkov, V. M. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Quadt, A. Quinn, B. Ratoff, P. N. Razumov, I. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. Sanchez-Hernandez, A. Sanders, M. P. Santos, A. S. Savage, G. Savitskyi, M. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schott, M. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shaw, S. Shchukin, A. A. Simak, V. Skubic, P. Slattery, P. Snow, G. R. Snow, J. Snyder, S. Soldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stefaniuk, N. Stoyanova, D. A. Strauss, M. Suter, L. Svoisky, P. Titov, M. Tokmenin, V. V. Tsai, Y. -T. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verkheev, A. Y. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weichert, J. Welty-Rieger, L. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yamada, R. Yang, S. Yasuda, T. Yatsunenko, Y. A. Ye, W. Ye, Z. Yin, H. Yip, K. Youn, S. W. Yu, J. M. Zennamo, J. Zhao, T. G. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA D0 Collaboration TI Measurement of the forward-backward asymmetries in the production of Xi and Omega baryons in p(p)over-bar collisions SO PHYSICAL REVIEW D LA English DT Article ID DETECTOR AB We measure the forward-backward asymmetries A(FB) of charged Xi and Omega baryons produced in p (p) over bar collisions recorded by the D0 detector at the Fermilab Tevatron collider at root s = 1.96 TeV as a function of the baryon rapidity y. We find that the asymmetries A(FB) for charged Xi and Omega baryons are consistent with zero within statistical uncertainties. C1 [Hensel, C.; Maciel, A. K. A.; Santos, A. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, BR-22290 Rio De Janeiro, RJ, Brazil. [Begalli, M.] Univ Estado Rio de Janeiro, BR-20550 Rio De Janeiro, RJ, Brazil. [Mercadante, P. G.] Univ Fed ABC, BR-09210 Santo Andre, SP, Brazil. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Negret, J. 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[Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; Neal, H. A.; Qian, J.; Yu, J. M.; Zhou, B.; Zhu, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Brock, R.; Caughron, S.; Edmunds, D.; Fisher, W.; Geng, W.; Johnson, E.; Linnemann, J.; Schwienhorst, R.] Michigan State Univ, E Lansing, MI 48824 USA. [Bhatia, S.; Holzbauer, J. L.; Kraus, J.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Harel, A.; Petrillo, G.; Slattery, P.; Tsai, Y. -T.; Zielinski, M.] Univ Rochester, 601 Elmwood Ave, Rochester, NY 14627 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Hobbs, J. D.; McCarthy, R.; Schamberger, R. D.; Tsybychev, D.; Ye, W.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Patwa, A.; Pleier, M. -A.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Jayasinghe, A.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Haley, J.; Hegab, H.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Schellman, H.] Oregon State Univ, Corvallis, OR 97331 USA. [Cutts, D.; Heintz, U.; Narain, M.; Orduna, J.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Das, A.; Ilchenko, Y.; Kehoe, R.; Liu, H.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Hogan, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Bandurin, D. V.; Hirosky, R.; Li, H.; Mulhearn, M.; Nguyen, H. T.; Svoisky, P.] Univ Virginia, Charlottesville, VA 22904 USA. [Brochmann, M.; Watts, G.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. RI Dudko, Lev/D-7127-2012; Gutierrez, Phillip/C-1161-2011; Li, Liang/O-1107-2015 OI Dudko, Lev/0000-0002-4462-3192; Li, Liang/0000-0001-6411-6107 FU Department of Energy (United States of America); National Science Foundation (United States of America); Alternative Energies and Atomic Energy Commission (France); National Center for Scientific Research/National Institute of Nuclear and Particle Physics (France); Ministry of Education and Science of the Russian Federation (Russia); National Research Center "Kurchatov Institute" of the Russian Federation (Russia); Russian Foundation for Basic Research (Russia); National Council for the Development of Science and Technology (Brazil); Carlos Chagas Filho Foundation State of Rio de Janeiro (Brazil); Department of Atomic Energy (India); Department of Science and Technology (India); Administrative Department of Science, Technology and Innovation (Colombia); National Council of Science and Technology (Mexico); National Research Foundation of Korea (Korea); Foundation for Fundamental Research on Matter (The Netherlands); Science and Technology Facilities Council; Royal Society (United Kingdom); Ministry of Education, Youth and Sports (Czech Republic); Bundesministerium fur Bildung und Forschung (Federal Ministry of Education and Research) (Germany); Deutsche Forschungsgemeinschaft (German Research Foundation) (Germany); Science Foundation Ireland (Ireland); Swedish Research Council (Sweden); Chinese Academy of Sciences (China); Natural Science Foundation of China (China); Ministry of Education and Science of Ukraine (Ukraine) FX We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the Department of Energy and National Science Foundation (United States of America); Alternative Energies and Atomic Energy Commission and National Center for Scientific Research/National Institute of Nuclear and Particle Physics (France); Ministry of Education and Science of the Russian Federation, National Research Center "Kurchatov Institute" of the Russian Federation, and Russian Foundation for Basic Research (Russia); National Council for the Development of Science and Technology and Carlos Chagas Filho Foundation for the Support of Research in the State of Rio de Janeiro (Brazil); Department of Atomic Energy and Department of Science and Technology (India); Administrative Department of Science, Technology and Innovation (Colombia); National Council of Science and Technology (Mexico); National Research Foundation of Korea (Korea); Foundation for Fundamental Research on Matter (The Netherlands); Science and Technology Facilities Council and The Royal Society (United Kingdom); Ministry of Education, Youth and Sports (Czech Republic); Bundesministerium fur Bildung und Forschung (Federal Ministry of Education and Research) and Deutsche Forschungsgemeinschaft (German Research Foundation) (Germany); Science Foundation Ireland (Ireland); Swedish Research Council (Sweden); Chinese Academy of Sciences and National Natural Science Foundation of China (China); and Ministry of Education and Science of Ukraine (Ukraine). NR 9 TC 0 Z9 0 U1 7 U2 16 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 JUN 1 PY 2016 VL 93 IS 11 AR 112001 DI 10.1103/PhysRevD.93.112001 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DN3XX UT WOS:000376998700001 ER PT J AU van den Berg, R Wouters, B Eliens, S De Nardis, J Konik, RM Caux, JS AF van den Berg, R. Wouters, B. Eliens, S. De Nardis, J. Konik, R. M. Caux, J. -S. TI Separation of Time Scales in a Quantum Newton's Cradle SO PHYSICAL REVIEW LETTERS LA English DT Article ID BOSE-EINSTEIN CONDENSATE; IMPENETRABLE BOSONS; ULTRACOLD GASES; SYSTEMS; EXCITATIONS; COLLOQUIUM; SCATTERING; LIQUIDS; WAVES; STATE AB We provide detailed modeling of the Bragg pulse used in quantum Newton's-cradle-like settings or in Bragg spectroscopy experiments for strongly repulsive bosons in one dimension. We reconstruct the postpulse time evolution and study the time-dependent local density profile and momentum distribution by a combination of exact techniques. We further provide a variety of results for finite interaction strengths using a time-dependent Hartree-Fock analysis and bosonization-refermionization techniques. Our results display a clear separation of time scales between rapid and trap-insensitive relaxation immediately after the pulse, followed by slow in-trap periodic behavior. C1 [van den Berg, R.; Wouters, B.; Eliens, S.; De Nardis, J.; Caux, J. -S.] Univ Amsterdam, Inst Theoret Phys, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. [Konik, R. M.] Brookhaven Natl Lab, CMPMS Dept, Bldg 734, Upton, NY 11973 USA. RP Caux, JS (reprint author), Univ Amsterdam, Inst Theoret Phys, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. EM J.S.Caux@uva.nl RI Konik, Robert/L-8076-2016 OI Konik, Robert/0000-0003-1209-6890 FU Netherlands Organisation for Scientific Research (NWO); Foundation for Fundamental Research on Matter (FOM); U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Basic Energy Sciences; Centre de Recherches Mathematiques of the Universite de Montreal FX We thank M. Brockmann, E. A. Demler, N. J. van Druten, V. Gritsev, F. Meinert, H.-C. Nagerl, J. Schmiedmayer, F. E. Schreck, D. Weiss, and J. van Wezel for useful discussions. This work was supported by the Netherlands Organisation for Scientific Research (NWO) and the Foundation for Fundamental Research on Matter (FOM), and forms part of the activities of the Delta-Institute for Theoretical Physics (D-ITP). The contribution to this work by R. M. K. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. R. v. d. B. also acknowledges support for visiting the CMPMS Division at Brookhaven National Lab, a facility supported by the U.S. Department of Energy, Office of Basic Energy Sciences. We are grateful for support from the Centre de Recherches Mathematiques of the Universite de Montreal. NR 53 TC 4 Z9 4 U1 6 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUN 1 PY 2016 VL 116 IS 22 AR 225302 DI 10.1103/PhysRevLett.116.225302 PG 6 WC Physics, Multidisciplinary SC Physics GA DN4DN UT WOS:000377013300003 PM 27314723 ER PT J AU Park, SY Love, TMT Perelson, AS Mack, WJ Lee, HY AF Park, Sung Yong Love, Tanzy M. T. Perelson, Alan S. Mack, Wendy J. Lee, Ha Youn TI Molecular clock of HIV-1 envelope genes under early immune selection SO RETROVIROLOGY LA English DT Article DE HIV-1; Envelope gene; Molecular clock; Mathematical model ID IMMUNODEFICIENCY-VIRUS TYPE-1; EVOLUTIONARY RATES; INCIDENCE ASSAY; FOUNDER VIRUS; IN-VIVO; INFECTION; ESCAPE; DYNAMICS; ANTIBODY; DIVERSITY AB Background: The molecular clock hypothesis that genes or proteins evolve at a constant rate is a key tool to reveal phylogenetic relationships among species. Using the molecular clock, we can trace an infection back to transmission using HIV-1 sequences from a single time point. Whether or not a strict molecular clock applies to HIV-1's early evolution in the presence of immune selection has not yet been fully examined. Results: We identified molecular clock signatures from 1587 previously published HIV-1 full envelope gene sequences obtained since acute infection in 15 subjects. Each subject's sequence diversity linearly increased during the first 150 days post infection, with rates ranging from 1.54 x 10(-5) to 3.91 x 10(-5) with a mean of 2.69 x 10(-5) per base per day. The rate of diversification for 12 out of the 15 subjects was comparable to the neutral evolution rate. While temporal diversification was consistent with evolution patterns in the absence of selection, mutations from the founder virus were highly clustered on statistically identified selection sites, which diversified more than 65 times faster than non-selection sites. By mathematically quantifying deviations from the molecular clock under various selection scenarios, we demonstrate that the deviation from a constant clock becomes negligible as multiple escape lineages emerge. The most recent common ancestor of a virus pair from distinct escape lineages is most likely the transmitted founder virus, indicating that HIV-1 molecular dating is feasible even after the founder viruses are no longer detectable. Conclusions: The ability of HIV-1 to escape from immune surveillance in many different directions is the driving force of molecular clock persistence. This finding advances our understanding of the robustness of HIV-1's molecular clock under immune selection, implying the potential for molecular dating. C1 [Park, Sung Yong; Lee, Ha Youn] Univ So Calif, Keck Sch Med, Dept Mol Microbiol & Immunol, 1450 Biggy St, Los Angeles, CA 90089 USA. [Love, Tanzy M. T.] Univ Rochester, Dept Biostat & Computat Biol, Rochester, NY 14642 USA. [Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM 87545 USA. [Mack, Wendy J.] Univ So Calif, Keck Sch Med, Dept Prevent Med, Los Angeles, CA 90089 USA. RP Lee, HY (reprint author), Univ So Calif, Keck Sch Med, Dept Mol Microbiol & Immunol, 1450 Biggy St, Los Angeles, CA 90089 USA. EM hayoun@usc.edu FU NIH [R01-AI083115, R01-AI095066, R01-AI028433, R01-0D011095, UM1-AI100645]; US Department of Energy [DE-AC52-06NA25396] FX This work was supported by NIH Grants R01-AI083115 and R01-AI095066 (HYL). Portions of this work were done under the auspices of the US Department of Energy under Contract DE-AC52-06NA25396 and supported by NIH Grants R01-AI028433, R01-0D011095 and UM1-AI100645 (ASP). NR 52 TC 1 Z9 1 U1 5 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1742-4690 J9 RETROVIROLOGY JI Retrovirology PD JUN 1 PY 2016 VL 13 AR 38 DI 10.1186/s12977-016-0269-6 PG 12 WC Virology SC Virology GA DN6LX UT WOS:000377187400001 PM 27246201 ER PT J AU Mandal, P Noutsi, P Chaieb, S AF Mandal, Pritam Noutsi, Pakiza Chaieb, Sahraoui TI Cholesterol Depletion from a Ceramide/Cholesterol Mixed Monolayer: A Brewster Angle Microscope Study SO SCIENTIFIC REPORTS LA English DT Article ID METHYL-BETA-CYCLODEXTRIN; SURFACE-PLASMON RESONANCE; LIPID RAFTS; PULMONARY SURFACTANT; MEDIATED REMOVAL; FATTY-ACIDS; MEMBRANES; CERAMIDE; ORGANIZATION; PHOSPHOLIPIDS AB Cholesterol is crucial to the mechanical properties of cell membranes that are important to cells' behavior. Its depletion from the cell membranes could be dramatic. Among cyclodextrins (CDs), methyl beta cyclodextrin (M beta CD) is the most efficient to deplete cholesterol (Chol) from biomembranes. Here, we focus on the depletion of cholesterol from a C16 ceramide/cholesterol (C16-Cer/Chol) mixed monolayer using M beta CD. While the removal of cholesterol by M beta CD depends on the cholesterol concentration in most mixed lipid monolayers, it does not depend very much on the concentration of cholesterol in C16-Cer/Chol monolayers. The surface pressure decay during depletion were described by a stretched exponential that suggested that the cholesterol molecules are unable to diffuse laterally and behave like static traps for the M beta CD molecules. Cholesterol depletion causes morphology changes of domains but these disrupted monolayers domains seem to reform even when cholesterol level was low. C1 [Mandal, Pritam; Noutsi, Pakiza; Chaieb, Sahraoui] KAUST, Biol & Environm Sci & Engn, Thuwal 23955, Saudi Arabia. [Chaieb, Sahraoui] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Mailstop 6R-2100, Berkeley, CA 94720 USA. RP Chaieb, S (reprint author), KAUST, Biol & Environm Sci & Engn, Thuwal 23955, Saudi Arabia.; Chaieb, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Mailstop 6R-2100, Berkeley, CA 94720 USA. EM sahraoui.chaieb@kaust.edu.sa FU King Abdullah University for Science and Technology (KAUST) FX We thank King Abdullah University for Science and Technology (KAUST) for financial support. S.C. Thanks Itamar Procaccia for helpful discussions. NR 51 TC 1 Z9 1 U1 1 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUN 1 PY 2016 VL 6 AR 26907 DI 10.1038/srep26907 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DN6BI UT WOS:000377155700001 PM 27245215 ER PT J AU Pesko, DM Jung, Y Hasan, AL Webb, MA Coates, GW Miller, TF Balsara, NP AF Pesko, Danielle M. Jung, Yukyung Hasan, Alexandra L. Webb, Michael A. Coates, Geoffrey W. Miller, Thomas F., III Balsara, Nitash P. TI Effect of monomer structure on ionic conductivity in a systematic set of polyester electrolytes SO SOLID STATE IONICS LA English DT Article DE Ionic conductivity; Polymer electrolyte; Monomer structure; Polyester; PEO ID MOLECULAR-DYNAMICS SIMULATIONS; CO-ETHYLENE OXIDE); POLYMER ELECTROLYTES; LITHIUM PERCHLORATE; POLY(ETHYLENE SUCCINATE); SOLID ELECTROLYTES; COMPLEXES; TRANSPORT; BATTERIES; WEIGHT AB Polymer electrolytes may enable the next generation of lithium ion batteries with improved energy density and safety. Predicting the performance of new ion-conducting polymers is difficult because ion transport depends on a variety of interconnected factors which are affected by monomer structure: interactions between the polymer chains and the salt, extent of dissociation of the salt, and dynamics in the vicinity of ions. In an attempt to unravel these factors, we have conducted a systematic study of the dependence of monomer structure on ionic conductivity, sigma, and glass transition temperature, T-g, using electrolytes composed of aliphatic polyesters and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt. The properties of these electrolytes were compared to those of polyethylene oxide) (PEO), a standard polymer electrolyte for lithium batteries. We define a new measure of salt concentration, rho, the number of lithium ions per unit length of the monomer backbone. This measure enables collapse of the dependence of both the crand T-g on salt concentration for all polymers (polyesters and PEO). Analysis based on the Vogel-Tammann-Fulcher (VTF) equation reveals the effect of different oxygen atoms on ion transport. The VTF fits were used to factor out the effect of segmental motion in order to clarify the relationship between molecular structure and ionic conductivity. While the conductivity of the newly-developed polyesters was lower than that of PEO, our study provides new insight into the relationship between ion transport and monomer structure in polymer electrolytes. Published by Elsevier B.V. C1 [Pesko, Danielle M.; Hasan, Alexandra L.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Jung, Yukyung; Coates, Geoffrey W.] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Webb, Michael A.; Miller, Thomas F., III] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Balsara, NP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Balsara, NP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu FU National Science Foundation [NSF-CHE-1335486]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the National Science Foundation under DMREF award number NSF-CHE-1335486. DSC experiments were performed at the Molecular Foundry user facilities at Lawrence Berkeley National Laboratory supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 37 TC 4 Z9 4 U1 16 U2 35 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 EI 1872-7689 J9 SOLID STATE IONICS JI Solid State Ion. PD JUN PY 2016 VL 289 BP 118 EP 124 DI 10.1016/j.ssi.2016.02.020 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DM9RW UT WOS:000376704400015 ER PT J AU Barefield, JE Judge, EJ Campbell, KR Colgan, JP Kilcrease, DP Johns, HM Wiens, RC McInroy, RE Martinez, RK Clegg, SM AF Barefield, James E., II Judge, Elizabeth J. Campbell, Keri R. Colgan, James P. Kilcrease, David P. Johns, Heather M. Wiens, Roger C. McInroy, Rhonda E. Martinez, Ronald K. Clegg, Samuel M. TI Analysis of geological materials containing uranium using laser -induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Laser-induced breakdown spectroscopy; Uranium; Geological analysis; Limit of detection; Spectrometer resolving power ID CHEMCAM INSTRUMENT SUITE; LIBS; PLASMA; UNIT AB Laser induced breakdown spectroscopy (LIBS) is a rapid atomic emission spectroscopy technique that can be configured for a variety of applications including space, forensics, and industry. LIBS can also be configured for standoff distances or in-situ, under vacuum, high pressure, atmospheric or different gas environments, and with different resolving-power spectrometers. The detection of uranium in a complex geological matrix under different measurement schemes is explored in this paper. Although many investigations have been completed in an attempt to detect and quantify uranium in different matrices at in-situ and standoff distances, this work detects and quantifies uranium in a complex matrix under Martian and ambient air conditions. Investigation of uranium detection using a low resolving-power LIBS system at stand-off distances (1.6 m) is also reported. The results are compared to an in-situ LIBS system with medium resolving power and under ambient air conditions. Uranium has many thousands of emission lines in the 200-800 nm spectral region. In the presence of other matrix elements and at lower concentrations, the limit of detection of uranium is significantly reduced. The two measurement methods (low and high resolving-power spectrometers) are compared for limit of detection (LOD). Of the twenty-one potential diagnostic uranium emission lines, seven (409, 424, 434, 435, 436, 591, and 682 nm) have been used to determine the LOD for pitchblende in a dunite matrix using the ChemCam test bed LIBS system. The LOD values determined for uranium transitions in air are 409.013 nm (24,700 ppm), 424.167 nm (23,780 ppm), 434.169 nm (24,390 ppm), 435.574 nm (35,880 ppm), 436.205 nm (19,340 ppm), 591.539 nm (47,310 ppm), and 682.692 nm (18,580 ppm). The corresponding LOD values determined for uranium transitions in 7 Torr CO2 are 424.167 nm (25,760 ppm), 434.169 nm (40,800 ppm), 436.205 nm (32,050 ppm), 591.539 nm (15,340 ppm), and 682.692 nm (29,080 ppm). The LOD values determine for uranium emission lines using the medium resolving power (10,000 lambda/Delta lambda) LIBS system for the dunite matrix in air are 409.013 nm (6120 ppm), 424.167 nm (5356 ppm), 434.169 nm (5693 ppm), 435.574 nm (6329 ppm), 436.205 nm (2142 ppm), and 682.692 nm (10,741 ppm). The corresponding LOD values determined for uranium transitions in a SiO2 matrix are 409.013 nm (272 ppm), 424.167 nm (268 ppm), 434.169 nm (402 ppm), 435.574 nm (1067 ppm), 436.205 nm (482 ppm), and 682.692 nm (720 ppm). The impact of spectral resolution, atmospheric conditions, matrix elements, and measurement distances on LOD is discussed. The measurements will assist one in selecting the proper system components based upon the application and the required analytical performance. (C) 2016 Elsevier B.V. All rights reserved. C1 [Barefield, James E., II; Judge, Elizabeth J.; Campbell, Keri R.; Martinez, Ronald K.] Los Alamos Natl Lab, Chem Diagnost & Engn, POB 1663, Los Alamos, NM 87545 USA. [McInroy, Rhonda E.; Clegg, Samuel M.] Los Alamos Natl Lab, Phys Chem & Appl Spect, POB 1663, Los Alamos, NM 87545 USA. [Colgan, James P.; Kilcrease, David P.; Johns, Heather M.] Los Alamos Natl Lab, Phys & Chem Mat, POB 1663, Los Alamos, NM 87545 USA. [Wiens, Roger C.] Los Alamos Natl Lab, Space & Remote Sensing, POB 1663, Los Alamos, NM 87545 USA. RP Campbell, KR (reprint author), Los Alamos Natl Lab, Chem Diagnost & Engn, POB 1663, Los Alamos, NM 87545 USA. EM kcampbell@lanl.gov OI Barefield, James/0000-0001-8674-6214 FU U.S. DOE [DE-AC5206NA25396]; Laboratory Directed Research and Development (LDRD) FX The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the NNSA of the U.S. DOE under contract no. DE-AC5206NA25396. This work was carried out under Laboratory Directed Research and Development (LDRD) funding. The authors would also like to acknowledge DTRA for past support. NR 31 TC 2 Z9 3 U1 6 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD JUN 1 PY 2016 VL 120 BP 1 EP 8 DI 10.1016/j.sab.2016.03.012 PG 8 WC Spectroscopy SC Spectroscopy GA DN1ON UT WOS:000376835400001 ER PT J AU Mezzacappa, A Melikechi, N Cousin, A Wiens, RC Lasue, J Clegg, SM Tokar, R Bender, S Lanza, NL Maurice, S Berger, G Forni, O Gasnault, O Dyar, MD Boucher, T Lewin, E Fabre, C AF Mezzacappa, A. Melikechi, N. Cousin, A. Wiens, R. C. Lasue, J. Clegg, S. M. Tokar, R. Bender, S. Lanza, N. L. Maurice, S. Berger, G. Forni, O. Gasnault, O. Dyar, M. D. Boucher, T. Lewin, E. Fabre, C. CA MSL Sci Team TI Application of distance correction to ChemCam laser-induced breakdown spectroscopy measurements SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Stand-off laser-induced breakdown spectroscopy (ST-LIBS); Mars; Dust; Calibration; Geological analysis ID INSTRUMENT SUITE; GALE CRATER; REMOTE; LIBS; MARS; EMISSIONS; SPECTRA; SAMPLES; PLASMA; UNIT AB Laser-induced breakdown spectroscopy (LIBS) provides chemical information from atomic, ionic, and molecular emissions from which geochemical composition can be deciphered. Analysis of LIBS spectra in cases where targets are observed at different distances, as is the case for the ChemCam instrument on the Mars rover Curiosity, which performs analyses at distances between 2 and 7.4 m is not a simple task. In our previous work we showed that spectral distance correction based on a proxy spectroscopic standard created from first-shot dust observations on Mars targets ameliorates the distance bias in multivariate-based elemental-composition predictions of laboratory data. In this work, we correct an expanded set of neutral and ionic spectral emissions for distance bias in the ChemCam data set. By using and testing different selection criteria to generate multiple proxy standards, we find a correction that minimizes the difference in spectral intensity measured at two different distances and increases spectral reproducibility. When the quantitative performance of distance correction is assessed, there is improvement for SiO2, Al2O3, CaO, FeOT, Na2O, K2O, that is, for most of the major rock forming elements, and for the total major-element weight percent predicted. However, for MgO the method does not provide improvements while for TiO2, it yields inconsistent results. In addition, we have observed that many emission lines do not behave consistently with distance, evidenced from laboratory analogue measurements and ChemCam data. This limits the effectiveness of the method. (C) 2016 Elsevier B.V. All rights reserved. C1 [Mezzacappa, A.; Melikechi, N.] Delaware State Univ, Opt Sci Ctr Appl Res, Dover, DE 19901 USA. [Cousin, A.; Wiens, R. C.; Clegg, S. M.; Lanza, N. L.] Los Alamos Natl Lab, Los Alamos, NM USA. [Lasue, J.; Maurice, S.; Berger, G.; Forni, O.; Gasnault, O.] Univ Toulouse 3, IRAP, F-31062 Toulouse, France. [Tokar, R.; Bender, S.] Planetary Sci Inst, Flagstaff, AZ USA. [Dyar, M. D.; Boucher, T.] Mt Holyoke Coll, Dept Astron, S Hadley, MA 01075 USA. [Lewin, E.] Univ Grenoble 1, CNRS, Inst Sci Terre, Grenoble, France. [Fabre, C.] CNRS, Georessources, Vandoeuvre Les Nancy, France. RP Melikechi, N (reprint author), Delaware State Univ, 1200 N DuPont Hwy, Dover, DE 19901 USA. EM nmelikechi@desu.edu RI Gonzalez, Rafael/D-1748-2009; BERGER, Gilles/F-7118-2016; Ramos, Miguel/K-2230-2014; LEWIN, Eric/F-1451-2017; OI Ramos, Miguel/0000-0003-3648-6818; Clegg, Sam/0000-0002-0338-0948 FU NASA grants [NNX09AU90A, NNX15AP84A]; Delaware Space Grant [NNX10AN63H] FX This work is supported by the NASA grants (NNX09AU90A and NNX15AP84A) and the Delaware Space Grant (NNX10AN63H). NR 38 TC 0 Z9 0 U1 9 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD JUN 1 PY 2016 VL 120 BP 19 EP 29 DI 10.1016/j.sab.2016.03.009 PG 11 WC Spectroscopy SC Spectroscopy GA DN1ON UT WOS:000376835400003 ER PT J AU Li, P Pan, SY Pei, S Lin, YPJ Chiang, PC AF Li, Ping Pan, Shu-Yuan Pei, Silu Lin, Yupo J. Chiang, Pen-Chi TI Challenges and Perspectives on Carbon Fixation and Utilization Technologies: An Overview SO AEROSOL AND AIR QUALITY RESEARCH LA English DT Review DE Microalgae; Open pond; Alkaline solid wastes; Carbonation; Supplementary cementitious materials ID ROTATING PACKED-BED; ACCELERATED MINERAL CARBONATION; LIFE-CYCLE ASSESSMENT; STAINLESS-STEEL SLAG; COAL FLY-ASH; CO2 CAPTURE; STEELMAKING SLAG; RACEWAY PONDS; ALGAL PRODUCTIVITY; WASTE MATERIALS AB This paper provides an overview of state-of-the-art carbon fixation and utilization technologies. Several carbon capture processes, such as chemical absorption and chemical looping, are reviewed and illustrated. In addition, various types of chemicals and fuels that can be produced using concentrated CO2 (or other forms) through physical, chemical, or enhanced biological methods are presented. Among those carbon conversion methods, two promising approaches, i.e., microalgae ponds and accelerated carbonation using alkaline solid wastes, are reviewed in detail. Microalgae are fast-growing and ubiquitous photosynthetic organisms, which are rich in protein and can be converted to biodiesel fuel. They have been recognized as an alternative feedstock not only because they use CO2 from the atmosphere but also due to their high lipid content per biomass compared to other plants. In this study, for the microalgae technologies, the principles and applications of open pond systems are discussed in terms of both technological and economic considerations. The important operation parameters affecting productivity of microalgae, including light intensity, temperature, mixing, CO2 delivery, accumulation of dissolved oxygen, and salinity are summarized. On the other hand, accelerated carbonation technologies are an attractive and feasible approach to integrating alkaline solid waste treatment with CO2 fixation and utilization. In this study, the performance of various carbonation processes is critically reviewed from the perspectives of process design, energy consumption, and environmental benefits. The carbonated solid product can also be used as supplementary cementitious materials in a blended cement or concrete block. Accordingly, the performance of cement pastes with carbonated product, in terms of workability and strength development, are evaluated from the cement chemistry point of view. Cement manufacturing is an energy and material intensive process, with high annual production. It is noted that, through the accelerated carbonation process, significant indirect environmental benefits can be realized. C1 [Li, Ping; Chiang, Pen-Chi] S China Univ Technol, Sch Environm & Energy, Guangzhou 510006, Guangdong, Peoples R China. [Pan, Shu-Yuan; Pei, Silu; Chiang, Pen-Chi] Natl Taiwan Univ, Grad Inst Environm Engn, Taipei 10673, Taiwan. [Pan, Shu-Yuan; Lin, Yupo J.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Chiang, Pen-Chi] Natl Taiwan Univ, Carbon Cycle Res Ctr, Taipei 10673, Taiwan. RP Chiang, PC (reprint author), S China Univ Technol, Sch Environm & Energy, Guangzhou 510006, Guangdong, Peoples R China.; Chiang, PC (reprint author), Natl Taiwan Univ, Grad Inst Environm Engn, Taipei 10673, Taiwan.; Chiang, PC (reprint author), Natl Taiwan Univ, Carbon Cycle Res Ctr, Taipei 10673, Taiwan. EM pcchiang@ntu.edu.tw RI Pan, Shu-Yuan/A-3199-2017 OI Pan, Shu-Yuan/0000-0003-2082-4077 FU Ministry of Science and Technology (MOST) of Taiwan (R.O.C.) [MOST 105-3113-E-007-001, 103-2911-I-002-596]; Argonne, a US Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX Much appreciation goes to the Ministry of Science and Technology (MOST) of Taiwan (R.O.C.) under Grant Number MOST 105-3113-E-007-001 and 103-2911-I-002-596 for the financial support. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under contract no. DE-AC02-06CH11357. The US Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the government. NR 139 TC 5 Z9 5 U1 24 U2 46 PU TAIWAN ASSOC AEROSOL RES-TAAR PI TAICHUNG COUNTY PA CHAOYANG UNIV TECH, DEPT ENV ENG & MGMT, PROD CTR AAQR, NO 168, JIFONG E RD, WUFONG TOWNSHIP, TAICHUNG COUNTY, 41349, TAIWAN SN 1680-8584 EI 2071-1409 J9 AEROSOL AIR QUAL RES JI Aerosol Air Qual. Res. PD JUN PY 2016 VL 16 IS 6 BP 1327 EP 1344 DI 10.4209/aaqr.2015.12.0698 PG 18 WC Environmental Sciences SC Environmental Sciences & Ecology GA DM7CS UT WOS:000376512100001 ER PT J AU Morajkar, RR Klomparens, RL Eagle, WE Driscoll, JF Gamba, M Benek, JA AF Morajkar, Rohan R. Klomparens, Robin L. Eagle, W. Ethan Driscoll, James F. Gamba, Mirko Benek, John A. TI Relationship Between Intermittent Separation and Vortex Structure in a Three-Dimensional Shock/Boundary-Layer Interaction SO AIAA JOURNAL LA English DT Article; Proceedings Paper CT 52nd AIAA Aerospace Sciences Meeting CY JAN 12-18, 2014 CL National Harbor, MD SP AIAA ID TURBULENT BOUNDARY-LAYER; LOW-FREQUENCY UNSTEADINESS; TRANSONIC CHANNEL FLOWS; SHOCK-WAVE; SWEPT-SHOCK; IDENTIFICATION; CORNER; TOPOLOGY; MODEL; DUCT AB The relationship between the three-dimensional vortex structures and flow-separation zones generated by a shock wave/boundary-layer interaction within a low-aspect-ratio duct was studied using stereoscopic particle imaging velocimetry measurements. In this configuration, the interaction of the incident shock with all walls was important in controlling the flowfield; the three interactions coupled to produce a strongly distorted flowfield. Conditional sampling was used to construct the local probability of reverse flow maps, and thus quantify the distribution of regions of intermittent separation on both bottom-walls and side-walls. The latter regions were found to be significantly larger and more likely to separate than the former. Thus, it was concluded that the sidewall and corner flow interactions dominate in this configuration. A triple decomposition of motion was used to construct a three-dimensional representation of the vortex features generated by the interaction. The results indicated that the flowfield was dominated by three vortex systems: 1)the vortex associated with the sidewall swept-shock interaction; 2)a complex, possibly branched, vortex pair induced on the bottom wall; and 3)a vortex pair induced by the flow at the corner, which coupled the two interactions. The role of the three vortex systems on the onset of flow separation was also explored and discussed. C1 [Morajkar, Rohan R.; Klomparens, Robin L.; Driscoll, James F.; Gamba, Mirko] Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. [Eagle, W. Ethan] Univ Michigan, Ann Arbor, MI 48109 USA. [Benek, John A.] US Air Force, Res Lab, Computat Sci Ctr, AFRL Aerosp Syst Directorate, Wright Patterson AFB, OH 45433 USA. [Eagle, W. Ethan] Sandia Natl Labs, Livermore, CA 94550 USA. RP Morajkar, RR (reprint author), Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. OI Eagle, W. Ethan/0000-0002-1425-0778 NR 67 TC 0 Z9 0 U1 6 U2 11 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 EI 1533-385X J9 AIAA J JI AIAA J. PD JUN PY 2016 VL 54 IS 6 BP 1862 EP 1880 DI 10.2514/1.J053905 PG 19 WC Engineering, Aerospace SC Engineering GA DM9FP UT WOS:000376670800004 ER PT J AU Pace, S Ceballos, SJ Harrold, D Stannard, W Simmons, BA Singer, SW Thelen, MP VanderGheynst, JS AF Pace, Sara Ceballos, Shannon J. Harrold, Duff Stannard, Whitney Simmons, Blake A. Singer, Steven W. Thelen, Michael P. VanderGheynst, Jean S. TI Enrichment of microbial communities tolerant to the ionic liquids tetrabutylphosphonium chloride and tributylethylphosphonium diethylphosphate SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Phosphoniumionic liquids; Microbial communities; Bioenergy; High-solids; Pretreatment; Storage ID THERMOPHILIC BACTERIAL CONSORTIA; ORGANIC-MATTER; SWITCHGRASS; POPULATIONS; FEEDSTOCKS; DIVERSITY; DYNAMICS; SOIL AB The aims of this study were to identify thermophilic microbial communities that degrade green waste in the presence of the ionic liquids (IL) tetrabutylphosphonium chloride and tributylethylphosphonium diethylphosphate and examine preservation methods for IL-tolerant communities. High-solids incubations with stepwise increases in IL concentration were conducted to enrich for thermophilic IL-tolerant communities that decomposed green waste. 16S rRNA sequencing of enriched communities revealed microorganisms capable of tolerating high levels of IL. Cryogenic preservation of enriched communities reduced the IL tolerance of the community and decreased the relative abundance of IL-tolerant organisms. The use of cryoprotectants did not have an effect on microbial activity on green waste of the stored community. A successful approach was developed to enrich communities that decompose green waste in thermophilic high-solids environments in the presence of IL. Alternative community storage and revival methods are necessary for maintenance and recovery of IL-tolerant communities. The enriched communities provide a targeted source of enzymes for the bioconversion of IL-pretreated green waste for conversion to biofuels. C1 [Pace, Sara; Ceballos, Shannon J.; Harrold, Duff; VanderGheynst, Jean S.] Univ Calif Davis, Dept Biol & Agr Engn, One Shields Ave, Davis, CA 95616 USA. [Stannard, Whitney; Thelen, Michael P.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Simmons, Blake A.; Singer, Steven W.; Thelen, Michael P.; VanderGheynst, Jean S.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP VanderGheynst, JS (reprint author), Univ Calif Davis, Dept Biol & Agr Engn, One Shields Ave, Davis, CA 95616 USA.; VanderGheynst, JS (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM jsvander@ucdavis.edu RI Thelen, Michael/G-2032-2014 OI Thelen, Michael/0000-0002-2479-5480 FU National Institute of Food and Agriculture [CA-D-BAE-2228-RR]; UC Lab Fees Research Program [237496]; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; NSF [DGE-0948021]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by National Institute of Food and Agriculture project CA-D-BAE-2228-RR, the UC Lab Fees Research Program under project #237496 and completed as part of the Joint BioEnergy Institute, supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. Sara Pace and Duff Harrold were partially supported by the NSF GK-12 project under DGE-0948021. Sequencing was conducted by the Joint Genome Institute, which is supported by the Office of Science of the US Department of Energy under Contract DE-AC02-05CH11231. NR 34 TC 1 Z9 1 U1 3 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 EI 1432-0614 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD JUN PY 2016 VL 100 IS 12 BP 5639 EP 5652 DI 10.1007/s00253-016-7525-5 PG 14 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA DM6JB UT WOS:000376456700037 PM 27102129 ER PT J AU Chiang, NY Zavala, VM AF Chiang, Nai-Yuan Zavala, Victor M. TI An inertia-free filter line-search algorithm for large-scale nonlinear programming SO COMPUTATIONAL OPTIMIZATION AND APPLICATIONS LA English DT Article DE Inertia; Nonlinear programming; Filter line-search; Nonconvex; Large-scale ID EQUALITY CONSTRAINED OPTIMIZATION; SADDLE-POINT PROBLEMS; PARAMETER-ESTIMATION; PARALLEL SOLUTION; SYSTEMS; SOLVER; MODEL AB We present a filter line-search algorithm that does not require inertia information of the linear system. This feature enables the use of a wide range of linear algebra strategies and libraries, which is essential to tackle large-scale problems on modern computing architectures. The proposed approach performs curvature tests along the search step to detect negative curvature and to trigger convexification. We prove that the approach is globally convergent and we implement the approach within a parallel interior-point framework to solve large-scale and highly nonlinear problems. Our numerical tests demonstrate that the inertia-free approach is as efficient as inertia detection via symmetric indefinite factorizations. We also demonstrate that the inertia-free approach can lead to reductions in solution time because it reduces the amount of convexification needed. C1 [Chiang, Nai-Yuan] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Zavala, Victor M.] Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Hall, Madison, WI 53706 USA. RP Zavala, VM (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Hall, Madison, WI 53706 USA. EM nychiang@mcs.anl.gov; victor.zavala@wisc.edu FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program [DE-AC02-06CH11357]; DOE Office of Science under the Early Career program 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 No. DE-AC02-06CH11357. We thank Frank Curtis and Jorge Nocedal for technical discussions. Victor M. Zavala acknowledges funding from the DOE Office of Science under the Early Career program. We also acknowledge the computing resources provided by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 45 TC 1 Z9 1 U1 5 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0926-6003 EI 1573-2894 J9 COMPUT OPTIM APPL JI Comput. Optim. Appl. PD JUN PY 2016 VL 64 IS 2 BP 327 EP 354 DI 10.1007/s10589-015-9820-y PG 28 WC Operations Research & Management Science; Mathematics, Applied SC Operations Research & Management Science; Mathematics GA DN2CY UT WOS:000376872900001 ER PT J AU Turner, AK Kim, FH Penumadu, D Herbold, EB AF Turner, Anne K. Kim, Felix H. Penumadu, Dayakar Herbold, Eric B. TI Meso-scale framework for modeling granular material using computed tomography SO COMPUTERS AND GEOTECHNICS LA English DT Article DE Granular material; Finite element method; Meso-scale model; Computed tomography; Contact forces; Particle shape ID DISCRETE ELEMENT; NUMERICAL-SIMULATION AB Numerical modeling of unconsolidated granular materials is comprised of multiple nonlinear phenomena. Accurately capturing these phenomena, including intergranular forces and grain deformation, depends on resolving contact regions several orders of magnitude smaller than the grain size. Here, we investigate a method for capturing the morphology of the individual particles using computed X-ray tomography, which allows for accurate characterization of the interaction between grains. Additionally, the ability of these numerical approaches to determine stress concentrations at grain contacts is important in order to capture catastrophic splitting of individual grains, which has been shown to play a key role in the plastic behavior of the granular material on the continuum level. Samples of Ottawa sand are numerically modeled under one-dimensional compression loadings in order to determine the effect of discretization approaches, such as mesh refinement, on the resulting stress concentrations at contact points between grains. The effects of grain coordination number and finite element type selection on these stress concentrations are also investigated. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Turner, Anne K.; Kim, Felix H.; Penumadu, Dayakar] Univ Tennessee, Dept Civil & Environm Engn, 325 John D Tickle Bldg, Knoxville, TN 37996 USA. [Herbold, Eric B.] Lawrence Livermore Natl Lab, Computat Geosci, Atmospher Earth & Energy Div, 7000 East Ave,L-286,Bldg 1739,Room 1043, Livermore, CA 94550 USA. RP Penumadu, D (reprint author), Univ Tennessee, Dept Civil & Environm Engn, 325 John D Tickle Bldg, Knoxville, TN 37996 USA. EM aturne38@vols.utk.edu; fkim@utk.edu; dpenumad@utk.edu; herbold1@llnl.gov RI Herbold, Eric/G-3432-2011; OI Herbold, Eric/0000-0002-9837-1824; Turner, Anne/0000-0002-7100-8320; Kim, Felix/0000-0002-1042-9500 FU Defense Threat Reduction Agency (DTRA) [HDTRA1-12-10045] FX The authors would like to acknowledge DTRA support from Defense Threat Reduction Agency (DTRA) Grant HDTRA1-12-10045, managed by Dr. Douglas A. Dalton (Allen). Authors would like to acknowledge the contributions of Dr. Srdjan Simunovic from Oak Ridge National Laboratory related to the technical discussions on efficient numerical modeling techniques and for reviewing the manuscript. NR 28 TC 1 Z9 1 U1 6 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-352X EI 1873-7633 J9 COMPUT GEOTECH JI Comput. Geotech. PD JUN PY 2016 VL 76 BP 140 EP 146 DI 10.1016/j.compgeo.2016.02.019 PG 7 WC Computer Science, Interdisciplinary Applications; Engineering, Geological; Geosciences, Multidisciplinary SC Computer Science; Engineering; Geology GA DM7OY UT WOS:000376551100014 ER PT J AU Martin, EC Gido, KB Bello, N Dodds, WK Veach, A AF Martin, Erika C. Gido, Keith B. Bello, Nora Dodds, Walter K. Veach, Allison TI Increasing fish taxonomic and functional richness affects ecosystem properties of small headwater prairie streams SO FRESHWATER BIOLOGY LA English DT Article DE floating algal mats; functional groups; habitat complexity; mesocosm experiment; prairie streams ID SOUTHERN REDBELLY DACE; FRESH-WATER; COMMUNITY STRUCTURE; PHOXINUS-ERYTHROGASTER; MINNOWS CAMPOSTOMA; DISSOLVED-OXYGEN; PISCIVOROUS BASS; TROPICAL STREAM; NITROGEN EXPORT; GRAZING MINNOWS AB Stream fish can regulate their environment through direct and indirect pathways, and the relative influence of communities with different taxonomic and functional richness on ecosystem properties likely depends on habitat structure. Given this complexity, it is not surprising that observational studies of how stream fish communities influence ecosystems have shown mixed results. In this study, we evaluated the effect of an observed gradient of taxonomic (zero, one, two or three species) and functional (zero, one or two groups) richness of fishes on several key ecosystem properties in experimental stream mesocosms. Our study simulated small (less than two metres wide) headwater prairie streams with a succession of three pool-riffle structures (upstream, middle and downstream) per mesocosm. Ecosystem responses included chlorophyll a from floating algal mats and benthic algae, benthic organic matter, macroinvertebrates (all as mass per unit area), algal filament length and stream metabolism (photosynthesis and respiration rate). Ecosystem responses were analysed individually using general linear mixed models. Significant treatment (taxonomic and functional richness) by habitat (pools and riffles) interactions were found for all but one ecosystem response variable. After accounting for location (upstream, middle and downstream) effects, the presence of one or two grazers resulted in shorter mean algal filament lengths in pools compared to no-fish controls. These observations suggest grazers can maintain short algal filaments in pools, which may inhibit long filaments from reaching the surface. Accordingly, floating algal mats decreased in mid- and downstream locations in grazer treatment relative to no-fish controls. At the scale of the entire reach, gross primary productivity and respiration were greater in treatments with two grazer species compared to mixed grazer/insectivore or control treatments. The distribution of stream resources across habitat types and locations within a reach can therefore be influenced by the taxonomic and functional composition of fishes in small prairie streams. Thus, disturbances that alter diversity of these systems might have unexpected ecosystem-level consequences. C1 [Martin, Erika C.; Gido, Keith B.; Dodds, Walter K.] Kansas State Univ, Div Biol, Ackert Hall, Manhattan, KS 66506 USA. [Bello, Nora] Kansas State Univ, Dept Stat, Manhattan, KS 66506 USA. [Veach, Allison] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Martin, Erika C.] Emporia State Univ, Dept Biol, Emporia, KS 66801 USA. RP Martin, EC (reprint author), Emporia State Univ, Dept Biol, Emporia, KS 66801 USA. EM emartin7@emporia.edu FU National Science Foundation FX James Whitney, Matt Troia, Dustin Shaw, Jeff Rogosch, Jason Fischer, Josiah Maine and Josh Perkin assisted in the field and laboratory. Funding was provided by the National Science Foundation through the Konza Prairie Long-Term Ecological Research Program (LTER). This is publication #16-209-J from the Kansas Agricultural Experiment Station. NR 59 TC 0 Z9 0 U1 11 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0046-5070 EI 1365-2427 J9 FRESHWATER BIOL JI Freshw. Biol. PD JUN PY 2016 VL 61 IS 6 BP 887 EP 898 DI 10.1111/fwb.12752 PG 12 WC Marine & Freshwater Biology SC Marine & Freshwater Biology GA DM8GS UT WOS:000376600100006 ER PT J AU Griffiths, NA Tiegs, SD AF Griffiths, Natalie A. Tiegs, Scott D. TI Organic-matter decomposition along a temperature gradient in a forested headwater stream SO FRESHWATER SCIENCE LA English DT Article DE organic matter; decay; cotton-strip assay; litter quality; nutrients; shredders; snails; thermal gradient; diel temperature range; global change; Q(10-q); Metabolic Theory Ecology ID LEAF-LITTER DECOMPOSITION; WOODLAND STREAM; WALKER BRANCH; WATER TEMPERATURE; BENTHIC RESPIRATION; COTTON STRIPS; WEST FORK; RIVER; PHOSPHORUS; BREAKDOWN AB We used a natural temperature gradient in Walker Branch, a spring-fed forested stream in eastern Tennessee, USA, to examine the influence of temperature on organic-matter decomposition. In this stream, upstream sites are warmer than downstream sites in winter and are cooler than downstream sites in summer. We used a cotton-strip assay to examine breakdown of a substrate of uniform quality (95% cellulose) along the temperature gradient monthly for 2 y. We also used litter bags to examine the interactive effects of leaf-litter quality (labile red maple [Acer rubrum] and tulip poplar [Liriodendron tulipifera] and less labile white oak [Quercus alba]), invertebrates, and temperature on breakdown rates along the downstream temperature gradient for 90 d in winter. Cotton-strip tensile loss and leaf-litter breakdown rates were highly variable. Tensile-loss rates probably were driven by a combination of daily and diel temperature, discharge, and streamwater nutrients that varied seasonally and spatially along the temperature gradient. Leaf-litter breakdown rates tended to be faster in warmer upstream sites (red maple = 0.0452/d, tulip poplar = 0.0376/d, white oak = 0.0142/d) and slower in cooler downstream sites (red maple = 0.0312/d, tulip poplar = 0.0236/d, white oak = 0.0107/d), and breakdown rates were positively correlated with total invertebrate density. Temperature sensitivity of decomposition was similar among the 3 litter types. These results highlight the high degree of spatial and temporal heterogeneity that can exist for ecosystem processes and their drivers. Quantifying this heterogeneity is important when scaling functional metrics to stream and watershed scales and for understanding how organic-matter processing will respond to the warmer stream water temperatures expected as a result of global climate change. C1 [Griffiths, Natalie A.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Griffiths, Natalie A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Tiegs, Scott D.] Oakland Univ, Dept Biol Sci, Rochester, MI 48309 USA. RP Griffiths, NA (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.; Griffiths, NA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.; Tiegs, SD (reprint author), Oakland Univ, Dept Biol Sci, Rochester, MI 48309 USA. EM griffithsna@ornl.gov; tiegs@oakland.edu OI Griffiths, Natalie/0000-0003-0068-7714 FU US Department of Energy's Office of Science, Biological and Environmental Research; US Department of Energy [DE-AC05-00OR22725]; ORNL Postdoctoral Research Associates Program; Oaldand University URC Faculty Research Fellowship Award FX We thank D. Brice, M. Burchi, K. McCracken, and J. Smith for technical assistance. Comments provided by J. Smith, W. Hill, J. Follstad-Shah, B. Taylor, anonymous referees, and Associate Editors B. McKie and E. Chauvet greatly improved earlier versions of this manuscript. This research was part of the long-term Walker Branch Watershed project and supported by the US Department of Energy's Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. NAG was partially supported through the ORNL Postdoctoral Research Associates Program administered by Oak Ridge Associated Universities, and SDT was supported by an Oaldand University URC Faculty Research Fellowship Award. NR 80 TC 1 Z9 1 U1 19 U2 31 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 2161-9549 EI 2161-9565 J9 FRESHW SCI JI Freshw. Sci. PD JUN PY 2016 VL 35 IS 2 BP 518 EP 533 DI 10.1086/685657 PG 16 WC Ecology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA DM6OF UT WOS:000376471600006 ER PT J AU Burrill, DJ Feinblum, DV Charest, MRJ Starrett, CE AF Burrill, D. J. Feinblum, D. V. Charest, M. R. J. Starrett, C. E. TI Comparison of electron transport calculations in warm dense matter using the Ziman formula SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Electron conductivity; Warm dense matter; Average atom model; Ziman formula ID AVERAGE-ATOM MODEL; EQUATION-OF-STATE; PLASMAS; CONDUCTIVITIES; TEMPERATURE; RESISTIVITY; METALS AB The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudoatom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested through a comparison to the accurate, but expensive Kohn-Sham density functional theory molecular dynamics (KS-DFT-MD) calculations. The comparison is made for several elements and mixtures and for a wide range of temperatures and densities, and reveals a preferred method that generally gives very good agreement with the KS-DFT-MD results, but at a fraction of the computational cost. (C) 2016 Elsevier B.V. All rights reserved. C1 [Burrill, D. J.; Feinblum, D. V.; Charest, M. R. J.; Starrett, C. E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Feinblum, D. V.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. RP Starrett, CE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM starrett@lanl.gov FU United States Department of Energy [DE-AC52-06NA25396]; LDRD [20150656ECR] FX We thank S. B. Hansen for useful conversations and suggestions. This work was performed under the auspices of the United States Department of Energy under contract DE-AC52-06NA25396 and LDRD number 20150656ECR. NR 45 TC 4 Z9 4 U1 6 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2016 VL 19 BP 1 EP 10 DI 10.1016/j.hedp.2016.01.004 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DM6JP UT WOS:000376458100001 ER PT J AU Kantsyrev, VL Schultz, KA Shlyaptseva, VV Safronova, AS Shrestha, IK Petrov, GM Moschella, JJ Petkov, EE Stafford, A Cooper, MC Weller, ME Cline, W Wiewior, P Chalyy, O AF Kantsyrev, V. L. Schultz, K. A. Shlyaptseva, V. V. Safronova, A. S. Shrestha, I. K. Petrov, G. M. Moschella, J. J. Petkov, E. E. Stafford, A. Cooper, M. C. Weller, M. E. Cline, W. Wiewior, P. Chalyy, O. TI Study of x-rays produced from debris-free sources with Ar, Kr and Kr/Ar mixture linear gas jets irradiated by UNR Leopard laser beam with fs and ns pulse duration SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Laser plasmas; Gas jet; Clusters; X-ray emission ID HARMONIC-GENERATION; PUFF TARGET; CLUSTERS; DYNAMICS; FACILITY; PLASMAS AB Experiments of x-ray emission from Ar, Kr, and Ar/Kr gas jet mixture were performed at the UNR Leopard Laser Facility operated with 350 fs pulses at laser intensity of 2 x 10(19) W/cm(2) and 0.8 ns pulses at an intensity of 1016 W/cm(2). Debris free x-ray source with supersonic linear nozzle generated clusters/monomer jet with an average density of >= 10(19) cm(-3) was compared to cylindrical tube subsonic nozzle, which produced only monomer jet with average density 1.5(-2) times higher. The linear (elongated) cluster/gas jet provides the capability to study x-ray yield anisotropy and laser beam self-focusing with plasma channel formation that are interconnecting with efficient x-ray generation. Diagnostics include x-ray diodes, pinhole cameras and spectrometers. It was observed that the emission in the 1-9 keV spectral region was strongly anisotropic depending on the directions of laser beam polarization for sub-ps laser pulse and supersonic linear jet. The energy yield in the 1-3 keV region produced by a linear nozzle was an order of magnitude higher than from a tube nozzle. Non-LTE models and 3D molecular dynamic simulations of Ar and Kr clusters irradiated by sub-ps laser pulses have been implemented to analyze obtained data. A potential evidence of electron beam generation in jets' plasma was discussed. Note that the described debris-free gas-puff x-ray source can generate x-ray pulses in a high repetition regime. This is a great advantage compared to solid laser targets. (C) 2016 Elsevier B.V. All rights reserved. C1 [Kantsyrev, V. L.; Schultz, K. A.; Shlyaptseva, V. V.; Safronova, A. S.; Shrestha, I. K.; Moschella, J. J.; Petkov, E. E.; Stafford, A.; Cooper, M. C.; Weller, M. E.; Cline, W.; Wiewior, P.; Chalyy, O.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Petrov, G. M.] Naval Res Lab, Div Plasma Phys, Washington, DC 20375 USA. [Weller, M. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kantsyrev, VL (reprint author), Univ Nevada, Dept Phys, Reno, NV 89557 USA. EM vlkantsyrev@gmail.com FU Defense Threat Reduction Agency [HDTRA1-13-1-0033]; NNSA under DOE [DE-NA0001984, DE-NA0002075] FX The authors would like to thank A.A. Esaulov for the theoretical modeling of linear supersonic nozzle. This work was supported by the Defense Threat Reduction Agency, Basic Research Award #HDTRA1-13-1-0033, to the University of Nevada, Reno, and in part by the NNSA under DOE Cooperative Agreements DE-NA0001984 and DE-NA0002075. NR 30 TC 2 Z9 2 U1 3 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2016 VL 19 BP 11 EP 22 DI 10.1016/j.hedp.2016.02.001 PG 12 WC Physics, Fluids & Plasmas SC Physics GA DM6JP UT WOS:000376458100002 ER PT J AU Seely, JF Hudson, LT Pereira, N Di Stefano, CA Kuranz, CC Drake, RP Chen, H Williams, GJ Park, J AF Seely, J. F. Hudson, L. T. Pereira, N. Di Stefano, C. A. Kuranz, C. C. Drake, R. P. Chen, Hui Williams, G. J. Park, J. TI Energetic electrons driven in the polarization direction of an intense laser beam incident normal to a solid target SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Multiphoton inverse Bremsstrahlung absorption; Laser-plasma interaction; Relativistic electron propagation ID PLASMA AB Experiments were performed at the LLNL Titan laser to measure the propagation direction of the energetic electrons that were generated during the interaction of the polarized laser beam with solid targets in the case of normal incidence. The energetic electrons propagated through vacuum to spectator metal wires in the polarization direction and in the perpendicular direction, and the K shell spectra from the different wire materials were recorded as functions of the distance from the laser focal spot. It was found that the fluence of the energetic electrons driven into the spectator wires in the polarization direction compared to the perpendicular direction was larger and increased with the distance from the focal spot. This indicates that energetic electrons are preferentially driven in the direction of the intense oscillating electric field of the incident laser beam in agreement with the multiphoton inverse Bremsstrahlung absorption process. (C) 2016 Elsevier B.V. All rights reserved. C1 [Seely, J. F.] Artep Inc, 2922 Excelsior Springs Court, Ellicott City, MD 21042 USA. [Hudson, L. T.] NIST, Gaithersburg, MD 20899 USA. [Pereira, N.] Ecopulse Inc, 7844 Vervain Court, Springfield, VA 22152 USA. [Di Stefano, C. A.; Kuranz, C. C.; Drake, R. P.] Univ Michigan, Ann Arbor, MI 48109 USA. [Chen, Hui; Williams, G. J.; Park, J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Seely, JF (reprint author), Artep Inc, 2922 Excelsior Springs Court, Ellicott City, MD 21042 USA. EM seelyjf@gmail.com RI Drake, R Paul/I-9218-2012 OI Drake, R Paul/0000-0002-5450-9844 FU Defense Threat Reduction Agency [DTRA-1-10-0077]; NNSA-DS; SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas [DE-NA0001840] FX This work was funded by the Defense Threat Reduction Agency, grant number DTRA-1-10-0077 and by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840. NR 14 TC 0 Z9 0 U1 2 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2016 VL 19 BP 23 EP 28 DI 10.1016/j.hedp.2016.02.003 PG 6 WC Physics, Fluids & Plasmas SC Physics GA DM6JP UT WOS:000376458100003 ER PT J AU Starrett, CE AF Starrett, C. E. TI Kubo-Greenwood approach to conductivity in dense plasmas with average atom models SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Electron conductivity; Warm dense matter; Average atom model; Ziman formula; Kubo-Greenwood ID ELECTRICAL-RESISTIVITY; MATTER; TEMPERATURE; PURGATORIO; EQUATION; METALS AB A new formulation of the Kubo-Greenwood conductivity for average atom models is given. The new formulation improves upon previous treatments by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much improved agreement with ab initio results for DC conductivity of warm dense hydrogen and beryllium, and for thermal conductivity of hydrogen. We also give and test a slightly modified Ziman-Evans formula for the resistivity that includes a non-free electron density of states, thus removing an ambiguity in the original Ziman-Evans formula. Again, results based on this expression are in good agreement with ab initio simulations for warm dense beryllium and hydrogen. However, for both these expressions, calculations of the electrical conductivity of warm dense aluminum lead to poor agreement at low temperatures compared to ab initio simulations. (C) 2016 Elsevier B.V. All rights reserved. C1 [Starrett, C. E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Starrett, CE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM starrett@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396]; LDRD [20150656ECR] FX This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396 and LDRD number 20150656ECR. NR 44 TC 3 Z9 3 U1 3 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2016 VL 19 BP 58 EP 64 DI 10.1016/j.hedp.2016.04.001 PG 7 WC Physics, Fluids & Plasmas SC Physics GA DM6JP UT WOS:000376458100007 ER PT J AU Newman, BD Land, L Phillips, FM Rawling, GC AF Newman, Brent D. Land, Lewis Phillips, Fred M. Rawling, Geoffrey C. TI The hydrogeology of the Sacramento Mountains and Roswell and Salt basins of New Mexico, USA: overview of investigations on dryland groundwater systems using environmental tracers and geochemical approaches SO HYDROGEOLOGY JOURNAL LA English DT Article DE Karst; USA; Environmental tracers; Geochemistry ID CLIMATE-CHANGE; WATER C1 [Newman, Brent D.] Los Alamos Natl Lab, Div Earth & Environm Sci, MS J495, Los Alamos, NM 87545 USA. [Land, Lewis] New Mexico Inst Min & Technol, New Mexico Bur Geol & Mineral Resources, 400-1 Cascades Ave, Carlsbad, CA 88220 USA. [Land, Lewis] New Mexico Inst Min & Technol, Natl Cave & Karst Res Inst, 400-1 Cascades Ave, Carlsbad, CA 88220 USA. [Phillips, Fred M.] New Mexico Inst Min & Technol, Earth & Environm Sci Dept, Socorro, NM 87801 USA. [Rawling, Geoffrey C.] New Mexico Inst Min & Technol, New Mexico Bur Geol & Mineral Resources, 2808 Cent SE,Suite 127, Albuquerque, NM 87106 USA. RP Newman, BD (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, MS J495, Los Alamos, NM 87545 USA. EM bnewman@LANL.gov NR 18 TC 5 Z9 5 U1 3 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1431-2174 EI 1435-0157 J9 HYDROGEOL J JI Hydrogeol. J. PD JUN PY 2016 VL 24 IS 4 BP 753 EP 756 DI 10.1007/s10040-016-1404-0 PG 4 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA DM5QP UT WOS:000376405400002 ER PT J AU Newman, BD Havenor, KC Longmire, P AF Newman, Brent D. Havenor, Kay C. Longmire, Patrick TI Identification of hydrochemical facies in the Roswell Artesian Basin, New Mexico (USA), using graphical and statistical methods SO HYDROGEOLOGY JOURNAL LA English DT Article DE USA; Karst; Hydrochemical facies; Geochemistry ID GROUNDWATER; AQUIFER AB Analysis of groundwater chemistry can yield important insights about subsurface conditions, and provide an alternative and complementary method for characterizing basin hydrogeology, especially in areas where hydraulic data are limited. More specifically, hydrochemical facies have been used for decades to help understand basin flow and transport, and a set of facies were developed for the Roswell Artesian Basin (RAB) in a semi-arid part of New Mexico, USA. The RAB is an important agricultural water source, and is an excellent example of a rechargeable artesian system. However, substantial uncertainties about the RAB hydrogeology and groundwater chemistry exist. The RAB was a great opportunity to explore hydrochemcial facies definition. A set of facies, derived from fingerprint diagrams (graphical approach), existed as a basis for testing and for comparison to principal components, factor analysis, and cluster analyses (statistical approaches). Geochemical data from over 300 RAB wells in the central basin were examined. The statistical testing of fingerprint-diagram-based facies was useful in terms of quantitatively evaluating differences between facies, and for understanding potential controls on basin groundwater chemistry. This study suggests the presence of three hydrochemical facies in the shallower part of the RAB (mostly unconfined conditions) and three in the deeper artesian system of the RAB. These facies reflect significant spatial differences in chemistry in the basin that are associated with specific stratigraphic intervals as well as structural features. Substantial chemical variability across faults and within fault blocks was also observed. C1 [Newman, Brent D.; Longmire, Patrick] Los Alamos Natl Lab, Div Earth & Environm Sci, MS J495, Los Alamos, NM 87545 USA. [Havenor, Kay C.] Geosci Technol, Roswell, NM USA. [Longmire, Patrick] Los Alamos Oversight Bur, New Mexico Environm Dept, Los Alamos, NM 87544 USA. RP Newman, BD (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, MS J495, Los Alamos, NM 87545 USA. EM bnewman@lanl.gov NR 32 TC 1 Z9 1 U1 3 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1431-2174 EI 1435-0157 J9 HYDROGEOL J JI Hydrogeol. J. PD JUN PY 2016 VL 24 IS 4 BP 819 EP 839 DI 10.1007/s10040-016-1401-3 PG 21 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA DM5QP UT WOS:000376405400006 ER PT J AU Berryman, JG AF Berryman, James G. TI Role of fluid injection in the evolution of fractured reservoirs SO INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE LA English DT Article DE Fractured reservoirs; Fluid injection; Nonlinear behavior ID LINEAR POROUS-ELASTICITY; INTEGRAL-EQUATION METHOD; COHESIVE ZONE MODELS; HYDRAULIC FRACTURE; BREAKAGE MECHANICS; GRANULAR-MATERIALS; WAVE-PROPAGATION; CLAY CONTENT; STRESS; ROCKS AB A survey is provided of some of the better known examples of quantitative results during fluid injection on number, quality, and weakening effects for fractures in earth reservoirs along with some comparisons to either well-known or better-known theories of both fracture arrival and/or new growth of existing fractures through both fluid injection and stress application. The detailed analyses presented focus on reservoirs having (at worst) orthotropic symmetry. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Berryman, James G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd,MS 74R316C, Berkeley, CA 94720 USA. RP Berryman, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd,MS 74R316C, Berkeley, CA 94720 USA. EM jgberryman@lbl.gov FU U.S. Department of Energy, at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences FX Work performed under the auspices of the U.S. Department of Energy, at the Lawrence Berkeley National Laboratory under Contract no. DE-AC02-05CH11231. Support was provided specifically by the Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. NR 98 TC 0 Z9 0 U1 3 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7225 EI 1879-2197 J9 INT J ENG SCI JI Int. J. Eng. Sci. PD JUN PY 2016 VL 103 BP 45 EP 58 DI 10.1016/j.ijengsci.2016.02.004 PG 14 WC Engineering, Multidisciplinary SC Engineering GA DM7PR UT WOS:000376553000005 ER PT J AU Grasinger, M O'Malley, D Vesselinov, V Karra, S AF Grasinger, Matthew O'Malley, Daniel Vesselinov, Velimir Karra, Satish TI Decision analysis for robust CO2 injection: Application of Bayesian-Information-Gap Decision Theory SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Decision analysis; Decision theory; Bayesian inference; Uncertainty quantification; Multiphase flow; CO2 sequestration; Site selection ID GEOLOGICAL FORMATIONS; STORAGE CAPACITY; SITE SELECTION; SEQUESTRATION; LEAKAGE; AQUIFERS; WELL AB Care must be taken when choosing a site for geological CO2 sequestration to ensure that the CO2 remains sequestered for many years, and that the environment is not harmed. Making a decision between sites for sequestration is not without its challenges because, as in the case of many subsurface problems, there are a lot of uncertainties. A method for making decisions under various types and severities of uncertainties, Bayesian-Information-Gap Decision Theory (BIG DT), is coupled with a numerical multiphase flow model for CO2 injection. The framework is used to make a decision between two CO2 sequestration sites; data are collected during a test injection and are used by the framework to assess the robustness of each site against failure by either leakage or induced seismic activity. A discussion of how the data are used to decide on a site follows. The results show that at the two synthetic sites examined here, the one with the less leakage potential is preferred. This indicates that the potential for leakage is more prone to violate decision goals at these sites than the potential for overpressurization. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Grasinger, Matthew] Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15260 USA. [O'Malley, Daniel; Vesselinov, Velimir; Karra, Satish] Los Alamos Natl Lab, Computat Earth Sci Grp, Los Alamos, NM 87545 USA. RP Grasinger, M (reprint author), Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15260 USA. EM grasingerm@pitt.edu; omalled@lanl.gov; vvv@lanl.gov; satkarra@lanl.gov RI Vesselinov, Velimir/P-4724-2016; OI Vesselinov, Velimir/0000-0002-6222-0530; Grasinger, Matthew/0000-0001-7188-0736; O'Malley, Daniel/0000-0003-0432-3088 FU Mickey Leland Energy Fellowship program; U.S. Department of Energy; Los Alamos National Laboratory (LANL) Director's Postdoctoral Fellowship; DiaMonD project (An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions, U.S. Department of Energy Office of Science) [11145687]; LANL Laboratory Directed Research and Development Early Career project [20150693ECR] FX The authors acknowledge the support for this research from the Mickey Leland Energy Fellowship program and the U.S. Department of Energy. DO was supported by a Los Alamos National Laboratory (LANL) Director's Postdoctoral Fellowship, VVV was supported by the DiaMonD project (An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions, U.S. Department of Energy Office of Science, Grant #11145687), and SK was supported by LANL Laboratory Directed Research and Development Early Career project 20150693ECR during the preparation of this manuscript. NR 27 TC 0 Z9 0 U1 2 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 73 EP 80 DI 10.1016/j.ijggc.2016.02.017 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200008 ER PT J AU Last, GV Murray, CJ Bott, Y AF Last, G. V. Murray, C. J. Bott, Y. TI Derivation of groundwater threshold values for analysis of impacts predicted at potential carbon sequestration sites SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon storage; CO2 and bine leakage; Underground sources of drinking water; Groundwater quality; Threshold values; Predicted groundwater impacts ID DIOXIDE; STORAGE; LEAKAGE AB The U.S. Department of Energy's (DOE's) National Risk Assessment Partnership (NRAP) Project is developing reduced-order models to evaluate potential impacts to groundwater quality due to carbon dioxide (CO2) or brine leakage, should it occur from deep CO2 storage reservoirs. These efforts targeted two classes of aquifer an unconfined fractured carbonate aquifer based on the Edwards Aquifer in Texas, and a confined alluvium aquifer based on the High Plains Aquifer in Kansas. Hypothetical leakage scenarios focus on wellbores as the most likely conduits from the storage reservoir to an underground source of drinking water (USDW). To facilitate evaluation of potential degradation of the USDWs, threshold values, below which there would be no predicted impacts, were determined for each of these two aquifer systems. These threshold values were calculated using an interwell approach for determining background groundwater concentrations that is an adaptation of methods described in the U.S. Environmental Protection Agency's Unified Guidance for Statistical Analysis of Groundwater Monitoring Data at RCRA Facilities. Results demonstrate the importance of establishing baseline groundwater quality conditions that capture the spatial and temporal variability of the USDWs prior to CO2 injection and storage. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Last, G. V.; Murray, C. J.; Bott, Y.] Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. RP Last, GV (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM george.last@pnnl.gov; Chris.Murray@pnnl.gov; yi-ju.bott@pnnl.gov FU U.S. Department of Energy's (DOE's) Office of Fossil Energy's Cross-Cutting Research Program; DOE by Pacific Northwest National Laboratory [DE-AC05-76RL01830] FX This work was completed as part of the National Risk Assessment Partnership (NRAP) Project. Support for this project came from the U.S. Department of Energy's (DOE's) Office of Fossil Energy's Cross-Cutting Research Program. The authors acknowledge Robert Romanosky (NETL Strategic Center for Coal) and Regis Conrad (DOE Office of Fossil Energy) for programmatic guidance, direction, and support.; This work was performed under the auspices of the DOE by Pacific Northwest National Laboratory under Contract DE-AC05-76RL01830. NR 27 TC 1 Z9 1 U1 5 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 138 EP 148 DI 10.1016/j.ijggc.2016.03.004 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200014 ER PT J AU Carroll, S Carey, JW Dzombak, D Huerta, NJ Li, L Richard, T Um, W Walsh, SDC Zhang, LW AF Carroll, Susan Carey, J. William Dzombak, David Huerta, Nicolas J. Li, Li Richard, Tom Um, Wooyong Walsh, Stuart D. C. Zhang, Liwei TI Review: Role of chemistry, mechanics, and transport on well integrity in CO2 storage environments SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Well integrity; Reactive transport; Mechanical deformation ID GEOLOGIC SEQUESTRATION CONDITIONS; CEMENT-BASED MATERIALS; CO2-RICH BRINE; FLY-ASH; CARBON SEQUESTRATION; LEAKAGE; CORROSION; MODEL; OIL; DEFORMATION AB Among the various risks associated with CO2 storage in deep geologic formations, wells are important potential pathways for fluid leaks and groundwater contamination. Injection of CO2 will perturb the storage reservoir and any wells that penetrate the CO2 or pressure footprints are potential pathways for leakage of CO2 and/or reservoir brine. Well leakage is of particular concern for regions with a long history of oil and gas exploration because they are top candidates for geologic CO2 storage sites. This review explores in detail the ability of wells to retain their integrity against leakage with careful examination of the coupled physical and chemical processes involved. Understanding time-dependent leakage is complicated by the changes in fluid flow, solute transport, chemical reactions, and mechanical stresses over decade or longer time frames for site operations and monitoring. Almost all studies of the potential for well leakage have been laboratory based, as there are limited data on field-scale leakage. Laboratory experiments show that CO2 and CO2-saturated brine still react with cement and casing when leakage occurs by diffusion only. The rate of degradation, however, is transport-limited and alteration of cement and casing properties is low. When a leakage path is already present due to cement shrinkage or fracturing, gaps along interfaces (e.g. casing/cement or cement/rock), or casing failures, chemical and mechanical alteration have the potential to decrease or increase leakage risks. Laboratory experiments and numerical simulations have shown that mineral precipitation or closure of strain-induced fractures can seal a leak pathway over time or conversely open pathways depending on flow-rate, chemistry, and the stress state. Experiments with steel/cement and cement/rock interfaces have indicated that protective mechanisms such as metal passivation, chemical alteration, mechanical deformation, and pore clogging can also help mitigate leakage. The specific rate and nature of alteration depend on the cement, brine, and injected fluid compositions. For example, the presence of co-injected gases (e.g. O-2, H2S, and SO2) and pozzolan amendments (fly ash) to cement influences the rate and the nature of cement reactions. A more complete understanding of the coupled physical-chemical mechanisms involved with sealing and opening of leakage pathways is needed. An important challenge is to take empirically based chemical, mechanical, and transport models reviewed here and assess leakage risk for carbon storage at the field scale. Field observations that accompany laboratory and modeling studies are critical to validating understanding of leakage risk. Long-term risk at the field scale is an area of active research made difficult by the large variability of material types (cement, geologic material, casing), field conditions (pressure, temperature, gradient in potential, residence time), and leaking fluid composition (CO2, co-injected gases, brine). Of particular interest are the circumstances when sealing and other protective mechanisms are likely to be effective, when they are likely to fail, and the zone of uncertainty between these two extremes. (C) 2016 The Authors. Published by Elsevier Ltd. C1 [Carroll, Susan; Walsh, Stuart D. C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Carey, J. William] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Dzombak, David] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Huerta, Nicolas J.] Natl Energy Technol Lab, Albany, OR 97322 USA. [Li, Li; Richard, Tom] Penn State Univ, University Pk, PA 16802 USA. [Um, Wooyong] Pacific NW Natl Lab, Richland, WA 99354 USA. [Zhang, Liwei] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Carroll, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM carroll6@llnl.gov; bcarey@lanl.gov; dzombak@cmu.edu; Nicolas.Huerta@NETL.gov; lili@eme.psu.edu; trichard@psu.edu; wooyong.um@pnnl.gov; walsh24@llnl.gov; ziwe88@gmail.com RI Li, Li/A-6077-2008 OI Li, Li/0000-0002-1641-3710 FU DOE Office of Fossil Energy's Crosscutting Research program; LLNL [DE-AC52-07NA27344] FX This work was completed as part of National Risk Assessment Partnership (NRAP) project. Support for this project came from the DOE Office of Fossil Energy's Crosscutting Research program. The authors wish to acknowledge Robert Romanosky (NETL Strategic Center for Coal) and Regis Conrad (DOE Office of Fossil Energy) for programmatic guidance, direction, and support.; This work was prepared in part by LLNL under contract DE-AC52-07NA27344 and has been reviewed and released (LLNL-JRNL-681465). NR 97 TC 4 Z9 4 U1 16 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 149 EP 160 DI 10.1016/j.ijggc.2016.01.010 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200015 ER PT J AU Yoshida, N Levine, JS Stauffer, PH AF Yoshida, Nozomu Levine, Jonathan S. Stauffer, Philip H. TI Investigation of uncertainty in CO2 reservoir models: A sensitivity analysis of relative permeability parameter values SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon sequestration; Reservoir modeling; Relative permeability; Sensitivity analysis ID IN-SITU CONDITIONS; IMMISCIBLE DISPLACEMENT; CARBON-DIOXIDE; REGIONAL-SCALE; BRINE AQUIFERS; PORE SCALE; STORAGE; SEQUESTRATION; INJECTIVITY; DRAINAGE AB Numerical reservoir models of CO2 injection in saline formations rely on parameterization of laboratory measured pore-scale processes. We performed a parameter sensitivity study and Monte Carlo simulations to determine the normalized change in total CO2 injected using the finite element heat and mass-transfer code (FEHM) numerical reservoir simulator. Experimentally measured relative permeability parameter values were used to generate distribution functions for parameter sampling. The parameter sensitivity study analyzed five different levels for each of the relative permeability model parameters. All but one of the parameters changed the CO2 injectivity by <10%, less than the geostatistical uncertainty that applies to all large subsurface systems due to natural geophysical variability and inherently small sample sizes. The exception was the end-point CO2 relative permeability, k(r,CO2)(0) the maximum attainable effective CO2 permeability during CO2 invasion, which changed CO2 injectivity by as much as 80%. Similarly, Monte Carlo simulation using 1000 realizations of relative permeability parameters showed no relationship between CO2 injectivity and any of the parameters but k(r,CO2)(0), which had a very strong (R-2 = 0.9685) power law relationship with total CO2 injected. Model sensitivity to k(r,CO2)(0), points to the importance of accurate core flood and wettability measurements. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Yoshida, Nozomu; Stauffer, Philip H.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Yoshida, Nozomu] Texas A&M Univ, Dept Petr Engn, College Stn, TX 77843 USA. [Levine, Jonathan S.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Stauffer, PH (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM noz.yoshida@tamu.edu; jonathan.levine@netl.doe.gov; stauffer@lanl.gov RI Yoshida, Nozomu/M-7188-2015 OI Yoshida, Nozomu/0000-0002-9875-178X FU U.S. Department of Energy; National Energy Technology Laboratory [DE-FC26-05NT42587] FX This work is part of the Big Sky CO2-EOR/Storage Project that is supported by the U.S. Department of Energy and managed by the National Energy Technology Laboratory under contract number DE-FC26-05NT42587. This research was supported in part by an appointment to the National Energy Technology Laboratory Research Participation Program, sponsored by the U.S. Department of Energy and administered by the Oak Ridge Institute for Science and Education. NR 49 TC 2 Z9 2 U1 7 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 161 EP 178 DI 10.1016/j.ijggc.2016.03.008 PG 18 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200016 ER PT J AU Zhang, YQ Liu, YN Pau, G Oladyshkin, S Finsterle, S AF Zhang, Yingqi Liu, Yaning Pau, George Oladyshkin, Sergey Finsterle, Stefan TI Evaluation of multiple reduced-order models to enhance confidence in global sensitivity analyses SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Multiple reduced-order models; Global sensitivity analysis; Geological CO2 storage ID POLYNOMIAL CHAOS; BRINE LEAKAGE; REPRESENTATIONS; CO2; OPTIMIZATION; WELLBORES; INDEXES AB Variance-based global sensitivity analysis (e.g., the Sobol' sensitivity index) can be used to identify the important parameters over the entire parameter space. However, one often cannot afford the computational costs of sampling-based approaches in combination with expensive high-fidelity forward models. Reduced-order models (ROM) can substantially accelerate calculation of these sensitivities. However, it is usually difficult to determine what type of ROM should be used and how accurately the ROM represents the high-fidelity model (HFM) results. In this paper, we propose to concurrently use multiple ROMs as a way to assess the robustness of the model-reduction method. Two sets of HFM simulations are needed, one set for building ROMs and the other for validating ROMs. Our goal is to keep the total number of HFM simulations to a minimum. Ideally some of the HFM simulations in the first set can be shared by different ROMs. Based on validation results, the ROMs can be combined with different schemes. We demonstrate that we can achieve the goal by using four different ROMs and still considerably save computational time compared to using traditional HFM simulation for calculating sensitivity indices. We apply the approach to an example problem of a large-scale geological carbon dioxide storage system, in which the objective is to calculate a sensitivity index to identify important parameters. For this problem, the locally best ROM provides better estimates than the weighted average from all ROMs. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Zhang, Yingqi; Liu, Yaning; Pau, George; Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Oladyshkin, Sergey] Univ Stuttgart, Dept Stochast Simulat & Safety Res Hydrosyst IWS, D-70174 Stuttgart, Germany. RP Zhang, YQ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, MS 74R316C,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yqzhang@lbl.gov RI Finsterle, Stefan/A-8360-2009; Zhang, Yingqi/D-1203-2015; Liu, Yaning/K-8547-2014; Pau, George Shu Heng/F-2363-2015 OI Finsterle, Stefan/0000-0002-4446-9906; Pau, George Shu Heng/0000-0002-9198-6164 FU Office of Sequestration, Hydrogen, and Clean Coal Fuels, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors wish to acknowledge Haruko Wainwright for sharing her data and sensitivity analysis algorithm with us. This work was conducted as part of National Risk Assessment Partnership (NRAP) effort, supported by the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, of the U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 37 TC 2 Z9 2 U1 4 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 217 EP 226 DI 10.1016/j.ijggc.2016.03.003 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200020 ER PT J AU Zhang, ZF Oostrom, M WhiteEnergy, MD AF Zhang, Zhuanfang Fred Oostrom, Mart WhiteEnergy, Mark D. TI Relative permeability for multiphase flow for oven-dry to full saturation conditions SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Geologic sequestration; Hydraulic properties; Residual saturation; Numerical simulation; Dry-out; Salt precipitation ID SOIL-WATER RETENTION; HYDRAULIC CONDUCTIVITY; FRACTURE SURFACES; FILM FLOW; NEW-MODEL; EQUATION; DRYNESS; CURVES; REGION; CO2 AB Numerical simulation of supercritical CO2 (CO2) injection into deep geologic reservoirs often requires the modeling of multifluid flow and transport. The classical capillary and relative permeability models assume that the residual water is immobile and irreducible. This assumption is not in agreement with the flow process for CO2 injection into a saline aquifer. In this paper, the relative permeability (k(r))-saturation (S) relationships for both the aqueous and non-aqueous phases are derived for oven-dry (i.e., zero liquid saturation) to full saturation conditions by extending the classical k(r)-S relationships. The extended relative permeability models reduce to the corresponding classical forms when the aqueous saturation is higher than the critical value, but deviates from the latter when the aqueous saturation is lower than the critical value. The implementation of the extended models in the STOMP multifluid flow and transport model is demonstrated by the simulation of dry CO2 injection from a vertical well into a homogeneous reservoir. The extended models overcome the limitations of the classical models and can simulate the dry-out processes associated with the residual water. The extended models are expected to simulate CO2 injection and the subsequent processes (e.g., the dry-out of brine and salt precipitation) more accurately than the classical models. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Zhang, Zhuanfang Fred; Oostrom, Mart; WhiteEnergy, Mark D.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhang, ZF (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Hydrol Grp, 902 Battelle Blvd, Richland, WA 99352 USA. EM fred.zhang@pnnl.gov OI Zhang, Fred/0000-0001-8676-6426 FU U.S. Department of Energy [DE-FE0001882]; FutureGen Industrial Alliance [DE-FE0001882]; Battelle Memorial Institute for the Department of Energy (DOE) [DE-AC06-76RLO 1830] FX Funding for this research was provided by the FutureGen 2.0 program, implemented under Cooperative Agreement DE-FE0001882 between the U.S. Department of Energy and the FutureGen Industrial Alliance, a non-profit membership organization created to benefit the public interest and the interests of science through research, development, and demonstration of near-zero emissions coal technology. For more information on FutureGen 2.0, please visit www.futuregenalliance.org. Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC06-76RLO 1830. NR 28 TC 4 Z9 4 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 259 EP 266 DI 10.1016/j.ijggc.2016.02.029 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200024 ER PT J AU Commer, M Doetsch, J Dafflon, B Wu, YX Daley, TM Hubbard, SS AF Commer, Michael Doetsch, Joseph Dafflon, Baptiste Wu, Yuxin Daley, Thomas M. Hubbard, Susan S. TI Time-lapse 3-D electrical resistance tomography inversion for crosswell monitoring of dissolved and supercritical CO2 flow at two field sites: Escatawpa and Cranfield, Mississippi, USA SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Geologic CO2 storage; Electrical resistivity tomography (ERT); 3-D inversion ID DATA INCORPORATING TOPOGRAPHY; SHALLOW GROUNDWATER SYSTEM; RESISTIVITY TOMOGRAPHY; KETZIN GERMANY; INJECTION; RESERVOIR; AQUIFER; MIGRATION; STORAGE; ERT AB In this study, we advance the understanding of three-dimensional (3-D) electrical resistivity tomography (ERT) for monitoring long-term CO2 storage by analyzing two previously published field time-lapse data sets. We address two important aspects of ERT inversion the issue of resolution decay, a general impediment to the ERT method, and the issue of potentially misleading imaging artifacts due to 2-D model assumptions. The first study analyzes data from a shallow dissolved-CO2 injection experiment near Escatawpa (Mississippi), where ERT data were collected in a 3-D crosswell configuration. We apply a focusing approach designed for crosswell configurations to counteract resolution loss in the interwellbore area, with synthetic studies demonstrating its effectiveness. The 3-D field data analysis reveals an initially southwards-trending flow path development and a dispersing plume development in the downgradient inter-well region. The second data set was collected during a deep (over 3 km) injection of supercritical CO2 near Cranfield (Mississippi). Comparative 2-D and 3-D inversions reveal the projection of off-planar anomalies onto the cross-section, a typical artifact introduced by 2-D model assumptions. Conforming 3-D images from two different algorithms support earlier hydrological investigations, indicating a conduit system where flow velocity variations lead to a circumvention of a close observation well and an onset of increased CO2 saturation downgradient from this well. We relate lateral permeability variations indicated by an independently obtained hydrological analysis to this consistently observed pattern in the CO2 spatial plume evolution. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Commer, Michael; Dafflon, Baptiste; Wu, Yuxin; Daley, Thomas M.; Hubbard, Susan S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd,Mailstop 74R316C, Berkeley, CA 94720 USA. [Doetsch, Joseph] ETH, Dept Earth Sci, SCCER SoE, Zurich, Switzerland. RP Commer, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd,Mailstop 74R316C, Berkeley, CA 94720 USA. EM MCommer@lbl.gov RI Hubbard, Susan/E-9508-2010; Doetsch, Joseph/A-9438-2008; Daley, Thomas/G-3274-2015; Wu, Yuxin/G-1630-2012; Commer, Michael/G-3350-2015 OI Doetsch, Joseph/0000-0002-2927-9557; Daley, Thomas/0000-0001-9445-0843; Wu, Yuxin/0000-0002-6953-0179; Commer, Michael/0000-0003-0015-9217 FU National Energy Technology Laboratory (NETL), National Risk Assessment Program (NRAP), of the US Department of Energy [DEAC02-05CH11231]; Electric Power Research Institute; SECARB; National Risk Assessment Partnership (NRAP) through the National Energy Technology Laboratory of the U.S. Dept. of Energy; Swiss Competence Center for Energy Research, Supply of Electricity (SCCER-SoE); [DE-AC02-05CH11231] FX This work was funded by the Assistant Secretary for Fossil Energy, National Energy Technology Laboratory (NETL), National Risk Assessment Program (NRAP), of the US Department of Energyunder Contract No. DEAC02-05CH11231 to LBNL and in collaboration with the Electric Power Research Institute. This work was also supported by SECARB and the National Risk Assessment Partnership (NRAP) through the National Energy Technology Laboratory of the U.S. Dept. of Energy. Lawrence Berkeley National Laboratory is supported under contract DE-AC02-05CH11231. The authors would like to acknowledge the assistance of Susan Hovorka (TBEG), technical lead for the Cranfield Project. We would also like to acknowledge Denbury Resources and Charles Carrigan of Lawrence Livermore National Laboratory for use of the Cranfield data. J. Doetsch was partly funded by the Swiss Competence Center for Energy Research, Supply of Electricity (SCCER-SoE). We are grateful to two anonymous reviewers, whose suggestions greatly enhanced this work. NR 47 TC 1 Z9 1 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 297 EP 311 DI 10.1016/j.ijggc.2016.03.020 PG 15 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200028 ER PT J AU Verba, C Thurber, AR Alleau, Y Koley, D Colwell, F Torres, ME AF Verba, C. Thurber, A. R. Alleau, Y. Koley, D. Colwell, F. Torres, M. E. TI Mineral changes in cement-sandstone matrices induced by biocementation SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Biofilm; Biomineralization; Bioprecipitation; Carbon sequestration; Sporosarcina pasteurii; Supercritical CO2 ID SUPERCRITICAL CO2; CALCIUM-CARBONATE; WELL CEMENT; PASTEURII; STORAGE; BIOMINERALIZATION; PRECIPITATION; GROUNDWATER; DEGRADATION; SUBSURFACE AB Prevention of wellbore CO2 leakage is a critical component of any successful carbon capture, utilization, and storage program. Sporosarcina pasteurii is a bacterium that has demonstrated the potential ability to seal a compromised wellbore through the enzymatic precipitation of CaCO3. Here we investigate the growth of S. pasteurii in a synthetic brine that mimics the Illinois Basin and on Mt. Simon sandstone encased in Class H Portland cement under high pressure and supercritical CO2 (P-CO2) conditions. The bacterium grew optimum at 30 degrees C compared to 40 degrees C under ambient and high pressure (10 MPa) conditions; and growth was comparable in experiments at high P-CO2. Sporosarcina pasteurii actively induced the biomineralization of CaCO3 polymorphs and MgCa(CO3)2 in both ambient and high pressure conditions as observed in electron microscopy. In contrast, abiotic (non-biological) samples exposed to CO2 resulted in the formation of surficial vaterite and calcite. The ability of S. pasteurii to grow under subsurface conditions may be a promising mechanism to enhance wellbore integrity. Published by Elsevier Ltd. C1 [Verba, C.] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. [Thurber, A. R.; Alleau, Y.; Colwell, F.; Torres, M. E.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97330 USA. [Koley, D.] Oregon State Univ, Coll Sci, Corvallis, OR 97330 USA. RP Verba, C (reprint author), US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. EM circe.verba@netl.doe.gov NR 28 TC 0 Z9 0 U1 5 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 312 EP 322 DI 10.1016/j.ijggc.2016.03.019 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200029 ER PT J AU Zhang, YQ Oldenburg, CM Pan, LH AF Zhang, Yingqi Oldenburg, Curtis M. Pan, Lehua TI Fast estimation of dense gas dispersion from multiple continuous CO2 surface leakage sources for risk assessment SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Dense gas dispersion from multiple sources; Reduced order model; Risk assessment; Integrated assessment model ID CARBON SEQUESTRATION SITES; ATMOSPHERIC DISPERSION; MODEL; DIOXIDE; TRANSPORTATION; ZONE AB Surface leakage of CO2, and associated potential impacts on health, safety, and the environment (HSE) are considered hazards of geologic carbon sequestration (GCS). There are two challenges associated with impact assessment of CO2 surface dispersion. First, the fact that CO2 is a dense gas makes its dispersion in air a complex process. Rigorous numerical solutions for modeling concentration distributions are relatively time-consuming. Second, impact assessment requires consideration of uncertainty, e.g., quantification of how much uncertainty is propagated through input parameters to model outputs by carrying out large numbers of model runs. In order to assess the potential consequences of surface leakage of CO2, it is useful to have a model that executes very quickly for repeated model calculations (e.g., in Monte Carlo mode) of the atmospheric dispersion of CO2 (concentrations as a function of space and time). In addition, the model should be able to handle multiple surface leakage sources. In this study, we have extended the nomograph approach of Britter and McQuaid (1988) for estimating dense gas plume length from single leakage source to multiple leakage sources. The method is very fast and therefore amenable to general system-level GCS risk assessment including uncertainty quantification within the framework of the National Risk Assessment Partnership (NRAP) Integrated Assessment Model (IAM). The method is conservative in that it assumes the wind could be from any direction, and it handles multiple sources by a simple superposition approach. The method produces results in reasonable agreement with a sophisticated computational fluid dynamics (CFD) code, but runs in a small fraction of the time. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Zhang, Yingqi; Oldenburg, Curtis M.; Pan, Lehua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA. RP Zhang, YQ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA. EM yqzhang@lbl.gov RI Zhang, Yingqi/D-1203-2015; Pan, Lehua/G-2439-2015 FU National Risk Assessment Partnership (NRAP) project; Lawrence Berkeley National Laboratory under Department of Energy [DE-AC03-76SF00098] FX This work was supported by the National Risk Assessment Partnership (NRAP) project with support from the Assistant Secretary for Fossil Energy, Office of Coal and Power Systems through the National Energy Technology Laboratory, and by Lawrence Berkeley National Laboratory under Department of Energy Contract No. DE-AC03-76SF00098. NR 22 TC 1 Z9 1 U1 4 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 323 EP 329 DI 10.1016/j.ijggc.2016.03.002 PG 7 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200030 ER PT J AU Siefert, NS Agarwal, S Shi, F Shi, W Roth, EA Hopkinson, D Kusuma, VA Thompson, RL Luebke, DR Nulwala, HB AF Siefert, N. S. Agarwal, S. Shi, F. Shi, W. Roth, E. A. Hopkinson, D. Kusuma, V. A. Thompson, R. L. Luebke, D. R. Nulwala, H. B. TI Hydrophobic physical solvents for pre-combustion CO2 capture: Experiments, computational simulations, and techno-economic analysis SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Precombustion; CO2 capture; Physical solvent; Computational simulation; Techno-economic analysis ID IONIC LIQUIDS; CARBON CAPTURE; POWER-PLANTS; NATURAL-GAS; SEQUESTRATION; PERFORMANCE; ELECTRICITY; TECHNOLOGY; STREAMS; STORAGE AB We synthesized and measured the properties of two new, hydrophobic, physical solvents to capture CO2 from pre-combustion syngas streams at integrated gasification combined cycle (IGCC) power plants, and then estimated their levelized cost of capturing CO2 (LCOC). The first solvent is an amphiphilic solvent containing polar ethylene glycol segments and a non-polar siloxane portion (PEG-Siloxane-1). The second solvent is a hydrophobic ionic liquid: allyl-pyridinium bis(trifluoromethylsulfonyl)imide [aPy][Tf2N]. The LCOC was estimated by importing physical properties of these solvents into AspenPlus, and then conducting a detailed, techno-economic analysis. Finally, the LCOC of these hydrophobic solvents was compared with the LCOC baseline solvent, Selexol. Our results suggest that PEG-Siloxane-1 is cost competitive with Selexol, and that [aPy][Tf2N] could lower the cost of capturing CO2 compared with Selexol, depending on the cost to synthesize this ionic liquid at commercial scale. Published by Elsevier Ltd. C1 [Siefert, N. S.; Agarwal, S.; Shi, F.; Shi, W.; Roth, E. A.; Hopkinson, D.; Kusuma, V. A.; Thompson, R. L.; Luebke, D. R.; Nulwala, H. B.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA USA. [Nulwala, H. B.] Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA. [Shi, F.; Shi, W.; Thompson, R. L.] AECOM URS Corp, Natl Energy Technol Lab, Pittsburgh, PA USA. [Agarwal, S.; Roth, E. A.; Kusuma, V. A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA. RP Siefert, NS; Nulwala, HB (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA USA.; Nulwala, HB (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA. EM nicholas.siefert@netl.doe.gov; hnulwala@andrew.cmu.edu OI Nulwala, Hunaid/0000-0001-7481-3723 FU United States Government FX We thank Hseen Baled, Lynn Brickett, Brian Chang, Jeff Culp, Robert Enick, Alex Hallenbeck, Brian Kail, John Kitchin, Peter Koronaios, Michael Matuszewski, Megan Macala, David Miller, Sarah Narburgh, Regina Woloshun, Paul Zandhuis, Matthew Zeh, and Xu Zhou. This technical effort was performed in support of the U.S. Department of Energy's National Energy Technology Laboratory's fiscal year 2015 Carbon Capture field work proposal. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe on privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 26 TC 2 Z9 2 U1 10 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 364 EP 371 DI 10.1016/j.ijggc.2016.03.014 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200033 ER PT J AU White, JA Foxall, W AF White, Joshua A. Foxall, William TI Assessing induced seismicity risk at CO2 storage projects: Recent progress and remaining challenges SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon capture and storage; Induced seismicity; Risk assessment ID INJECTION-INDUCED SEISMICITY; GEOLOGIC CARBON STORAGE; COGDELL OIL-FIELD; FLUID INJECTION; GROUND-MOTION; EARTHQUAKE SEQUENCE; HAYWARD FAULT; AMBIENT NOISE; CALIFORNIA; MODEL AB It is well established that fluid injection has the potential to induce earthquakes from microseismicity to magnitude 5+ events-by altering state-of-stress conditions in the subsurface. This paper reviews recent lessons learned regarding induced seismicity at carbon storage sites. While similar to other subsurface injection practices, CO2 injection has distinctive features that should be included in a discussion of its seismic hazard. Induced events have been observed at CO2 injection projects, though to date it has not been a major operational issue. Nevertheless, the hazard exists and experience with this issue will likely grow as new storage operations come online. This review paper focuses on specific technical difficulties that can limit the effectiveness of current risk assessment and risk management approaches, and highlights recent research aimed at overcoming them. These challenges form the heart of the induced seismicity problem, and novel solutions to them will advance our ability to responsibly deploy large-scale CO2 storage. (C) 2016 The Authors. Published by Elsevier Ltd. C1 [White, Joshua A.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Foxall, William] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP White, JA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM jawhite@llnl.gov FU U.S. Department of Energy, Office of Fossil Energy, Cross Cutting Research Program; Lawrence Livermore National Laboratory for the Department of Energy [DE-AC52-07NA27344]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was completed as part of the National Risk Assessment Partnership (NRAP) project. Support for this project came from the U.S. Department of Energy, Office of Fossil Energy, Cross Cutting Research Program. This work was performed by Lawrence Livermore National Laboratory for the Department of Energy under contract number DE-AC52-07NA27344 and by Lawrence Berkeley National Laboratory under contract number DE-AC02-05CH11231. NR 116 TC 1 Z9 3 U1 10 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2016 VL 49 BP 413 EP 424 DI 10.1016/j.ijggc.2016.03.021 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DM6JZ UT WOS:000376459200037 ER PT J AU Kuang, JL Huang, LN He, ZL Chen, LX Hua, ZS Jia, P Li, SJ Liu, J Li, JT Zhou, JZ Shu, WS AF Kuang, Jialiang Huang, Linan He, Zhili Chen, Linxing Hua, Zhengshuang Jia, Pu Li, Shengjin Liu, Jun Li, Jintian Zhou, Jizhong Shu, Wensheng TI Predicting taxonomic and functional structure of microbial communities in acid mine drainage SO ISME JOURNAL LA English DT Article ID SPECIES DISTRIBUTION MODELS; NEURAL-NETWORK APPROACH; FALSE DISCOVERY RATE; BACTERIAL DIVERSITY; DISTRIBUTIONS; BIOGEOGRAPHY; PATTERNS; TRAITS; MICROARRAYS; PHYSIOLOGY AB Predicting the dynamics of community composition and functional attributes responding to environmental changes is an essential goal in community ecology but remains a major challenge, particularly in microbial ecology. Here, by targeting a model system with low species richness, we explore the spatial distribution of taxonomic and functional structure of 40 acid mine drainage (AMD) microbial communities across Southeast China profiled by 16S ribosomal RNA pyrosequencing and a comprehensive microarray (GeoChip). Similar environmentally dependent patterns of dominant microbial lineages and key functional genes were observed regardless of the large-scale geographical isolation. Functional and phylogenetic beta-diversities were significantly correlated, whereas functional metabolic potentials were strongly influenced by environmental conditions and community taxonomic structure. Using advanced modeling approaches based on artificial neural networks, we successfully predicted the taxonomic and functional dynamics with significantly higher prediction accuracies of metabolic potentials (average Bray-Curtis similarity 87.8) as compared with relative microbial abundances (similarity 66.8), implying that natural AMD microbial assemblages may be better predicted at the functional genes level rather than at taxonomic level. Furthermore, relative metabolic potentials of genes involved in many key ecological functions (for example, nitrogen and phosphate utilization, metals resistance and stress response) were extrapolated to increase under more acidic and metal-rich conditions, indicating a critical strategy of stress adaptation in these extraordinary communities. Collectively, our findings indicate that natural selection rather than geographic distance has a more crucial role in shaping the taxonomic and functional patterns of AMD microbial community that readily predicted by modeling methods and suggest that the model-based approach is essential to better understand natural acidophilic microbial communities. C1 [Kuang, Jialiang; Huang, Linan; Chen, Linxing; Hua, Zhengshuang; Jia, Pu; Li, Shengjin; Liu, Jun; Li, Jintian; Shu, Wensheng] Sun Yat Sen Univ, State Key Lab Biocontrol, Guangdong Key Lab Plant Resources & Conservat, Guangdong Higher Educ Inst,Coll Ecol & Evolut, Guangzhou 510275, Guangdong, Peoples R China. [Kuang, Jialiang; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Kuang, Jialiang; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Shu, WS (reprint author), Sun Yat Sen Univ, State Key Lab Biocontrol, Guangdong Key Lab Plant Resources & Conservat, Guangdong Higher Educ Inst,Coll Ecol & Evolut, Guangzhou 510275, Guangdong, Peoples R China. EM shuws@mail.sysu.edu.cn FU National Natural Science Foundation of China [U1201233, U1501232]; Major Science and Technology Project of Ministry of Agriculture of the People's Republic of China [2009ZX08009-002B]; Guangdong Province Key Laboratory of Computational Science; Guangdong Province Computational Science Innovative Research Team FX We thank Ping Zhang, Tong Yuan and Caiyun Yang for their experimental assistance with the GeoChip analysis. This work was supported by the National Natural Science Foundation of China (No. U1201233 and U1501232), the Major Science and Technology Project of Ministry of Agriculture of the People's Republic of China (No. 2009ZX08009-002B), the Guangdong Province Key Laboratory of Computational Science and the Guangdong Province Computational Science Innovative Research Team. NR 57 TC 5 Z9 5 U1 38 U2 65 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD JUN PY 2016 VL 10 IS 6 BP 1527 EP 1539 DI 10.1038/ismej.2015.201 PG 13 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DM2UO UT WOS:000376203700019 PM 26943622 ER PT J AU Zhou, XW Ward, DK Zimmerman, JA Cruz-Campa, JL Zubia, D Martin, JE van Swol, F AF Zhou, X. W. Ward, D. K. Zimmerman, J. A. Cruz-Campa, J. L. Zubia, D. Martin, J. E. van Swol, F. TI An atomistically validated continuum model for strain relaxation and misfit dislocation formation SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Molecular dynamics; Misfit dislocations; Lattice-mismatched multilayers; Semiconductor compounds ID CRITICAL-LAYER-THICKNESS; EPITAXIAL MULTILAYERS; MOLECULAR-DYNAMICS; BURGERS VECTORS; STABILITY; INTERFACES; DEFECTS; FILMS; ARRAY; ENERGETICS AB In this paper, molecular dynamics (MD) calculations have been used to examine the physics behind continuum models of misfit dislocation formation and to assess the limitations and consequences of approximations made within these models. Without compromising the physics of misfit dislocations below a surface, our MD calculations consider arrays of dislocation dipoles constituting a mirror imaged "surface". This allows use of periodic boundary conditions to create a direct correspondence between atomistic and continuum representations of dislocations, which would be difficult to achieve with free surfaces. Additionally, by using long-time averages of system properties, we have essentially reduced the errors of atomistic simulations of large systems to "zero". This enables us to deterministically compare atomistic and continuum calculations. Our work results in a robust approach that uses atomistic simulation to accurately calculate dislocation core radius and energy without the continuum boundary conditions typically assumed in the past, and the novel insight that continuum misfit dislocation models can be inaccurate when incorrect definitions of dislocation spacing and Burgers vector in lattice-mismatched systems are used. We show that when these insights are properly incorporated into the continuum model, the resulting energy density expression of the lattice-mismatched systems is essentially indistinguishable from the MD results. Published by Elsevier Ltd. C1 [Zhou, X. W.; Zimmerman, J. A.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. [Ward, D. K.] Sandia Natl Labs, Radiat & Nucl Detect Mat & Anal Dept, Livermore, CA 94550 USA. [Cruz-Campa, J. L.] Sandia Natl Labs, MEMS Technol Dept, POB 5800, Albuquerque, NM 87185 USA. [Zubia, D.] Univ Texas El Paso, Dept Elect Engn, El Paso, TX 79968 USA. [Martin, J. E.] Sandia Natl Labs, Nanoscale Sci Dept, POB 5800, Albuquerque, NM 87185 USA. [van Swol, F.] Sandia Natl Labs, Computat Mat & Data Sci Dept, POB 5800, Albuquerque, NM 87185 USA. RP Zhou, XW (reprint author), Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE [EE0005958]; Laboratory Directed Research and Development (LDRD) [165724] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work was performed under a DOE Project No. EE0005958, and under a Laboratory Directed Research and Development (LDRD) project 165724. NR 35 TC 3 Z9 3 U1 5 U2 16 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 JUN PY 2016 VL 91 BP 265 EP 277 DI 10.1016/j.jmps.2016.03.015 PG 13 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA DM9SR UT WOS:000376706500014 ER PT J AU Li, L Che, L Wang, CM Blecha, JE Li, XL VanBrocklin, HF Calvisi, DF Puchowicz, M Chen, X Seo, Y AF Li, Lei Che, Li Wang, Chunmei Blecha, Joseph E. Li, Xiaolei VanBrocklin, Henry F. Calvisi, Diego F. Puchowicz, Michelle Chen, Xin Seo, Youngho TI [C-11]acetate PET Imaging is not Always Associated with Increased Lipogenesis in Hepatocellular Carcinoma in Mice SO MOLECULAR IMAGING AND BIOLOGY LA English DT Article DE [C-11]acetate; PET; Fatty acid synthase expression; De novo lipogenesis; Hepatocellular carcinoma ID FATTY-ACID SYNTHASE; PROSTATE-CANCER; CELL-PROLIFERATION; LIVER; C-11-ACETATE; EXPRESSION; ACETATE; GROWTH; MOUSE; FAS AB Altered metabolism, including increased glycolysis and de novo lipogenesis, is one of the hallmarks of cancer. Radiolabeled nutrients, including glucose and acetate, are extensively used for the detection of various tumors, including hepatocellular carcinomas (HCCs). High signal of [C-11]acetate positron emission tomography (PET) in tumors is often considered to be associated with increased expression of fatty acid synthase (FASN) and increased de novo lipogenesis in tumor tissues. Defining a subset of tumors with increased [C-11]acetate PET signal and thus increased lipogenesis was suggested to help select a group of patients, who may benefit from lipogenesis-targeting therapies. To investigate whether [C-11]acetate PET imaging is truly associated with increased de novo lipogenesis along with hepatocarcinogenesis, we performed [C-11]acetate PET imaging in wild-type mice as well as two mouse HCC models, induced by myrAKT/Ras(V12) (AKT/Ras) and PIK3CA(1047R)/c-Met (PI3K/Met) oncogene combinations. In addition, we analyzed FASN expression and de novo lipogenesis rate in these mouse liver tissues. We found that while HCCs induced by AKT/Ras co-expression showed high levels of [C-11]acetate PET signal compared to normal liver, HCCs induced by PI3K/Met overexpression did not. Intriguingly, elevated FASN expression and increased de novo lipogenesis rate were observed in both AKT/Ras and PI3K/Met HCCs. Altogether, our study suggests that [C-11]acetate PET imaging can be a useful tool for imaging of a subset of HCCs. However, at molecular level, the increased [C-11]acetate PET imaging is not always associated with increased FASN expression or de novo lipogenesis. C1 [Li, Lei] Huazhong Univ Sci & Technol, Tongji Med Coll, Sch Pharm, Wuhan 430074, Hubei, Peoples R China. [Li, Lei; Che, Li; Wang, Chunmei; Li, Xiaolei; Chen, Xin] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA. [Blecha, Joseph E.; VanBrocklin, Henry F.; Seo, Youngho] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. [Calvisi, Diego F.] Ernst Moritz Arndt Univ Greifswald, Inst Pathol, Greifswald, Germany. [Puchowicz, Michelle] Case Western Reserve Univ, Dept Nutr, Cleveland, OH 44106 USA. [Seo, Youngho] Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA USA. [Seo, Youngho] Univ Calif San Francisco, UCSF UC Berkeley Joint Grad Grp Bioengn, San Francisco, CA 94143 USA. [Seo, Youngho] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. [Seo, Youngho] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, UCSF Phys Res Lab, San Francisco, CA 94143 USA. RP Chen, X (reprint author), Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA.; Seo, Y (reprint author), Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA.; Seo, Y (reprint author), Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA USA.; Seo, Y (reprint author), Univ Calif San Francisco, UCSF UC Berkeley Joint Grad Grp Bioengn, San Francisco, CA 94143 USA.; Seo, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.; Seo, Y (reprint author), Univ Calif San Francisco, Dept Radiol & Biomed Imaging, UCSF Phys Res Lab, San Francisco, CA 94143 USA. EM xin.chen@ucsf.edu; youngho.seo@ucsf.edu FU University of California, San Francisco (UCSF) Radiology Seed Grant; UCSF Liver Center Pilot/Feasibility Grant [P30DK026743]; National Institutes of Health/National Cancer Institute (NIH/NCI); UCSF Helen Diller Family Comprehensive Cancer Center [P30CA082103]; NIH/NCI [R01CA136606]; NIH [U24DK76174]; National Natural Science Foundation of China [81201553] FX We would like to thank Mariia Yuneva for her thoughtful comments for the manuscript. We also thank Stephanie T. Murphy for her immense help on animal imaging. This work was supported in part by the University of California, San Francisco (UCSF) Radiology Seed Grant, UCSF Liver Center Pilot/Feasibility Grant (P30DK026743), National Institutes of Health/National Cancer Institute (NIH/NCI), and UCSF Helen Diller Family Comprehensive Cancer Center (P30CA082103) to Youngho Seo; NIH/NCI grant (R01CA136606) to Xin Chen; NIH (U24DK76174) to Case Western Reserve University Mouse Metabolic Phenotyping Center (MMPC); and the National Natural Science Foundation of China (Grant No. 81201553) to Lei Li. NR 59 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1536-1632 EI 1860-2002 J9 MOL IMAGING BIOL JI Mol. Imaging. Biol. PD JUN PY 2016 VL 18 IS 3 BP 360 EP 367 DI 10.1007/s11307-015-0915-8 PG 8 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA DM8OK UT WOS:000376623600007 PM 26567114 ER PT J AU Herlihy, DM Waegele, MM Chen, XH Pemmaraju, CD Prendergast, D Cuk, T AF Herlihy, David M. Waegele, Matthias M. Chen, Xihan Pemmaraju, C. D. Prendergast, David Cuk, Tanja TI Detecting the oxyl radical of photocatalytic water oxidation at an n-SrTiO3/aqueous interface through its subsurface vibration SO NATURE CHEMISTRY LA English DT Article ID OXYGEN EVOLUTION REACTION; X-RAY SPECTROSCOPY; PHOTOSYSTEM-II; TEMPERATURE-DEPENDENCE; IR SPECTROSCOPY; FILM ELECTRODE; CATALYST; INTERMEDIATE; SRTIO3; PHOTOELECTRODES AB Although the water oxidation cycle involves the critical step of O-O bond formation, the transition metal oxide radical thought to be the catalytic intermediate for this step has eluded direct observation. The radical represents the transformation of charge into a nascent catalytic intermediate, which lacks a newly formed bond and is therefore inherently difficult to detect. Here, using theoretical calculations and ultrafast in situ infrared spectroscopy of photocatalysis at an n-SrTiO3/aqueous interface, we reveal a subsurface vibration of the oxygen directly below, and uniquely generated by, the oxyl radical (Ti-O-center dot). Intriguingly, this interfacial Ti-O stretch vibration, once decoupled from the lattice, couples to reactant dynamics (water librations). These experiments demonstrate subsurface vibrations and their coupling to solvent and electron dynamics to detect nascent catalytic intermediates at the solid-liquid interface at the molecular level. One can envision using the subsurface vibrations and their coupling across the interface to track and control catalysis dynamically. C1 [Herlihy, David M.; Waegele, Matthias M.; Chen, Xihan; Cuk, Tanja] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Pemmaraju, C. D.; Cuk, Tanja] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Pemmaraju, C. D.; Prendergast, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Cuk, T (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Cuk, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM tanjacuk@berkeley.edu RI Chen, Xihan/M-9210-2016 OI Chen, Xihan/0000-0001-7907-2549 FU Air Force Office of Scientific Research (AFOSR) [FA9550-12-1-0337]; Department of Energy (DOE) Office of Basic Energy Sciences (CPIMS program) [KC030102]; Department of Energy (DOE) Office of Basic Energy Sciences (FWP) [CH12CUK1]; User Project at The Molecular Foundry (TMF), LBNL; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX This research is based on work supported by the Air Force Office of Scientific Research (AFOSR, award no. FA9550-12-1-0337), which supplied the 64-element infrared array detector and partially supported a postdoctoral fellow, and by the Department of Energy (DOE) Office of Basic Energy Sciences (CPIMS program no. KC030102, FWP no. CH12CUK1), which supported two graduate students. The theory work of C.D.P. and D.P. was supported by a User Project at The Molecular Foundry (TMF), LBNL, with calculations performed on its computing resources, Nano and Vulcan, managed by the High Performance Computing Services Group of LBNL, and on the Cray XE6 Hopper computer at the National Energy Research Scientific Computing Center (NERSC), LBNL. Both TMF and NERSC are DOE Office of Science User Facilities supported by the Office of Science of the US Department of Energy (contract no. DE-AC02-05CH11231). NR 45 TC 9 Z9 9 U1 24 U2 69 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JUN PY 2016 VL 8 IS 6 BP 549 EP 555 DI 10.1038/NCHEM.2497 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DM7HK UT WOS:000376529000009 PM 27219698 ER PT J AU Saavedra, J Whittaker, T Chen, ZF Pursell, CJ Rioux, RM Chandler, BD AF Saavedra, Johnny Whittaker, Todd Chen, Zhifeng Pursell, Christopher J. Rioux, Robert M. Chandler, Bert D. TI Controlling activity and selectivity using water in the Au-catalysed preferential oxidation of CO in H-2 SO NATURE CHEMISTRY LA English DT Article ID AU/TIO2 CATALYST; GOLD NANOPARTICLES; NANOCRYSTALLINE CEO2; REACTIVE OXYGEN; CARBON-MONOXIDE; H-2-RICH GASES; DEACTIVATION; ADSORPTION; CLUSTERS; HYDROGEN AB Industrial hydrogen production through methane steam reforming exceeds 50 million tons annually and accounts for 2-5% of global energy consumption. The hydrogen product, even after processing by the water-gas shift, still typically contains similar to 1% CO, which must be removed for many applications. Methanation (CO + 3H(2) -> CH4 + H2O) is an effective solution to this problem, but consumes 5-15% of the generated hydrogen. The preferential oxidation (PROX) of CO with O-2 in hydrogen represents a more-efficient solution. Supported gold nanoparticles, with their high CO-oxidation activity and notoriously low hydrogenation activity, have long been examined as PROX catalysts, but have shown disappointingly low activity and selectivity. Here we show that, under the proper conditions, a commercial Au/Al2O3 catalyst can remove CO to below 10 ppm and still maintain an O-2-to-CO2 selectivity of 80-90%. The key to maximizing the catalyst activity and selectivity is to carefully control the feed-flow rate and maintain one to two monolayers of water (a key CO-oxidation co-catalyst) on the catalyst surface. C1 [Saavedra, Johnny; Whittaker, Todd; Pursell, Christopher J.; Chandler, Bert D.] Trinity Univ, Dept Chem, San Antonio, TX 78212 USA. [Saavedra, Johnny] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chen, Zhifeng; Rioux, Robert M.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [Rioux, Robert M.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. RP Chandler, BD (reprint author), Trinity Univ, Dept Chem, San Antonio, TX 78212 USA. EM bert.chandler@trinity.edu FU US National Science Foundation [CBET-1160217, CHE-1012395]; Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, Catalysis Sciences Program [DE-FG02-12ER16364] FX The authors kindly thank J. Kenvin (Micromeritics Instrument Corporation) and S.M.K. Shahri (Pennsylvania State University) for assistance with the measurement of the water-adsorption isotherms. The authors gratefully acknowledge the US National Science Foundation (Grant No CBET-1160217 and No. CHE-1012395) for financial support of this work. Z.C. and R.M.R. acknowledge the Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, Catalysis Sciences Program under grant No. DE-FG02-12ER16364 for partial funding of this research. NR 49 TC 5 Z9 5 U1 40 U2 93 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JUN PY 2016 VL 8 IS 6 BP 585 EP 590 DI 10.1038/NCHEM.2494 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA DM7HK UT WOS:000376529000015 ER PT J AU Wilk, P AF Wilk, Philip TI Probing bohrium SO NATURE CHEMISTRY LA English DT Editorial Material ID ELEMENT 107 C1 [Wilk, Philip] US DOE, Off Basic Energy Sci, Washington, DC USA. RP Wilk, P (reprint author), US DOE, Off Basic Energy Sci, Washington, DC USA. EM Philip.Wilk@me.com NR 4 TC 0 Z9 0 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JUN PY 2016 VL 8 IS 6 BP 634 EP 634 DI 10.1038/nchem.2530 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA DM7HK UT WOS:000376529000022 PM 27219710 ER PT J AU Xue, K Yuan, MM Shi, ZJ Qin, YJ Deng, Y Cheng, L Wu, LY He, ZL Van Nostrand, JD Bracho, R Natali, S Schuur, EAG Luo, CW Konstantinidis, KT Wang, Q Cole, JR Tiedje, JM Luo, YQ Zhou, JZ AF Xue, Kai Yuan, Mengting M. Shi, Zhou J. Qin, Yujia Deng, Ye Cheng, Lei Wu, Liyou He, Zhili Van Nostrand, Joy D. Bracho, Rosvel Natali, Susan Schuur, Edward. A. G. Luo, Chengwei Konstantinidis, Konstantinos T. Wang, Qiong Cole, James R. Tiedje, James M. Luo, Yiqi Zhou, Jizhong TI Tundra soil carbon is vulnerable to rapid microbial decomposition under climate warming SO NATURE CLIMATE CHANGE LA English DT Article ID PERMAFROST THAW; ALASKAN TUNDRA; SPECIES COMPOSITION; COMMUNITY STRUCTURE; PRODUCTIVITY; SEQUENCES; NITROGEN; QUALITY; THERMOKARST; ABUNDANCE AB Microbial decomposition of soil carbon in high-latitude tundra underlain with permafrost is one of the most important, but poorly understood, potential positive feedbacks of greenhouse gas emissions from terrestrial ecosystems into the atmosphere in a warmer world(1-4). Using integrated metagenomic technologies, we showed that the microbial functional community structure in the active layer of tundra soil was significantly altered after only 1.5 years of warming, a rapid response demonstrating the high sensitivity of this ecosystem to warming. The abundances of microbial functional genes involved in both aerobic and anaerobic carbon decomposition were also markedly increased by this short-term warming. Consistent with this, ecosystem respiration (R-eco) increased up to 38%. In addition, warming enhanced genes involved in nutrient cycling, which very likely contributed to an observed increase (30%) in gross primary productivity (GPP). However, the GPP increase did not offset the extra R-eco, resulting in significantly more net carbon loss in warmed plots compared with control plots. Altogether, our results demonstrate the vulnerability of active-layer soil carbon in this permafrost-based tundra ecosystem to climatewarming and the importance C1 [Xue, Kai; Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Xue, Kai; Yuan, Mengting M.; Shi, Zhou J.; Qin, Yujia; Deng, Ye; Cheng, Lei; Wu, Liyou; He, Zhili; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Xue, Kai; Yuan, Mengting M.; Shi, Zhou J.; Qin, Yujia; Deng, Ye; Cheng, Lei; Wu, Liyou; He, Zhili; Van Nostrand, Joy D.; Luo, Yiqi; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Beijing 10085, Peoples R China. [Cheng, Lei] Zhejiang Univ, Coll Life Sci, Hangzhou 310058, Zhejiang, Peoples R China. [Bracho, Rosvel; Schuur, Edward. A. G.] Univ Florida, Dept Biol, Gainesville, FL 32611 USA. [Natali, Susan] Woods Hole Res Ctr, Falmouth, MA 02540 USA. [Schuur, Edward. A. G.] No Arizona Univ, Dept Biol Sci, Ctr Ecosyst Sci & Soc, Flagstaff, AZ 86001 USA. [Luo, Chengwei; Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Luo, Chengwei; Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Wang, Qiong; Cole, James R.; Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. RP Zhou, JZ (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.; Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA.; Zhou, JZ (reprint author), Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.; Zhou, JZ (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. EM jzhou@ou.edu RI Van Nostrand, Joy/F-1740-2016; OI Van Nostrand, Joy/0000-0001-9548-6450; ?, ?/0000-0002-7584-0632 FU US Department of Energy, Office of Science, Genomic Science Program [DE-SC0004601, DE-SC0010715]; NSF LTER program; Office of the Vice President for Research at the University of Oklahoma; Collaborative Innovation Center for Regional Environmental Quality FX This material is based upon work supported by the US Department of Energy, Office of Science, Genomic Science Program under Award Numbers DE-SC0004601 and DE-SC0010715, the NSF LTER program, the Office of the Vice President for Research at the University of Oklahoma, and the Collaborative Innovation Center for Regional Environmental Quality. NR 74 TC 12 Z9 12 U1 47 U2 84 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X EI 1758-6798 J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD JUN PY 2016 VL 6 IS 6 BP 595 EP + DI 10.1038/NCLIMATE2940 PG 9 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DM6ZC UT WOS:000376500600014 ER PT J AU Farmer, WA Morales, GJ AF Farmer, W. A. Morales, G. J. TI Stability of drift-cyclotron loss-cone waves in H-mode plasmas SO NUCLEAR FUSION LA English DT Article DE tokamaks; drift-cyclotron instability; H-mode ID RADIAL ELECTRIC-FIELD; CYLINDRICAL GEOMETRY; TOKAMAK; EDGE; INSTABILITY AB The drift-cyclotron loss-cone mode was first studied in mirror machines. In such devices, particles with small pitch angles are not confined, creating a hole in the velocity distribution function that is a source of free energy and leads to micro-instabilities in the cyclotron-range of frequencies. In the edge region of tokamak devices operating under H-mode conditions, ion loss also occurs. In this case, gradient drift carries ions moving opposite to the plasma current preferentially into the divertor, creating a one-sided loss cone. A simple analysis shows that for the quiescent H-mode plasmas in DIII-D the critical gradient for instability is exceeded within 2 cm of the separatrix, and the maximum growth rate at the separatrix is 3 x 10(7) s(-1). C1 [Farmer, W. A.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Morales, G. J.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Farmer, WA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM farmer10@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank Dr J.S. deGrassie for suggesting this study, for helpful comments, and for providing access to the experimental results. This work was supported by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 14 TC 0 Z9 0 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2016 VL 56 IS 6 AR 064003 DI 10.1088/0029-5515/56/6/064003 PG 4 WC Physics, Fluids & Plasmas SC Physics GA DM6FM UT WOS:000376446000003 ER PT J AU Liu, JB Guo, HY Wang, L Xu, GS Xia, TY Liu, SC Xu, XQ Li, J Chen, L Yan, N Wang, HQ Xu, JC Feng, W Shao, LM Deng, GZ Liu, H AF Liu, J. B. Guo, H. Y. Wang, L. Xu, G. S. Xia, T. Y. Liu, S. C. Xu, X. Q. Li, Jie Chen, L. Yan, N. Wang, H. Q. Xu, J. C. Feng, W. Shao, L. M. Deng, G. Z. Liu, H. CA EAST Probe Team TI In-out asymmetry of divertor particle flux in H-mode with edge localized modes on EAST SO NUCLEAR FUSION LA English DT Article DE EAST; divertor asymmetry; edge localized modes (ELMs); drifts and transport ID SCRAPE-OFF-LAYER; SOL PLASMA-FLOW; ASDEX-UPGRADE; FIELD REVERSAL; DIII-D; JET; TRANSPORT; TOKAMAK; JT-60U; HEAT AB The in-out divertor asymmetry in the Experimental Advanced Superconducting Tokamak (EAST), as manifested by particle fluxes measured by the divertor triple Langmuir probe arrays, is significantly enhanced during type-I edge localized modes (ELMs), favoring the inner divertor in lower single null (LSN) for the normal toroidal field (B-t) direction, i.e. with the ion B x del B direction towards the lower X-point, while the in-out asymmetry is reversed when the ion B x del B is directed away from the lower X-point. The plasma flow measured by the Mach probe at the outer midplane is in the ion Pfirsch-Schluter (PS) flow direction, opposite to both B x del B and E x B drifts, i.e. towards the inner divertor for normal Bt, and the outer divertor for reverse Bt, consistent with the observed in-out divertor asymmetry in particle fluxes. Since the particle source from an ELM event is predominantly located near the outer midplane, this new finding suggests a critical role of the PS flow in driving the in-out divertor asymmetry. The divertor asymmetry during type-III ELMs exhibits a similar trend to that during type-I ELMs. Strong in-out divertor asymmetry is also present during inter-ELM and ELM-free phases for the normal field direction, i.e. with more particle flux to the lower inner divertor target, but the peak particle flux merely becomes more symmetric, or slightly reversed, for reverse B-t, i.e. reversed B x del B drift direction. C1 [Liu, J. B.; Guo, H. Y.; Wang, L.; Xu, G. S.; Xia, T. Y.; Liu, S. C.; Li, Jie; Chen, L.; Yan, N.; Wang, H. Q.; Xu, J. C.; Feng, W.; Shao, L. M.; Deng, G. Z.; Liu, H.; EAST Probe Team] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Guo, H. Y.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Wang, L.] Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China. [Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Guo, HY; Wang, L (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.; Guo, HY (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.; Wang, L (reprint author), Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China. EM hyguo@ipp.ac.cn; lwang@ipp.ac.cn FU National Magnetic Confinement Fusion Science Program of China [2013GB107003, 2015GB101000, 2013GB106000, 2013GB107000]; National Natural Science Foundation of China [11422546, 11575235, 11575236, 11405213]; scientific research grant of Hefei Science Center of CAS [2015SRG-HSC001, 2015SRG-HSC008]; Magnetic Confinement Innovation Team Plan of the Chinese Academy of Sciences; Thousand Talent Plan of China FX We would like to acknowledge the support and contributions from the rest of the EAST team. This work was supported by National Magnetic Confinement Fusion Science Program of China under Contracts Nos. 2013GB107003, 2015GB101000, 2013GB106000, 2013GB107000, and National Natural Science Foundation of China under Contracts Nos. 11422546, 11575235, 11575236,11422546 and 11405213. This work was also supported by a scientific research grant of Hefei Science Center of CAS under contracts 2015SRG-HSC001 and 2015SRG-HSC008 and the Magnetic Confinement Innovation Team Plan of the Chinese Academy of Sciences, as well as the Thousand Talent Plan of China. NR 41 TC 0 Z9 0 U1 25 U2 33 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2016 VL 56 IS 6 AR 066006 DI 10.1088/0029-5515/56/6/066006 PG 11 WC Physics, Fluids & Plasmas SC Physics GA DM6FM UT WOS:000376446000010 ER PT J AU Liu, J Wang, YL Qin, H AF Liu, Jian Wang, Yulei Qin, Hong TI Collisionless pitch-angle scattering of runaway electrons SO NUCLEAR FUSION LA English DT Article DE runaway electron; neoclassical scattering; pitch-angle scattering; volume-preserving algorithm; energy limit; gyro-center model; toroidal geometry ID SYNCHROTRON-RADIATION; CURRENT TERMINATION; TOKAMAK; DISRUPTIONS; GENERATION; PLASMAS; TEXTOR; JET; ACCELERATION; DISCHARGES AB It is discovered that the tokamak field geometry generates a toroidicity induced broadening of the pitch-angle distribution of runaway electrons. This collisionless pitch-angle scattering is much stronger than the collisional scattering and invalidates the gyro-center model for runaway electrons. As a result, the energy limit of runaway electrons is found to be larger than the prediction of the gyro-center model and to depend heavily on the background magnetic field. C1 [Liu, Jian; Wang, Yulei; Qin, Hong] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. [Liu, Jian; Wang, Yulei; Qin, Hong] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Liu, Jian; Wang, Yulei] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Qin, H (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.; Qin, H (reprint author), Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.; Qin, H (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM hongqin@ustc.edu.cn FU National Magnetic Confinement Fusion Energy Research Project [2015GB111003, 2014GB124005]; National Natural Science Foundation of China [NSFC-11575185, 11575186, 11305171]; SPS-NRF-NSFC A3 Foresight Program [NSFC-11261140328]; CAS Program for Interdisciplinary Collaboration Team; GeoAlgorithmic Plasma Simulator (GAPS) Project FX This research is supported by National Magnetic Confinement Fusion Energy Research Project (2015GB111003, 2014GB124005), National Natural Science Foundation of China (NSFC-11575185, 11575186, 11305171), JSPS-NRF-NSFC A3 Foresight Program (NSFC-11261140328), the CAS Program for Interdisciplinary Collaboration Team, and the GeoAlgorithmic Plasma Simulator (GAPS) Project. NR 51 TC 2 Z9 2 U1 9 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2016 VL 56 IS 6 AR 064002 DI 10.1088/0029-5515/56/6/064002 PG 7 WC Physics, Fluids & Plasmas SC Physics GA DM6FM UT WOS:000376446000002 ER PT J AU Schmitz, O Becoulet, M Cahyna, P Evans, TE Feng, Y Frerichs, H Loarte, A Pitts, RA Reiser, D Fenstermacher, ME Harting, D Kirschner, A Kukushkin, A Lunt, T Saibene, G Reiter, D Samm, U Wiesen, S AF Schmitz, O. Becoulet, M. Cahyna, P. Evans, T. E. Feng, Y. Frerichs, H. Loarte, A. Pitts, R. A. Reiser, D. Fenstermacher, M. E. Harting, D. Kirschner, A. Kukushkin, A. Lunt, T. Saibene, G. Reiter, D. Samm, U. Wiesen, S. TI Three-dimensional modeling of plasma edge transport and divertor fluxes during application of resonant magnetic perturbations on ITER SO NUCLEAR FUSION LA English DT Article DE resonant magnetic perturbations; plasma edge physics; 3D modeling; neutral particle physics; ITER; divertor heat and particle loads; ELM control ID DIII-D DIVERTOR; HOMOCLINIC TANGLES; ISLAND DIVERTORS; TOKAMAK PLASMAS; TV SYSTEM; PHYSICS; W7-AS; STABILITY; CODE; GEOMETRY AB Results from three-dimensional modeling of plasma edge transport and plasma-wall interactions during application of resonant magnetic perturbation (RMP) fields for control of edge-localized modes in the ITER standard 15 MA Q = 10 H-mode are presented. The full 3D plasma fluid and kinetic neutral transport code EMC3-EIRENE is used for the modeling. Four characteristic perturbed magnetic topologies are considered and discussed with reference to the axisymmetric case without RMP fields. Two perturbation field amplitudes at full and half of the ITER ELM control coil current capability using the vacuum approximation are compared to a case including a strongly screening plasma response. In addition, a vacuum field case at high q(95) = 4.2 featuring increased magnetic shear has been modeled. Formation of a three-dimensional plasma boundary is seen for all four perturbed magnetic topologies. The resonant field amplitudes and the effective radial magnetic field at the separatrix define the shape and extension of the 3D plasma boundary. Opening of the magnetic field lines from inside the separatrix establishes scrape-off layer-like channels of direct parallel particle and heat flux towards the divertor yielding a reduction of the main plasma thermal and particle confinement. This impact on confinement is most accentuated at full RMP current and is strongly reduced when screened RMP fields are considered, as well as for the reduced coil current cases. The divertor fluxes are redirected into a three-dimensional pattern of helical magnetic footprints on the divertor target tiles. At maximum perturbation strength, these fingers stretch out as far as 60 cm across the divertor targets, yielding heat flux spreading and the reduction of peak heat fluxes by 30%. However, at the same time substantial and highly localized heat fluxes reach divertor areas well outside of the axisymmetric heat flux decay profile. Reduced RMP amplitudes due to screening or reduced RMP coil current yield a reduction of the width of the divertor flux spreading to about 20-25 cm and cause increased peak heat fluxes back to values similar to those in the axisymmetric case. The dependencies of these features on the divertor recycling regime and the perpendicular transport assumptions, as well as toroidal averaged effects mimicking rotation of the RMP field, are discussed in the paper. C1 [Schmitz, O.; Frerichs, H.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Becoulet, M.] CEA IRFM, F-13108 Cadarache, St Paul Lez Dur, France. [Cahyna, P.] Inst Plasma Phys AS CR, Za Slovankou 3, Prague 18200 8, Czech Republic. [Evans, T. E.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Feng, Y.; Lunt, T.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Loarte, A.; Pitts, R. A.; Kukushkin, A.] ITER Org, Route Vinon Sur Verdon,CS 90 04, F-13067 St Paul Les Durance, France. [Reiser, D.; Fenstermacher, M. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Harting, D.; Kirschner, A.; Reiter, D.; Samm, U.; Wiesen, S.] Forschungszentrum Julich, Inst Energie & Klimaforsch Plasmaphys, Partner Trilateral Euregio Cluster TEC, D-52425 Julich, Germany. [Saibene, G.] Fus Energy, Edificio B3, Barcelona 08019, Spain. [Saibene, G.] Torres Diagonal Litoral, Dev Fus Energy, Edificio B3, Barcelona 08019, Spain. [Kukushkin, A.] NRC Kurchatov Inst, Moscow 123182, Russia. [Kukushkin, A.] Natl Res Nucl Univ MEPhI, Moscow 115409, Russia. RP Schmitz, O (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM oschmitz@wisc.edu RI Evans, Todd/I-7233-2016 FU ITER [IO/CT/11/4300000497]; Fusion for Energy (F4E) grant [GRT-055(PMS-PE)]; Department of Energy [DE-SC0013911]; European Fusion Development Agreement (EUROfusion); Department of Engineering Physics; College of Engineering at the University of Wisconsin-Madison FX This work was started in the Institute for Energy-and Climate Research at the Research Center Juelich where it was supported by ITER task IO/CT/11/4300000497 and Fusion for Energy (F4E) grant GRT-055(PMS-PE). The work was continued and finalized under Startup Funds of the Department of Engineering Physics and the College of Engineering at the University of Wisconsin-Madison where it was also funded by the Department of Energy under Early Career Award Grant DE-SC0013911.; Generous provision of computing resources by the John von Neuman Institute for Computing (NIC) at the Juelich Supercomputing Centre (JSC), Germany, is gratefully acknowledged. Modeling was done on the JUROPA supercomputer operated by JSC and the Fusion-HPC supercomputer funded by the European Fusion Development Agreement (previously EFDA, now EUROfusion). NR 93 TC 6 Z9 6 U1 9 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2016 VL 56 IS 6 AR 066008 DI 10.1088/0029-5515/56/6/066008 PG 22 WC Physics, Fluids & Plasmas SC Physics GA DM6FM UT WOS:000376446000012 ER PT J AU Xiao, WW Evans, TE Tynan, GR Eldon, D AF Xiao, W. W. Evans, T. E. Tynan, G. R. Eldon, D. TI Location of the first plasma response to resonant magnetic perturbations in DIII-D H-mode plasmas SO NUCLEAR FUSION LA English DT Article DE resonant magnetic perturbation (RMP); resonant location; rational surface ID TOKAMAK PLASMAS; TRANSPORT; STABILITY AB The resonant location of the first plasma response to periodic toroidal phase flips of a resonant magnetic perturbation (RMP) field is experimentally identified in the DIII-D tokamak using phase minima of the modulated plasma density and toroidal rotation relative to the RMP field. The plasma response coincides with the q = 3 rational surface and electron fluid velocity null, which is consistent with simulations of the plasma response to the RMP field from resistive magnetohydrodynamics (MHD) modeling. An asymmetric propagation of the particle and the momentum transport from the resonant location of the plasma response to the RMP into the core and into the plasma edge is observed. C1 [Xiao, W. W.; Tynan, G. R.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. [Xiao, W. W.] Southwestern Inst Phys, POB 432, Chengdu, Peoples R China. [Evans, T. E.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Eldon, D.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Xiao, WW (reprint author), Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA.; Xiao, WW (reprint author), Southwestern Inst Phys, POB 432, Chengdu, Peoples R China. EM xiaoww@swip.ac.cn RI Evans, Todd/I-7233-2016 FU US Department of Energy [DE-FG02-08ER54999, DE-FC02-04ER54698 DE-FG03-97ER54415, DE-FG02-89ER53296, DE-FG02-07ER54917, DE-AC02-09CH11466, DE-SC0001961, 11175056, 11575055, 2013GB107000] FX This work was supported in part by the US Department of Energy under DE-FG02-08ER54999, DE-FC02-04ER54698 DE-FG03-97ER54415, DE-FG02-89ER53296, DE-FG02-07ER54917, DE-FG02-07ER54917, DE-AC02-09CH11466, DE-SC0001961 and the Nos. 11175056, 11575055 and 2013GB107000. NR 26 TC 0 Z9 0 U1 2 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2016 VL 56 IS 6 AR 064001 DI 10.1088/0029-5515/56/6/064001 PG 5 WC Physics, Fluids & Plasmas SC Physics GA DM6FM UT WOS:000376446000001 ER PT J AU McCluskey, K Alvarez, A Bennett, R Bokati, D Boundy-Mills, K Brown, D Bull, CT Coffey, M Dreaden, T Duke, C Dye, G Ehmke, E Eversole, K Fenstermacher, K Geiser, D Glaeser, JA Greene, S Gribble, L Griffith, MP Hanser, K Humber, R Johnson, BW Kermode, A Krichevsky, M Laudon, M Leach, J Leslie, J May, M Melcher, U Nobles, D Fonseca, NR Robinson, S Ryan, M Scott, J Silflow, C Vidaver, A Webb, KM Wertz, JE Yentsch, S Zehr, S AF McCluskey, Kevin Alvarez, Anne Bennett, Rick Bokati, Deepak Boundy-Mills, Kyria Brown, Daniel Bull, Carolee T. Coffey, Michael Dreaden, Tyler Duke, Clifford Dye, Greg Ehmke, Erin Eversole, Kellye Fenstermacher, Kristi Geiser, David Glaeser, Jessie A. Greene, Stephanie Gribble, Lisa Griffith, M. Patrick Hanser, Kathryn Humber, Richard Johnson, Barbara W. Kermode, Anthony Krichevsky, Micah Laudon, Matt Leach, Jan Leslie, John May, Meghan Melcher, Ulrich Nobles, David Fonseca, Natalia Risso Robinson, Sara Ryan, Matthew Scott, James Silflow, Carolyn Vidaver, Anne Webb, Kimberly M. Wertz, John E. Yentsch, Sara Zehr, Sarah TI The US Culture Collection Network Lays the Foundation for Progress in Preservation of Valuable Microbial Resources SO PHYTOPATHOLOGY LA English DT Review ID PLANT PATHOLOGY; DIVERSITY; STRAINS; FUNGUS; FUTURE; RESISTANCE; BENEFITS; FUSARIUM; L. AB The U.S. Culture Collection Network was formed in 2012 by a group of culture collection scientists and stakeholders in order to continue the progress established previously through efforts of an ad hoc group. The network is supported by a Research Coordination Network grant from the U.S. National Science Foundation (NSF) and has the goals of promoting interaction among collections, encouraging the adoption of best practices, and protecting endangered or orphaned collections. After prior meetings to discuss best practices, shared data, and synergy with genome programs, the network held a meeting at the U.S. Department of Agriculture (USDA)-Agricultural Research Service (ARS) National Center for Genetic Resources Preservation (NCGRP) in Fort Collins, Colorado in October 2015 specifically to discuss collections that are vulnerable because of changes in funding programs, or are at risk of loss because of retirement or lack of funding. The meeting allowed collection curators who had already backed up their resources at the USDA NCGRP to visit the site, and brought collection owners, managers, and stakeholders together. Eight formal collections have established off-site backups with the USDA-ARS, ensuring that key material will be preserved for future research. All of the collections with backup at the NCGRP are public distributing collections including U.S. NSF-supported genetic stock centers, USDA-ARS collections, and university-supported collections. Facing the retirement of several pioneering researchers, the community discussed the value of preserving personal research collections and agreed that a mechanism to preserve these valuable collections was essential to any future national culture collection system. Additional input from curators of plant and animal collections emphasized that collections of every kind face similar challenges in developing long-range plans for sustainability. C1 [McCluskey, Kevin; Leslie, John] Kansas State Univ, Dept Plant Pathol, Throckmorton Hall, Manhattan, KS 66506 USA. [Alvarez, Anne] Univ Hawaii, Dept Plant & Environm Protect Sci, Manoa, HI USA. [Bennett, Rick] Univ Kentucky, Kentucky Agr Expt Stn, Lexington, KY 40506 USA. [Bokati, Deepak] Samuel Roberts Noble Fdn Inc, Ardmore, OK USA. [Boundy-Mills, Kyria] Univ Calif Davis, Phaff Yeast Culture Collect Food Sci & Technol, Davis, CA 95616 USA. [Brown, Daniel] Univ Florida, Dept Infect Dis & Pathol, Gainesville, FL USA. [Bull, Carolee T.; Fenstermacher, Kristi; Geiser, David] Penn State Univ, Plant Pathol & Environm Microbiol, University Pk, PA 16802 USA. [Coffey, Michael] Univ Calif Riverside, World Phytophthora Resource, Riverside, CA 92521 USA. [Dreaden, Tyler] US Forest Serv, USDA, Southern Res Stn, Forest Hlth Res & Educ Ctr, Lexington, KY USA. [Duke, Clifford] Ecol Soc Amer, Off Sci Programs, Washington, DC USA. [Dye, Greg; Ehmke, Erin; Zehr, Sarah] Duke Univ, Duke Lemur Ctr, Durham, NC USA. [Eversole, Kellye] Eversole Associates, 5207 Wyoming Rd, Bethesda, MD USA. [Glaeser, Jessie A.] US Forest Serv, USDA, Forest Prod Lab, Madison, WI USA. [Greene, Stephanie] USDA, Natl Lab Genet Resources Preservat, Ft Collins, CO USA. [Gribble, Lisa] Sandia Natl Labs, Int Biol & Chem Threat Reduct, POB 5800, Albuquerque, NM 87185 USA. [Griffith, M. Patrick] Montgomery Bot Ctr, Coral Gables, FL USA. [Hanser, Kathryn] N Carolina State Univ, Larry F Grand Mycol Herbarium, Raleigh, NC 27695 USA. [Humber, Richard; Ryan, Matthew] USDA ARS, Collect Entomopathogen Fungal Cultures, Robert W Holley Ctr Agr & Hlth, Ithaca, NY 14853 USA. [Johnson, Barbara W.] US Ctr Dis Control & Prevent, Div Vector Borne Dis, Ft Collins, CO USA. [Kermode, Anthony] CABI, Bakeham Lane, Egham, Surrey, England. [Krichevsky, Micah] Bion Int, Silver Spring, MD USA. [Laudon, Matt] Univ Minnesota, Dept Plant Biol, Chlamydomonas Resource Ctr, St Paul, MN 55108 USA. [Leach, Jan; Silflow, Carolyn] Colorado State Univ, Dept Bioagr Sci & Pest Management, Ft Collins, CO 80523 USA. [May, Meghan] Univ New England, Coll Osteopath Med, Dept Biomed Sci, Biddeford, ME USA. [Melcher, Ulrich] Oklahoma State Univ, Dept Biochem & Mol Biol, Stillwater, OK 74078 USA. [Nobles, David] Univ Texas Austin, UTEX Culture Collect Algae, Austin, TX 78712 USA. [Fonseca, Natalia Risso] USDA, Rocky Mt Res Stn, Moscow, ID USA. [Robinson, Sara] Oregon State Univ, Coll Forestry, Corvallis, OR 97331 USA. [Scott, James] Univ Toronto, Occupat & Environm Hlth, Toronto, ON M5S 1A1, Canada. [Vidaver, Anne] Univ Nebraska, Dept Plant Pathol, Lincoln, NE 68583 USA. [Webb, Kimberly M.] USDA ARS, Soil Management & Sugar Beet Res Unit, Ft Collins, CO 80526 USA. [Wertz, John E.] Yale Univ, E Coli Genet Stock Ctr, New Haven, CT USA. [Yentsch, Sara] Natl Ctr Marine Algae & Microbiota, Boothbay Harbor, ME USA. [Fonseca, Natalia Risso] Univ Fed Vicosa, Dept Plant Pathol, Vicosa, MG, Brazil. RP McCluskey, K (reprint author), Kansas State Univ, Dept Plant Pathol, Throckmorton Hall, Manhattan, KS 66506 USA. EM mccluskeyk@ksu.edu RI Scott, James/A-8598-2011 OI Scott, James/0000-0002-5073-0832 FU U.S. National Science Foundation [DBI 1203112] FX We thank M. Smith of APS for her support of this meeting, and G. Holman of the USDA NCGRP for support of the microbial program and the meeting of the NRRL. The USCCN is supported by grant DBI 1203112 from the U.S. National Science Foundation. This is publication number 16-171-J of the Kansas Agricultural Experiment Station. NR 63 TC 1 Z9 1 U1 7 U2 11 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0031-949X EI 1943-7684 J9 PHYTOPATHOLOGY JI Phytopathology PD JUN PY 2016 VL 106 IS 6 BP 532 EP 540 DI 10.1094/PHYTO-02-16-0074-RVW PG 9 WC Plant Sciences SC Plant Sciences GA DN1FP UT WOS:000376812000001 PM 26976729 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 Reply to comment on 'Correlating metastable-atom density, reduced electric field, and electron energy distribution in the post-transient stage of a 1 Torr argon discharge' 2015 Plasma Sources Sci. Technol. 24 034009 SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Editorial Material DE microwave resonant cavity; electron density; TM0 1 0 mode; skin depth AB The attention to a detailed analysis by Sadeghi [1] of our paper [2], using Weatherford and Barnat [3] for reference information is appreciated and motivates us to clarify points in our paper referred to in the Comment [1]. In this Reply, we respond to the two remarks by Sadeghi [1] claiming to render as unjustified our original conclusion based on validity of the 420.1/419.8 nm emission intensity ratio method for the estimate of argon metastable density, and clear up other possible misinterpretations of the data presented in our paper [2]. C1 [Franek, J. B.; Nogami, S. H.; Demidov, V. I.; Koepke, M. E.] W Virginia Univ, Morgantown, WV 26505 USA. [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 NR 6 TC 0 Z9 0 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD JUN PY 2016 VL 25 IS 3 AR 038002 DI 10.1088/0963-0252/25/3/038002 PG 4 WC Physics, Fluids & Plasmas SC Physics GA DM7RJ UT WOS:000376557400037 ER PT J AU Gueroult, R Evans, ES Zweben, SJ Fisch, NJ Levinton, F AF Gueroult, R. Evans, E. S. Zweben, S. J. Fisch, N. J. Levinton, F. TI Initial experimental test of a helicon plasma based mass filter SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE differential confinement; electrode biasing; helicon source; plasma mass filtering; plasma rotation ID RADIAL POTENTIAL PROFILE; RF PRODUCED PLASMA; SPIRAL ANTENNA; SEPARATION; SHEAR AB High throughput plasma mass separation requires rotation control in a high density multi-species plasmas. A preliminary mass separation device based on a helicon plasma operating in gas mixtures and featuring concentric biasable ring electrodes is introduced. Plasma profile shows strong response to electrode biasing. In light of floating potential measurements, the density response is interpreted as the consequence of a reshaping of the radial electric field in the plasma. This field can be made confining or de-confining depending on the imposed potential at the electrodes, in a way which is consistent with single particle orbit radial stability. Concurrent spatially resolved spectroscopic measurements suggest ion separation, with heavy to light ion emission line ratio increasing with radius when a specific potential gradient is applied to the electrodes. C1 [Gueroult, R.; Evans, E. S.; Zweben, S. J.; Fisch, N. J.] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Levinton, F.] Nova Photon Inc, Princeton, NJ 08540 USA. RP Gueroult, R (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM renaud.gueroult@polytechnique.edu FU US DOE [DE-AC02-09CH11466] FX This work was supported by US DOE under contract DE-AC02-09CH11466. NR 47 TC 0 Z9 0 U1 9 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD JUN PY 2016 VL 25 IS 3 AR 035024 DI 10.1088/0963-0252/25/3/035024 PG 11 WC Physics, Fluids & Plasmas SC Physics GA DM7RJ UT WOS:000376557400032 ER PT J AU Nemchinsky, VA Raitses, Y AF Nemchinsky, V. A. Raitses, Y. TI Anode sheath transition in an anodic arc for synthesis of nanomaterials SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE arc; anode; ablation; sheath; nanoparticles ID HIGH-INTENSITY ARCS; BURNING ARGON ARCS; BOUNDARY-LAYER; CARBON-ARC; MATHEMATICAL-MODEL; PRESSURE; PLASMA AB The arc discharge with ablating anode or so-called anodic arc is widely used for synthesis of nanomaterials, including carbon nanotubes and fullerens, metal nanoparticles etc. We present the model of this arc, which confirms the existence of the two different modes of the arc operation with two different anode sheath regimes, namely, with negative anode sheath and with positive anode sheath. It was previously suggested that these regimes are associated with two different anode ablating modes-low ablation mode with constant ablation rate and the enhanced ablation mode (Fetterman et al 2008 Carbon 46 1322). The transition of the arc operation from low ablation mode to high ablation mode is determined by the current density at the anode. The model can be used to self-consistently determine the distribution of the electric field, electron density and electron temperature in the near-anode region of the arc discharge. Simulations of the carbon arc predict that for low arc ablating modes, the current is driven mainly by the electron diffusion to the anode. For positive anode sheath, the anode voltage is close to the ionization potential of anode material, while for negative anode sheath, the anode voltage is an order of magnitude smaller. It is also shown that the near-anode plasma, is far from the ionization equilibrium. C1 [Nemchinsky, V. A.] Keiser Univ, Ft Lauderdale, FL USA. [Raitses, Y.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Nemchinsky, VA (reprint author), Keiser Univ, Ft Lauderdale, FL USA.; Raitses, Y (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM vnemchinsky@keiseruniversity.edu; yraitses@pppl.gov FU U.S. Department of Energy [DE-AC02-09CH11466] FX The authors appreciate their fruitful discussions with V Vekselman and I Kaganovich of Princeton Plasma Physics Laboratory, and M Shneider of Princeton University. This work was supported by the U.S. Department of Energy under Contract No DE-AC02-09CH11466. NR 36 TC 1 Z9 1 U1 3 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD JUN PY 2016 VL 25 IS 3 AR 035003 DI 10.1088/0963-0252/25/3/035003 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DM7RJ UT WOS:000376557400011 ER PT J AU Rodriguez, MA Coker, EN Griego, JJM Mowry, CD Pimentel, AS Anderson, TM AF Rodriguez, Mark A. Coker, Eric N. Griego, James J. M. Mowry, Curtis D. Pimentel, Adam S. Anderson, Travis M. TI Monitoring of CoS2 reactions using high-temperature XRD coupled with gas chromatography (GC) SO POWDER DIFFRACTION LA English DT Article DE CoS2; HTXRD/GC; TGA/DSC/MS; cobalt sulfide; thermal batteries ID COBALT AB High-temperature X-ray diffraction with concurrent gas chromatography (GC) was used to study cobalt disulfide cathode pellets disassembled from thermal batteries. When CoS2 cathode materials were analyzed in an air environment, oxidation of the K(Br, Cl) salt phase in the cathode led to the formation of K2SO4 that subsequently reacted with the pyrite-type CoS2 phase leading to cathode decomposition between similar to 260 and 450 degrees C. Independent thermal analysis experiments, i.e. simultaneous thermogravimetric analysis/differential scanning calorimetry/mass spectrometry (MS), augmented the diffraction results and support the overall picture of CoS2 decomposition. Both gas analysis measurements (i.e. GC and MS) from the independent experiments confirmed the formation of SO2 off-gas species during breakdown of the CoS2. In contrast, characterization of the same cathode material under inert conditions showed the presence of CoS2 throughout the entire temperature range of analysis. (C) 2016 International Centre for Diffraction Data. C1 [Rodriguez, Mark A.; Coker, Eric N.; Griego, James J. M.; Mowry, Curtis D.; Pimentel, Adam S.; Anderson, Travis M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Rodriguez, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM marodri@sandia.gov FU Lockheed Martin Corporation [DE-AC04-94AL85000] FX The authors would like to thank Christine White for CoS2 cathode sample preparation and Marshall Reviere for his assistance with HTXRD/GC data collection experiments. Sandia is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 9 TC 0 Z9 0 U1 8 U2 22 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2016 VL 31 IS 2 BP 90 EP 96 DI 10.1017/S0885715616000166 PG 7 WC Materials Science, Characterization & Testing SC Materials Science GA DM6CW UT WOS:000376438700002 ER PT J AU Metz, P Koch, R Cladek, B Page, K Neuefeind, J Misture, S AF Metz, Peter Koch, Robert Cladek, Bernadette Page, Katharine Neuefeind, Joerg Misture, Scott TI X-ray and neutron total scattering analysis of H-y center dot(Bi0.2Ca0.55Sr0.25) (Ag0.25Na0.75)Nb3O10 center dot xH(2)O perovskite nanosheet booklets with stacking disorder SO POWDER DIFFRACTION LA English DT Article DE nanosheet; pair distribution function; soft chemistry; stacking disorder ID DIFFRACTION LINE-PROFILES; LAYERED PEROVSKITE; AURIVILLIUS PHASE; CRYSTALLITES; SYSTEMS; SIMULATIONS; HYDROXIDES; CONVERSION; NANOSCALE; CHEMISTRY AB Ion-exchanged Aurivillius materials form perovskite nanosheet booklets wherein well-defined bi-periodic sheets, with similar to 11.5 angstrom thickness, exhibit extensive stacking disorder. The perovskite layer contents were defined initially using combined synchrotron X-ray and neutron Rietveld refinement of the parent Aurivillius structure. The structure of the subsequently ion-exchanged material, which is disordered in its stacking sequence, is analyzed using both pair distribution function (PDF) analysis and recursive method simulations of the scattered intensity. Combined X-ray and neutron PDF refinement of supercell stacking models demonstrates sensitivity of the PDF to both perpendicular and transverse stacking vector components. Further, hierarchical ensembles of stacking models weighted by a standard normal distribution are demonstrated to improve PDF fit over 1-25 angstrom. Recursive method simulations of the X-ray scattering profile demonstrate agreement between the real space stacking analysis and more conventional reciprocal space methods. The local structure of the perovskite sheet is demonstrated to relax only slightly from the Aurivillius structure after ion exchange. (C) 2016 International Centre for Diffraction Data. C1 [Metz, Peter; Cladek, Bernadette; Misture, Scott] Alfred Univ, Inamori Sch Engn, Alfred, NY 14802 USA. [Koch, Robert] Univ Trento, Dept Civil Environm & Mech Engn, Via Mesiano 77, I-38123 Trento, TN, Italy. [Page, Katharine; Neuefeind, Joerg] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37830 USA. RP Metz, P (reprint author), Alfred Univ, Inamori Sch Engn, Alfred, NY 14802 USA. RI Neuefeind, Joerg/D-9990-2015; Page, Katharine/C-9726-2009; OI Neuefeind, Joerg/0000-0002-0563-1544; Page, Katharine/0000-0002-9071-3383; Metz, Peter/0000-0003-3022-5596 FU National Science Foundation [DMR-1409102]; U.S. Department of Energy (DOE) Office of Science Graduate Student Research Program [DE-AC05-06OR23100]; DOE Office of Science [DE-AC02-06CH11357]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This material is based upon work supported by the National Science Foundation under Grant No. DMR-1409102. PM was partially funded by the U.S. Department of Energy (DOE) Office of Science Graduate Student Research Program, administered by the Oak Ridge Institute for Science and Education for the DOE under contract number DE-AC05-06OR23100. 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 portion of this research conducted at Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 39 TC 1 Z9 1 U1 1 U2 5 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2016 VL 31 IS 2 BP 126 EP 134 DI 10.1017/S0885715616000129 PG 9 WC Materials Science, Characterization & Testing SC Materials Science GA DM6CW UT WOS:000376438700007 ER PT J AU Bush, MB Correa-Metrio, A McMichael, CH Sully, S Shadik, CR Valencia, BG Guilderson, T Steinitz-Kannan, M Overpeck, JT AF Bush, M. B. Correa-Metrio, A. McMichael, C. H. Sully, S. Shadik, C. R. Valencia, B. G. Guilderson, T. Steinitz-Kannan, M. Overpeck, J. T. TI A 6900-year history of landscape modification by humans in lowland Amazonia SO QUATERNARY SCIENCE REVIEWS LA English DT Review DE Agriculture; Fossil charcoal; Fossil pollen; Fossil diatoms; Human disturbance; Iriartea; Maize; Mauritia; Forest enrichment; Pre-Columbian ID PRE-COLUMBIAN AMAZONIA; BOLIVIAN AMAZON; CLIMATE-CHANGE; WESTERN AMAZONIA; SOUTH-AMERICA; LAND-USE; ENVIRONMENT INTERACTIONS; HOLOCENE PALEOHYDROLOGY; ARCHAEOLOGICAL EVIDENCE; MAIZE CULTIVATION AB A sedimentary record from the Peruvian Amazon provided evidence of climate and vegetation change for the last 6900 years. Piston cores collected from the center of Lake Sauce, a 20 m deep lake at 600 m elevation, were 19.7 m in length. The fossil pollen record showed a continuously forested catchment within the period of the record, although substantial changes in forest composition were apparent. Fossil charcoal, found throughout the record, was probably associated with humans setting fires. Two fires, at c. 6700 cal BP and 4270 cal BP, appear to have been stand-replacing events possibly associated with megadroughts. The fire event at 4270 cal BP followed a drought that caused lowered lake levels for several centuries. The successional trajectories of forest recovery following these large fires were prolonged by smaller fire events. Fossil pollen of Zea mays (cultivated maize) provided evidence of agricultural activity at the site since c. 6320 cal BP. About 5150 years ago, the lake deepened and started to deposit laminated sediments. Maize agriculture reached a peak of intensity between c. 3380 and 700 cal BP. Fossil diatom data provided a proxy for lake nutrient status and productivity, both of which peaked during the period of maize cultivation. A marked change in land use was evident after c. 700 cal BP when maize agriculture was apparently abandoned at this site. Iriartea, a hyperdominant of riparian settings in western Amazonia, increased in abundance within the last 1100 years, but declined markedly at c. 1070 cal BP and again between c. 80 and -10 cal BP. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Bush, M. B.; McMichael, C. H.; Sully, S.; Shadik, C. R.; Valencia, B. G.] Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. [Correa-Metrio, A.] Univ Nacl Autonoma Mexico, Inst Geol, Mexico City 04510, DF, Mexico. [McMichael, C. H.] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, Palaeoecol & Landscape Ecol, Amsterdam, Netherlands. [Sully, S.] Univ Florida, Gainesville, FL 32611 USA. [Guilderson, T.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Steinitz-Kannan, M.] No Kentucky Univ, Dept Biol, Highland Hts, KY 41076 USA. [Overpeck, J. T.] Univ Arizona, Dept Geosci, 1040 E 4th St, Tucson, AZ 85721 USA. RP Bush, MB (reprint author), Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. EM mbush@fit.edu FU National Science Foundation [NSF EAR-1303831, 1303830]; NASA Interdisciplinary Research in Earth Science [NNX14AD31G] FX We thank the people of the community of Sauce, Peru, for allowing us to investigate their lake. We would like to thank Dr. Jason Curtis of the University of Florida for conducting the nitrogen and carbon assays. This work was supported by grants from the National Science Foundation to Bush and Overpeck (NSF EAR-1303831, 1303830) and NASA Interdisciplinary Research in Earth Science NNX14AD31G to McMichael and Bush. NR 130 TC 3 Z9 3 U1 21 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-3791 J9 QUATERNARY SCI REV JI Quat. Sci. Rev. PD JUN 1 PY 2016 VL 141 BP 52 EP 64 DI 10.1016/j.quascirev.2016.03.022 PG 13 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA DM9QC UT WOS:000376699800005 ER PT J AU Copeland, SR Cawthra, HC Fisher, EC Lee-Thorp, JA Cowling, RM le Roux, PJ Hodgkins, J Marean, CW AF Copeland, Sandi R. Cawthra, Hayley C. Fisher, Erich C. Lee-Thorp, Julia A. Cowling, Richard M. le Roux, Petrus J. Hodgkins, Jamie Marean, Curtis W. TI Strontium isotope investigation of ungulate movement patterns on the Pleistocene Paleo-Agulhas Plain of the Greater Cape Floristic Region, South Africa SO QUATERNARY SCIENCE REVIEWS LA English DT Review DE Strontium isotopes; Middle Stone Age; South Africa; GIS model; Archaeology; Ungulate paleoecology; Migration; Fossils; Greater Cape Floristic Region; Intra-tooth ID POINT CAVE 13B; PINNACLE POINT; WESTERN CAPE; TOOTH ENAMEL; MODERN HUMANS; SR-87/SR-86 RATIOS; PLANT DIVERSITY; HIGH-RESOLUTION; BOVINE ENAMEL; EASTERN CAPE AB Middle Stone Age sites located within the Greater Cape Floristic Region on the South African southern coast have material culture with early evidence for key modern human behaviors such as projectile weaponry, large animal hunting, and symbolic behavior. In order to interpret how and why these changes evolved, it is necessary to understand their ecological context as it has direct relevance to foraging behavior. During periods of lowered sea level, a largely flat and vast expanse of land existed south of the modern coastline, but it is now submerged by higher sea levels. This exposed area, the Paleo-Agulhas Plain, likely created an ecological context unlike anything in the region today, as evidenced by fossil assemblages dominated by migratory ungulates. One hypothesis is that the Paleo-Agulhas Plain supported a migration ecosystem of large grazers driven by summer rainfall, producing palatable forage during summer in the east, and winter rainfall, producing palatable forage during winter in the west. Alternatively, ungulates may have been moving from the coastal plain in the south to the interior north of the Cape Fold Mountains, as observed for elephants in historic times. In this study, we assess ungulate movement patterns with inter- and intra-tooth enamel samples for strontium isotopes in fossil fauna from Pinnacle Point sites PP13B and PP30. To accomplish our goals we created a bioavailable Sr-87/Sr-86 isoscape for the region by collecting plants at 171 sampling sites and developing a geospatial model. The strontium isotope results indicate that ungulates spent most of their time on the Paleo-Agulhas Plain and avoided dissected plain, foothill, and mountain habitats located more than about 15 km north of the modern coastline. The results clearly exclude a north-south (coastal interior) movement or migration pattern, and cannot falsify the east-west movements hypothesized in the south coast migration ecosystem hypothesis. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Copeland, Sandi R.] Los Alamos Natl Lab, Environm Stewardship Grp, MS J978, Los Alamos, NM 87545 USA. [Copeland, Sandi R.] Univ Colorado, Dept Anthropol, Campus Box 233 UCB, Boulder, CO 80309 USA. [Cawthra, Hayley C.] Council Geosci, Geophys Competency, POB 572, ZA-7535 Bellville, South Africa. [Cawthra, Hayley C.; Fisher, Erich C.; Cowling, Richard M.; Marean, Curtis W.] Nelson Mandela Metropolitan Univ, Ctr Coastal Palaeosci, POB 77000, ZA-6031 Port Elizabeth, South Africa. [Fisher, Erich C.; Marean, Curtis W.] Arizona State Univ, Sch Human Evolut & Social Change, Inst Human Origins, Tempe, AZ 85287 USA. [Fisher, Erich C.] Univ Witwatersrand, Evolutionary Studies Inst, Private Bag 3, ZA-2050 Johannesburg, South Africa. [Lee-Thorp, Julia A.] Univ Oxford, Res Lab Archaeol, S Parks Rd, Oxford OX1 3QY, England. [le Roux, Petrus J.] Univ Cape Town, Dept Geol Sci, ZA-7700 Rondebosch, South Africa. [Hodgkins, Jamie] Univ Colorado, Dept Anthropol, POB 173364, Denver, CO 80217 USA. RP Copeland, SR (reprint author), Los Alamos Natl Lab, Environm Stewardship Grp, MS J978, Los Alamos, NM 87545 USA. EM sandicopeland@gmail.com OI Copeland, Sandi/0000-0001-9441-7111 FU National Science Foundation [BCS-9912465, BCS-0130713, BCS-0524087, BCS-1138073]; Hyde Family Foundations; John Templeton Foundation; Institute of Human Origins (IHO) at Arizona State University FX We would like to thank Jan Vlok for botanical expertise and help with sample collections, Kerryn Gray, Fayrooza Rawoort, and Hope Williams for help with laboratory analyses, John Lanham, Ian Newton, and Judith Sealy for support at the UCT Department of Archaeology stable isotope laboratory, and Paul Sandberg and Matt Sponheimer for helpful discussions. We would like to thank the anonymous reviewers, whose comments helped us to improve the manuscript. This research was funded by the National Science Foundation (# BCS-9912465, BCS-0130713, BCS-0524087, and BCS-1138073), the Hyde Family Foundations, the John Templeton Foundation, and the Institute of Human Origins (IHO) at Arizona State University. The opinions expressed in this publication are those of the author(s) and do not necessarily reflect the views of any of the granting agencies. NR 133 TC 1 Z9 1 U1 4 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-3791 J9 QUATERNARY SCI REV JI Quat. Sci. Rev. PD JUN 1 PY 2016 VL 141 BP 65 EP 84 DI 10.1016/j.quascirev.2016.04.002 PG 20 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA DM9QC UT WOS:000376699800006 ER PT J AU Trahanovsky, WS Klumpp, DA AF Trahanovsky, Walter S. Klumpp, Douglas A. TI The chemistry of thiophene-based bis-(p-quinodimethanes): an approach to macrocycles SO TETRAHEDRON LETTERS LA English DT Article DE para-Quinodimethane; Pyrolysis; Diradical; Macrocycle; Thiophene ID P-QUINODIMETHANE; HYPERPOLARIZABILITIES; OLIGOMERIZATION; POLYMERIZATION; XYLYLENES; PYROLYSIS; MECHANISM AB Bis-2,5-dimethylene-2,5-dihydrothiophenes have been generated in the gas-phase by flash vacuum pyrolysis (FVP) of diester precursors. These thiophene-based bis-(p-quinodimethanes) are shown to undergo reactions leading to macrocycles. The conversions are consistent with a mechanism involving cyclic diradical intermediates followed by disproportionation of the radical centers. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Trahanovsky, Walter S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Trahanovsky, Walter S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Klumpp, Douglas A.] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. RP Trahanovsky, WS (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.; Trahanovsky, WS (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.; Klumpp, DA (reprint author), No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. EM wstrahan@isu.edu; dklumpp@niu.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences [W-7405-ENG-82]; National Science Foundation [1300878] FX This work was supported in part by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, under Contract W-7405-ENG-82 and the National Science Foundation (1300878). We gratefully acknowledge this support. NR 39 TC 1 Z9 1 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0040-4039 J9 TETRAHEDRON LETT JI Tetrahedron Lett. PD JUN 1 PY 2016 VL 57 IS 22 BP 2386 EP 2389 DI 10.1016/j.tetlet.2016.04.062 PG 4 WC Chemistry, Organic SC Chemistry GA DM9ON UT WOS:000376695700011 ER PT J AU Llusia, J Roahtyn, S Yakir, D Rotenberg, E Seco, R Guenther, A Penuelas, J AF Llusia, Joan Roahtyn, Shani Yakir, Dan Rotenberg, Eyal Seco, Roger Guenther, Alex Penuelas, Josep TI Photosynthesis, stomatal conductance and terpene emission response to water availability in dry and mesic Mediterranean forests SO TREES-STRUCTURE AND FUNCTION LA English DT Article DE Mediterranean drought conditions; Terpene emission rates; Gas interchange; Pinus halepensis; Quercus calliprinos; Quercus ithaburensis ID VOLATILE ORGANIC-COMPOUNDS; QUERCUS-ILEX LEAVES; MONOTERPENE EMISSIONS; DROUGHT STRESS; SUMMER DROUGHT; PINUS-HALEPENSIS; ISOPRENOID EMISSIONS; COMPOUND EMISSIONS; FIELD CONDITIONS; HOLM OAK AB Warmer summer conditions result in increased terpene emissions except under severe drought, in which case they strongly decrease. Water stress results in a reduction of the metabolism of plants and in a reorganization of their use of resources geared to survival. In the Mediterranean region, periods of drought accompanied by high temperatures and high irradiance occur in summer. Plants have developed various mechanisms to survive in these conditions by resisting, tolerating or preventing stress. We used three typical Mediterranean tree species in Israel, Pinus halepensis L., Quercus calliprinos and Quercus ithaburensis Webb, as models for studying some of these adaptive mechanisms. We measured their photosynthetic rates (A), stomatal conductance (g (s)), and terpene emission rates during spring and summer in a geophysical gradient from extremely dry to mesic from Yatir (south, arid) to Birya (north, moist) with intermediate conditions in Solelim. A and g (s) of P. halepensis were threefold higher in Birya than in Yatir where they remained very low both seasons. Quercus species presented 2-3-fold higher A and g (s) but with much more variability between seasons, especially for Q. ithaburensis with A and g (s) that decreased 10-30-fold from spring to summer. Terpene emission rates for pine were not different regionally in spring but they were 5-8-fold higher in Birya than in Yatir in summer (P < 0.05). Higher emissions were also observed in Solelim for the drought resistant Q. ithaburensis (P < 0.001) but not for Q. calliprinos. alpha-Pinene followed by limonene and 3-carene were the dominant terpenes. Warmer summer conditions result in increased Terpene emission rates except under severe drought, in which case they strongly decrease. C1 [Llusia, Joan; Penuelas, Josep] CREAF, Barcelona 08193, Catalonia, Spain. [Llusia, Joan; Penuelas, Josep] UAB, CSIC, CREAF, Global Ecol Unit, Barcelona 08193, Catalonia, Spain. [Roahtyn, Shani; Yakir, Dan; Rotenberg, Eyal] Weizmann Inst Sci, Dept Earth & Planetary Sci, IL-76100 Rehovot, Israel. [Seco, Roger] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Guenther, Alex] Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA USA. [Guenther, Alex] Washington State Univ, Dept Civil & Environm Engn, Pullman, WA 99164 USA. RP Llusia, J (reprint author), CREAF, Barcelona 08193, Catalonia, Spain.; Llusia, J (reprint author), UAB, CSIC, CREAF, Global Ecol Unit, Barcelona 08193, Catalonia, Spain. EM j.llusia@creaf.uab.cat RI Seco, Roger/F-7124-2011; OI Seco, Roger/0000-0002-2078-9956; Penuelas, Josep/0000-0002-7215-0150 FU Spanish Government [CGL2013-48074-P]; Catalan Government [SGR 2014-274]; European Research Council Synergy grant [ERC-2013-SyG 610028 IMBALANCE-P]; Air Liquide Foundation AirLiCOVs grant; Fundacion Ramon Areces; Cathy Wills and Robert Lewis Program in Environmental Science; KKL-JNF; Sussman Center of the Weizmann Institute of Science FX This study was supported by the Spanish Government Grant CGL2013-48074-P, the Catalan Government grant SGR 2014-274, the European Research Council Synergy grant ERC-2013-SyG 610028 IMBALANCE-P, and the Air Liquide Foundation AirLiCOVs grant. Roger Seco was partially supported by a post-doctoral grant awarded by Fundacion Ramon Areces. This work was supported by the Cathy Wills and Robert Lewis Program in Environmental Science, the KKL-JNF, and the Sussman Center of the Weizmann Institute of Science. NR 76 TC 1 Z9 1 U1 12 U2 25 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0931-1890 EI 1432-2285 J9 TREES-STRUCT FUNCT JI Trees-Struct. Funct. PD JUN PY 2016 VL 30 IS 3 BP 749 EP 759 DI 10.1007/s00468-015-1317-x PG 11 WC Forestry SC Forestry GA DM3XX UT WOS:000376281100015 ER PT J AU Kyrpides, NC Eloe-Fadrosh, EA Ivanova, NN AF Kyrpides, Nikos C. Eloe-Fadrosh, Emiley A. Ivanova, Natalia N. TI Microbiome Data Science: Understanding Our Microbial Planet SO TRENDS IN MICROBIOLOGY LA English DT Editorial Material ID GENOMICS; SYSTEM AB Microbiology is experiencing a revolution brought on by recent developments in sequencing technology. The unprecedented volume of microbiome data being generated poses significant challenges that are currently hindering progress in the field. Here, we outline the major bottlenecks and propose a vision to advance microbiome research as a data-driven science. C1 [Kyrpides, Nikos C.; Eloe-Fadrosh, Emiley A.; Ivanova, Natalia N.] Joint Genome Inst, Dept Energy, Prokaryot Super Program, Walnut Creek, CA USA. RP Kyrpides, NC (reprint author), Joint Genome Inst, Dept Energy, Prokaryot Super Program, Walnut Creek, CA USA. EM nckyrpides@lbl.gov RI Kyrpides, Nikos/A-6305-2014; OI Kyrpides, Nikos/0000-0002-6131-0462; Ivanova, Natalia/0000-0002-5802-9485 NR 15 TC 4 Z9 5 U1 6 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-842X EI 1878-4380 J9 TRENDS MICROBIOL JI Trends Microbiol. PD JUN PY 2016 VL 24 IS 6 BP 425 EP 427 DI 10.1016/j.tim.2016.02.011 PG 3 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA DM9RK UT WOS:000376703200001 PM 27197692 ER PT J AU Chang, C Zhou, QL Kneafsey, TJ Oostrom, M Wietsma, TW Yu, QC AF Chang, Chun Zhou, Quanlin Kneafsey, Timothy J. Oostrom, Mart Wietsma, Thomas W. Yu, Qingchun TI Pore-scale supercritical CO2 dissolution and mass transfer under imbibition conditions SO ADVANCES IN WATER RESOURCES LA English DT Article DE Geological carbon storage; Micromodel; Imbibition; CO2 dissolution; Mass transfer; Relative permeability ID PHASE LIQUID DISSOLUTION; SATURATED POROUS-MEDIA; GEOLOGICAL SEQUESTRATION; HYDRAULIC CONDUCTIVITY; CO2-H2O MIXTURES; SALINE AQUIFERS; WATER; MICROMODEL; MODEL; BRINE AB In modeling of geological carbon storage, dissolution of supercritical CO2 (scCO(2)) is often assumed to be instantaneous with equilibrium phase partitioning. In contrast, recent core-scale imbibition experiments have shown a prolonged depletion of residual scCO(2) by dissolution, implying a non-equilibrium mechanism. In this study, eight pore-scale scCO(2) dissolution experiments in a 2D heterogeneous, sandstone-analog micromodel were conducted at supercritical conditions (9 MPa and 40 degrees C). The micromodel was first saturated with deionized (DI) water and drained by injecting scCO(2) to establish a stable scCO(2) saturation. DI water was then injected at constant flow rates after scCO(2) drainage was completed. High resolution time-lapse images of scCO(2) and water distributions were obtained during imbibition and dissolution, aided by a scCO(2) -soluble fluorescent dye introduced with scCO(2) during drainage. These images were used to estimate scCO(2) saturations and scCO(2) depletion rates. Experimental results show that (1) a time-independent, varying number of water-flow channels are created during imbibition and later dominant dissolution by the random nature of water flow at the micromodel inlet, and (2) a time-dependent number of water-flow channels are created by coupled imbibition and dissolution following completion of dominant imbibition. The number of water-flow paths, constant or transient in nature, greatly affects the overall depletion rate of scCO(2) by dissolution. The average mass fraction of dissolved CO2 (dsCO(2)) in water effluent varies from 0.38% to 2.72% of CO2 solubility, indicating non-equilibrium scCO(2) dissolution in the millimeter-scale pore network. In general, the transient depletion rate decreases as trapped, discontinuous scCO(2) bubbles and clusters within water-flow paths dissolve, then remains low with dissolution of large bypassed scCO(2) clusters at their interfaces with longitudinal water flow, and finally increases with coupled transverse water flow and enhanced dissolution of large scCO(2) clusters. The three stages of scCO(2) depletion, common to experiments with time-independent water-flow paths, are revealed by zoom-in image analysis of individual scCO(2) bubbles and clusters. The measured relative permeability of water, affected by scCO(2) dissolution and bi-modal permeability, shows a non-monotonic dependence on saturation. The results for experiments with different injection rates imply that the non-equilibrium nature of scCO(2) dissolution becomes less important when water flow is relatively low and the time scale for dissolution is large, and more pronounced when heterogeneity is strong. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Chang, Chun; Yu, Qingchun] China Univ Geosci, Sch Water Resources & Environm, Beijing 100083, Peoples R China. [Chang, Chun; Zhou, Quanlin; Kneafsey, Timothy J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA 94720 USA. [Oostrom, Mart] Pacific NW Natl Lab, Div Energy & Environm, 902 Battelle Blvd,POB 999,MSIN K8-96, Richland, WA 99352 USA. [Wietsma, Thomas W.] Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd,POB 999,MSIN K8-96, Richland, WA 99352 USA. RP Chang, C (reprint author), China Univ Geosci, Sch Water Resources & Environm, Beijing 100083, Peoples R China. EM chunchang@cugb.edu.cn RI Zhou, Quanlin/B-2455-2009 OI Zhou, Quanlin/0000-0001-6780-7536 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Centers program [DE-AC02-05CH11231] FX This material was based upon the work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Centers program under Contract no. DE-AC02-05CH11231. The micromodel experiments were conducted at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a scientific user facility of the U.S. Department of Energy's Office of Biological and Environmental Research operated by the Pacific Northwest National Laboratory (PNNL). Dr. Lin Zuo and Prof. Sally M. Benson (Stanford University) provided the original design of the heterogeneous micromodel. We appreciate Dr. Changyong Zhang's helpful discussions and suggestions. The authors wish to thank the three anonymous reviewers for their careful review of the manuscript and their suggestion of improvements. NR 47 TC 1 Z9 1 U1 11 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JUN PY 2016 VL 92 BP 142 EP 158 DI 10.1016/j.advwatres.2016.03.015 PG 17 WC Water Resources SC Water Resources GA DL9EW UT WOS:000375945600012 ER PT J AU Man, J Li, WX Zeng, LZ Wu, LS AF Man, Jun Li, Weixuan Zeng, Lingzao Wu, Laosheng TI Data assimilation for unsaturated flow models with restart adaptive probabilistic collocation based Kalman filter SO ADVANCES IN WATER RESOURCES LA English DT Article DE Data assimilation; Unsaturated flow; Kalman filter; Polynomial chaos ID SQUARE-ROOT FILTERS; HYDRAULIC CONDUCTIVITY; NONLINEAR PROBLEMS; ENSEMBLE AB The ensemble Kalman filter (EnKF) has gained popularity in hydrological data assimilation problems. As a Monte Carlo based method, a sufficiently large ensemble size is usually required to guarantee the accuracy. As an alternative approach, the probabilistic collocation based Kalman filter (PCKF) employs the polynomial chaos expansion (PCE) to represent and propagate the uncertainties in parameters and states. However, PCKF suffers from the so-called "curse of dimensionality". Its computational cost increases drastically with the increasing number of parameters and system nonlinearity. Furthermore, PCKF may fail to provide accurate estimations due to the joint updating scheme for strongly nonlinear models. Motivated by recent developments in uncertainty quantification and EnKF, we propose a restart adaptive probabilistic collocation based Kalman filter (RAPCKF) for data assimilation in unsaturated flow problems. During the implementation of RAPCKF, the important parameters are identified and active PCE basis functions are adaptively selected at each assimilation step; the "restart" scheme is utilized to eliminate the inconsistency between updated model parameters and states variables. The performance of RAPCKF is systematically tested with numerical cases of unsaturated flow models. It is shown that the adaptive approach and restart scheme can significantly improve the performance of PCKF. Moreover, RAPCKF has been demonstrated to be more efficient than EnKF with the same computational cost. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Man, Jun; Zeng, Lingzao] Zhejiang Univ, Inst Soil & Water Resources & Environm Sci, Coll Environm & Resource Sci, Zhejiang Prov Key Lab Agr Resources & Environm, Hangzhou 310058, Zhejiang, Peoples R China. [Li, Weixuan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wu, Laosheng] Univ Calif Riverside, Dept Environm Sci, Riverside, CA 92521 USA. RP Zeng, LZ (reprint author), Zhejiang Univ, Inst Soil & Water Resources & Environm Sci, Coll Environm & Resource Sci, Zhejiang Prov Key Lab Agr Resources & Environm, Hangzhou 310058, Zhejiang, Peoples R China. EM lingzao@zju.edu.cn RI Zeng, Lingzao/A-8977-2014; OI Li, Weixuan/0000-0001-6755-3783; Man, Jun/0000-0001-8374-0773 FU National Natural Science Foundation of China [41371237, 41271470]; Fundamental Research Funds for the Central Universities [2016QNA6008]; Laboratory-Directed Research and Development program at Pacific Northwest National Laboratory through the Control of Complex Systems Initiative; U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program FX This work was supported by the National Natural Science Foundation of China (Grants 41371237 and 41271470) and the Fundamental Research Funds for the Central Universities (Grant 2016QNA6008). Weixuan Li's work was supported by the Laboratory-Directed Research and Development program at Pacific Northwest National Laboratory through the Control of Complex Systems Initiative, and U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program as part of the Multifaceted Mathematics for Complex Energy Systems (M2ACS) project. NR 43 TC 2 Z9 2 U1 3 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JUN PY 2016 VL 92 BP 258 EP 270 DI 10.1016/j.advwatres.2016.03.016 PG 13 WC Water Resources SC Water Resources GA DL9EW UT WOS:000375945600021 ER PT J AU Hobdey, SE Knott, BC Momeni, MH Taylor, LE Borisova, AS Podkaminer, KK VanderWall, TA Himmel, ME Decker, SR Beckham, GT Stahlberg, J AF Hobdey, Sarah E. Knott, Brandon C. Momeni, Majid Haddad Taylor, Larry E., II Borisova, Anna S. Podkaminer, Kara K. VanderWall, Todd A. Himmel, Michael E. Decker, Stephen R. Beckham, Gregg T. Stahlberg, Jerry TI Biochemical and Structural Characterizations of Two Dictyostelium Cellobiohydrolases from the Amoebozoa Kingdom Reveal a High Level of Conservation between Distant Phylogenetic Trees of Life SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PHANEROCHAETE-CHRYSOSPORIUM CEL7D; MULTIPLE SEQUENCE ALIGNMENT; FAMILY 7 CELLOBIOHYDROLASE; HORIZONTAL GENE-TRANSFER; JOINT GENOME INSTITUTE; TRICHODERMA-REESEI; CRYSTAL-STRUCTURE; ANGSTROM RESOLUTION; ENDOGLUCANASE I; 3-DIMENSIONAL STRUCTURE AB Glycoside hydrolase family 7 (GH7) cellobiohydrolases (CBHs) are enzymes commonly employed in plant cell wall degradation across eukaryotic kingdoms of life, as they provide significant hydrolytic potential in cellulose turnover. To date, many fungal GH7 CBHs have been examined, yet many questions regarding structure-activity relationships in these important natural and commercial enzymes remain. Here, we present the crystal structures and a biochemical analysis of two GH7 CBHs from social amoeba: Dictyostelium discoideum Cel7A (DdiCel7A) and Dictyostelium purpureum Cel7A (DpuCel7A). DdiCel7A and DpuCel7A natively consist of a catalytic domain and do not exhibit a carbohydrate-binding module (CBM). The structures of DdiCel7A and DpuCel7A, resolved to 2.1 angstrom and 2.7 angstrom respectively, are homologous to those of other GH7 CBHs with an enclosed active-site tunnel. Two primary differences between the Dictyostelium CBHs and the archetypal model GH7 CBH, Trichoderma reesei Cel7A (TreCel7A), occur near the hydrolytic active site and the product-binding sites. To compare the activities of these enzymes with the activity of TreCel7A, the family 1 TreCel7A CBM and linker were added to the C terminus of each of the Dictyostelium enzymes, creating DdiCel7A(CBM) and DpuCel7A(CBM), which were recombinantly expressed in T. reesei. DdiCel7A(CBM) and DpuCel7A(CBM) hydrolyzed Avicel, pretreated corn stover, and phosphoric acid-swollen cellulose as efficiently as TreCel7A when hydrolysis was compared at their temperature optima. The K-i of cellobiose was significantly higher for DdiCel7A(CBM) and DpuCel7A(CBM) than for TreCel7A: 205, 130, and 29 mu M, respectively. Taken together, the present study highlights the remarkable degree of conservation of the activity of these key natural and industrial enzymes across quite distant phylogenetic trees of life. IMPORTANCE GH7 CBHs are among the most important cellulolytic enzymes both in nature and for emerging industrial applications for cellulose breakdown. Understanding the diversity of these key industrial enzymes is critical to engineering them for higher levels of activity and greater stability. The present work demonstrates that two GH7 CBHs from social amoeba are surprisingly quite similar in structure and activity to the canonical GH7 CBH from the model biomass-degrading fungus T. reesei when tested under equivalent conditions (with added CBM-linker domains) on an industrially relevant substrate. C1 [Hobdey, Sarah E.; Taylor, Larry E., II; Podkaminer, Kara K.; VanderWall, Todd A.; Himmel, Michael E.; Decker, Stephen R.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. [Knott, Brandon C.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. [Momeni, Majid Haddad; Borisova, Anna S.; Stahlberg, Jerry] Swedish Univ Agr Sci, Dept Chem & Biotechnol, Uppsala, Sweden. [Hobdey, Sarah E.] Idaho Vet Res & Educ Fdn, VA Med Ctr, Boise, ID USA. [Momeni, Majid Haddad] Tech Univ Denmark, Dept Syst Biol, Enzyme & Prot Chem, DK-2800 Lyngby, Denmark. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA.; Stahlberg, J (reprint author), Swedish Univ Agr Sci, Dept Chem & Biotechnol, Uppsala, Sweden. EM gregg.beckham@nrel.gov; jerry.stahlberg@slu.se RI Stahlberg, Jerry/D-4163-2013 OI Stahlberg, Jerry/0000-0003-4059-8580 FU U.S. Department of Energy BioEnergy Technologies Office; Swedish Research Council Formas; Faculty for Natural Resources and Agriculture at the Swedish University of Agricultural Sciences through research program MicroDrivE; National Renewable Energy Laboratory's Director's Fellowship Program FX S.E.H., B.C.K., L.E.T., K.K.P., T.A.V., M.E.H., S.R.D., and G.T.B. acknowledge the U.S. Department of Energy BioEnergy Technologies Office for funding. M.H.M., A.S.B., and J.S. acknowledge the Swedish Research Council Formas and the Faculty for Natural Resources and Agriculture at the Swedish University of Agricultural Sciences through the research program MicroDrivE. B.C.K. also thanks the National Renewable Energy Laboratory's Director's Fellowship Program for funding. NR 75 TC 1 Z9 1 U1 11 U2 16 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JUN PY 2016 VL 82 IS 11 BP 3395 EP 3409 DI 10.1128/AEM.00163-16 PG 15 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DM2EL UT WOS:000376159400023 PM 27037126 ER PT J AU Ziebell, A Gjersing, E Hinchee, M Katahira, R Sykes, RW Johnson, DK Davis, MF AF Ziebell, Angela Gjersing, Erica Hinchee, Maud Katahira, Rui Sykes, Robert W. Johnson, David K. Davis, Mark F. TI Downregulation of p-Coumaroyl Quinate/Shikimate 3'-Hydroxylase (C3'H) or Cinnamate-4-hydrolylase (C4H) in Eucalyptus urophylla x Eucalyptus grandis Leads to Increased Extractability SO BIOENERGY RESEARCH LA English DT Article DE Nuclear magnetic resonance (NMR); Plant; Cell wall; Transgenic; Spectroscopy; Eucalyptus; C3'H; C4H; Lignin ID MEDICAGO-SATIVA L.; STATE 2D NMR; SECONDARY METABOLISM; LIGNIN BIOSYNTHESIS; BIOFUEL PRODUCTION; ACID BRIDGES; CELL; LIGNIFICATION; CELLULOSE; WHEAT AB Lignin reduction through breeding and genetic modification has the potential to reduce costs in biomass processing in pulp and paper, forage, and lignocellulosic ethanol industries. Here, we present detailed characterization of the extractability and lignin structure of Eucalyptus urophylla x Eucalyptus grandis RNAi downregulated in p-coumaroyl quinate/shikimate 3'-hydroxylase (C3'H) or cinnamate-4-hydroxylase (C4H). Both the C3'H and C4H downregulated lines were found to have significantly higher extractability when exposed to NaOH base extraction, indicating altered cell wall construction. The molecular weight of isolated lignin was measured and lignin structure was determined by HSQC NMR-based lignin subunit analysis for control and the C3'H and C4H downregulated lines. The slight reductions in average molecular weights of the lignin isolated from the transgenic lines (C3'H = 7000, C4H = 6500, control = 7300) does not appear to explain the difference in extractability. The HSQC NMR-based lignin subunit analysis showed increases in H lignin content for the C3'H but only slight differences in the lignin subunit structure of the C3'H and C4H downregulated lines when compared to the control. The greatest difference between the C3'H and C4H downregulated lines is the total lignin content; therefore, it appears that overall lowered lignin content contributes greatly to reduced recalcitrance and increased extractability of cell wall biopolymers. Further studies will be conducted to determine how the reduction in lignin content creates a less rigid cell wall that is more prone to extraction and sugar release. C1 [Ziebell, Angela; Gjersing, Erica; Katahira, Rui; Sykes, Robert W.; Davis, Mark F.] Natl Bioenergy Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Johnson, David K.] BioSci Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Hinchee, Maud] ArborGen Inc, 2011 Broadbank Ct, Ridgeville, SC 29472 USA. RP Gjersing, E (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM erica.gjersing@nrel.gov FU Office of Biological and Environmental Research in the DOE Office of Science; U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX The authors would like to thank William Rottmann, ArborGen Inc., for manuscript review and for providing the biomass materials studied in this paper. The BESC is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 40 TC 0 Z9 0 U1 5 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2016 VL 9 IS 2 BP 691 EP 699 DI 10.1007/s12155-016-9713-7 PG 9 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA DM3YM UT WOS:000376282600026 ER PT J AU Plaza, NZ Pingali, SV Qian, S Heller, WT Jakes, JE AF Plaza, Nayomi Z. Pingali, Sai Venkatesh Qian, Shuo Heller, William T. Jakes, Joseph E. TI Informing the improvement of forest products durability using small angle neutron scattering SO CELLULOSE LA English DT Article DE Small angle neutron scattering; Cellulose elementary fibrils; Moisture content; Wood ID X-RAY-SCATTERING; FIBER SATURATION POINT; CELLULOSE MICROFIBRILS; CELL-WALLS; SPRUCE WOOD; CARBON; WATER; HEMICELLULOSE; MICRODIFFRACTION; PRETREATMENT AB A better understanding of how wood nanostructure swells with moisture is needed to accelerate the development of forest products with enhanced moisture durability. Despite its suitability to study nanostructures, small angle neutron scattering (SANS) remains an underutilized tool in forest products research. Nanoscale moisture-induced structural changes in intact and partially cut wood cell walls were investigated using SANS and a custom-built relative humidity (RH) chamber. SANS from intact wood sections cut from each primary wood orientation showed that although wood scattered anisotropically across 1.3-600 nm length scales, measurement of elementary fibril spacing and low-q surface scattering were independent of orientation. Water sorption caused spacing between elementary fibrils to increase with RH, and this swelling accounted for over half the transverse swelling in S2 secondary wood cell walls. Elementary fibril spacing in longitudinally cut wood cells, which were designed to mimic cells near wood-adhesive bondlines, was greater than the spacing in intact cells above 90 % RH. This suggested that some cell wall hoop constraint from the S1 and S3 cell wall layers on the S2 layer was released by cutting the cells. Furthermore, increased spacing between elementary fibrils may also create diffusion channels that are hypothesized to be responsible for the onset of fungal decay in wood. Protocols were established to use SANS in future research to study adhesives and protection treatments to improve moisture durability in forest products. C1 [Plaza, Nayomi Z.] Univ Wisconsin, Mat Sci Program, 1509 Univ Ave, Madison, WI 53706 USA. [Plaza, Nayomi Z.; Jakes, Joseph E.] US Forest Serv, Forest Biopolymer Sci & Engn, Forest Prod Lab, 1 Gifford Pinchot Dr, Madison, WI 53726 USA. [Pingali, Sai Venkatesh; Qian, Shuo; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Jakes, JE (reprint author), US Forest Serv, Forest Biopolymer Sci & Engn, Forest Prod Lab, 1 Gifford Pinchot Dr, Madison, WI 53726 USA. EM jjakes@fs.fed.us OI Plaza Rodriguez, Nayomi/0000-0002-5198-4877; Heller, William/0000-0001-6456-2975 FU GERS program at UW-Madison; NSF GFRP; US Forest Service Pathways program; USDA PECASE awards; FHA Cooperative Research Program for Covered Timber Bridges; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy [FWP ERKP752]; Office of Biological and Environmental Research [FWP ERKP291]; Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725] FX NP acknowledges the GERS program at UW-Madison, 2012 NSF GFRP and US Forest Service Pathways program for support. JEJ acknowledge funding from 2011 USDA PECASE awards. JEJ and NP acknowledge support from the FHA Cooperative Research Program for Covered Timber Bridges. The use of ORNL High Flux Isotope Reactor and Spallation Neutron Source was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. SVP acknowledges the Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy (FWP ERKP752). The Center for Structural Molecular Biology operates the Bio-SANS instrument by support from the Office of Biological and Environmental Research (FWP ERKP291), and its facilities are supported by the Office of Basic Energy Sciences, US Department of Energy and managed by UT-Battelle, LLC under contract no. DE-AC05-00OR22725. NR 56 TC 0 Z9 0 U1 3 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD JUN PY 2016 VL 23 IS 3 BP 1593 EP 1607 DI 10.1007/s10570-016-0933-y PG 15 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA DM1EA UT WOS:000376086900008 ER PT J AU Pimont, F Parsons, R Rigolot, E de Coligny, F Dupuy, JL Dreyfus, P Linn, RR AF Pimont, Francois Parsons, Russell Rigolot, Eric de Coligny, Francois Dupuy, Jean-Luc Dreyfus, Philippe Linn, Rodman R. TI Modeling fuels and fire effects in 3D: Model description and applications SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE FuelManager; CAPSIS; Fuel treatment; Fire effects; FIRETEC; WFDS ID PINUS-HALEPENSIS MILL.; CROWN FIRE; SURFACE FIRES; BEETLE OUTBREAKS; EXPERIMENT ICFME; TISSUE NECROSIS; BULK-DENSITY; WIND-FLOWS; FOREST; CANOPY AB Scientists and managers critically need ways to assess how fuel treatments alter fire behavior, yet few tools currently exist for this purpose. We present a spatially-explicit-fuel-modeling system, FuelManager, which models fuels, vegetation growth, fire behavior (using a physics-based model, FIRETEC), and fire effects. FuelManager's flexible approach facilitates modeling fuels across a wide range of detail. Large trees or shrubs with specific coordinates are modeled as individual "Plants", while understory plants are modeled as collections of plants called "LayerSets". Both Plants and LayerSets contain various fuel particles (leaves, needles, twigs) with various properties including shape, size and surface area to volume ratio. A wide range of vegetation and treatments can be modeled, analyzed quantitatively and visualized in a 3D viewer. We describe the modeling approach and demonstrate fuel modeling at different levels of detail, fuel treatment and fire effects capabilities. Detailed model equations are provided in the Appendices. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Pimont, Francois; Rigolot, Eric; Dupuy, Jean-Luc] INRA, URFM, Site Agroparc,CS 40 509, F-84914 Avignon 9, France. [Parsons, Russell] US Forest Serv, USDA, Fire Sci Lab, Missoula, MT 59808 USA. [de Coligny, Francois] INRA, AMAP, F-34398 Montpellier, France. [Linn, Rodman R.] Los Alamos Natl Lab, EES, POB 1663, Los Alamos, NM 87544 USA. [Dreyfus, Philippe] ONF, RDI, F-84000 Avignon, France. RP Pimont, F (reprint author), INRA, URFM, Site Agroparc,CS 40 509, F-84914 Avignon 9, France. EM francois.pimont@avignon.inra.fr FU European Commission, FIREPARADOX research program [FP6-018505]; Joint Fire Science Program of the US Department of Agriculture (USDA); US Department of the Interior (USDI) STANDFIRE Project, JFSP [12-1-03-30] FX This work was made possible by funding of the European Commission as part of the FIREPARADOX research program (contract FP6-018505) as well as partial support from the Joint Fire Science Program of the US Department of Agriculture (USDA) and US Department of the Interior (USDI) STANDFIRE Project, JFSP 12-1-03-30. NR 85 TC 3 Z9 3 U1 5 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1364-8152 EI 1873-6726 J9 ENVIRON MODELL SOFTW JI Environ. Modell. Softw. PD JUN PY 2016 VL 80 BP 225 EP 244 DI 10.1016/j.envsoft.2016.03.003 PG 20 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA DM3AD UT WOS:000376218300018 ER PT J AU Rengers, F Lunacek, M Tucker, G AF Rengers, Francis Lunacek, Monte Tucker, Gregory TI Application of an evolutionary algorithm for parameter optimization in a gully erosion model SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Optimization; Erosion; Hydrology; Landscape modeling ID ADAPTATION; MIGRATION AB Herein we demonstrate how to use model optimization to determine a set of best-fit parameters for a landform model simulating gully incision and headcut retreat. To achieve this result we employed the Covariance Matrix Adaptation Evolution Strategy (CMA-ES), an iterative process in which samples are created based on a distribution of parameter values that evolve over time to better fit an objective function. CMA-ES efficiently finds optimal parameters, even with high-dimensional objective functions that are non-convex, multimodal, and non-separable. We ran model instances in parallel on a high-performance cluster, and from hundreds of model runs we obtained the best parameter choices. This method is far superior to brute-force search algorithms, and has great potential for many applications in earth science modeling. We found that parameters representing boundary conditions tended to converge toward an optimal single value, whereas parameters controlling geomorphic processes are defined by a range of optimal values. Published by Elsevier Ltd. C1 [Rengers, Francis; Tucker, Gregory] Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. [Lunacek, Monte] Natl Renewable Energy Lab, Golden, CO USA. [Rengers, Francis] US Geol Survey, 1711 Illinois St, Golden, CO 80401 USA. RP Rengers, F (reprint author), Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA.; Rengers, F (reprint author), US Geol Survey, 1711 Illinois St, Golden, CO 80401 USA. EM frengers@usgs.gov RI Rengers, Francis/E-8873-2017 OI Rengers, Francis/0000-0002-1825-0943 FU National Science Foundation [EAR-0952247] FX We gratefully acknowledge the support for this study by the National Science Foundation grant EAR-0952247 (GT) and the use of the Janus high-performance cluster at the University of Colorado. We are also appreciative of thoughtful review comments provided by two anonymous reviewers. NR 32 TC 0 Z9 0 U1 7 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1364-8152 EI 1873-6726 J9 ENVIRON MODELL SOFTW JI Environ. Modell. Softw. PD JUN PY 2016 VL 80 BP 297 EP 305 DI 10.1016/j.envsoft.2016.02.033 PG 9 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA DM3AD UT WOS:000376218300023 ER PT J AU Borghesi, G Mastorakos, E AF Borghesi, G. Mastorakos, E. TI Autoignition of n-decane Droplets in the Low-, Intermediate-, and High-temperature Regimes from a Mixture Fraction Viewpoint SO FLOW TURBULENCE AND COMBUSTION LA English DT Article; Proceedings Paper CT 9th Mediterranean Combustion Symposium CY JUN 07-11, 2015 CL Rhodes, GREECE SP Combust Inst, Int Ctr Heat & Mass Transfer DE Droplet autoignition; Detailed chemistry; n-decane ID NUMERICAL SIMULATIONS; MICROGRAVITY EXPERIMENTS; HEPTANE DROPLETS; COMBUSTION; IGNITION; METHANOL; FLAMES; CHEMISTRY; DIFFUSION; TRANSPORT AB Detailed numerical simulations of isolated n-decane droplets autoignition are presented for different values of the ambient pressure and temperature. The ignition modes considered included single-stage ignition, two-stage ignition and cool-flame ignition. The analysis was conducted from a mixture fraction perspective. Two characteristic chemical time scales were identified for two-stage ignition: one for cool-flame ignition, and another for hot-flame ignition. The appearance and subsequent spatial propagation of a cool flame at lean compositions was found to play an important role in the ignition process, since it created the conditions for activating the high-temperature reactions pathway in regions with locally rich composition. Single-stage ignition was characterized by a single chemical time scale, corresponding to hot-flame ignition. Low-temperature reactions were negligible for this case, and spatial diffusion of heat and chemical species mainly affected the duration of the ignition transient, but not the location in mixture fraction space at which ignition first occurs. Finally, ignition of several cool flames of decreasing strength was observed in the cool-flame ignition case, which eventually lead to a plateau in the maximum gas-phase temperature. The first cool flame ignited in a region where the fuel / air mixture was locally lean, whereas ignition of the remaining cool flames occurred at rich mixture compositions. C1 [Borghesi, G.] CALTECH, Dept Civil & Mech Engn, Pasadena, CA 91125 USA. [Mastorakos, E.] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England. [Borghesi, G.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Borghesi, G (reprint author), CALTECH, Dept Civil & Mech Engn, Pasadena, CA 91125 USA.; Borghesi, G (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM gborghe@sandia.gov OI Mastorakos, Epaminondas/0000-0001-8245-5188 NR 26 TC 0 Z9 0 U1 2 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1386-6184 EI 1573-1987 J9 FLOW TURBUL COMBUST JI Flow Turbul. Combust. PD JUN PY 2016 VL 96 IS 4 SI SI BP 1107 EP 1121 DI 10.1007/s10494-016-9710-0 PG 15 WC Thermodynamics; Mechanics SC Thermodynamics; Mechanics GA DM1EO UT WOS:000376088400013 ER PT J AU DiMarco, J Ambrosio, G Anerella, M Bajas, H Chlachidze, G Borgnolutti, F Bossert, R Cheng, D Dietderich, D Felice, H Holik, T Pan, H Ferracin, P Ghosh, A Godeke, A Hafalia, AR Marchevsky, M Orris, D Ravaioli, E Sabbi, G Salmi, T Schmalzle, J Stoynev, S Strauss, T Sylvester, C Tartaglia, M Todesco, E Wanderer, P Wang, X Yu, M AF DiMarco, J. Ambrosio, G. Anerella, M. Bajas, H. Chlachidze, G. Borgnolutti, F. Bossert, R. Cheng, D. Dietderich, D. Felice, H. Holik, T. Pan, H. Ferracin, P. Ghosh, A. Godeke, A. Hafalia, A. R. Marchevsky, M. Orris, D. Ravaioli, E. Sabbi, G. Salmi, T. Schmalzle, J. Stoynev, S. Strauss, T. Sylvester, C. Tartaglia, M. Todesco, E. Wanderer, P. Wang, X. Yu, M. TI Test Results of the LARP Nb3Sn Quadrupole HQ03a SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High field accelerator magnets; Nb3Sn ID SHIMS AB The U.S. LHC Accelerator Research Program (LARP) has been developing Nb3Sn quadrupoles of increasing performance for the high-luminosity upgrade of the large hadron collider. The 120-mm aperture high-field quadrupole (HQ) models are the last step in the R&D phase supporting the development of the new IR Quadrupoles (MQXF). Three series of HQ coils were fabricated and assembled in a shell-based support structure, progressively optimizing the design and fabrication process. The final set of coils consistently applied the optimized design solutions and was assembled in the HQ03a model. This paper reports a summary of the HQ03a test results, including training, mechanical performance, field quality, and quench studies. C1 [DiMarco, J.; Ambrosio, G.; Chlachidze, G.; Bossert, R.; Holik, T.; Orris, D.; Stoynev, S.; Strauss, T.; Sylvester, C.; Tartaglia, M.; Yu, M.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Bajas, H.; Ferracin, P.; Ravaioli, E.; Todesco, E.] European Org Nucl Res CERN, CH-1211 Geneva, Switzerland. [Borgnolutti, F.; Cheng, D.; Dietderich, D.; Felice, H.; Pan, H.; Godeke, A.; Hafalia, A. R.; Marchevsky, M.; Sabbi, G.; Salmi, T.; Wang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP DiMarco, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM DiMarco@fnal.gov FU U.S. DOE Office of High Energy Physics [DE-AC02-05CH11231] FX This work was supported in part by the U.S. DOE Office of High Energy Physics under Contract DE-AC02-05CH11231. NR 25 TC 1 Z9 1 U1 3 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4005105 DI 10.1109/TASC.2016.2528283 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DM1JI UT WOS:000376101100001 ER PT J AU Krave, S Velev, G Makarov, A Nobrega, F Kiemschies, O Robotham, B Elementi, L Elouadhiri, L Luongo, C Kashy, D Wiseman, M AF Krave, S. Velev, G. Makarov, A. Nobrega, F. Kiemschies, O. Robotham, B. Elementi, L. Elouadhiri, L. Luongo, C. Kashy, D. Wiseman, M. TI Overview of Torus Magnet Coil Production at Fermilab for the Jefferson Lab 12-GeV Hall B Upgrade SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE CLAS12 Torus; conduction cooling; detector magnets; superconducting magnets AB Fermi National Accelerator Laboratory (Fermilab) fabricated the torus magnet coils for the 12-GeV Hall B upgrade at Jefferson Lab (JLab). The production consisted of six large superconducting coils for the magnet and two spare coils. The toroidal field coils are approximately 2 m x 4 m x 5 cm thick. Each of these coils consists of two layers, each of which has 117 turns of copper-stabilized superconducting cable, which will be conduction cooled by supercritical helium. Due to the size of the coils and their unique geometry, Fermilab designed and fabricated specialized tooling and, together with JLab, developed unique manufacturing techniques for each stage of the coil construction. This paper describes the tooling and manufacturing techniques required to produce the six production coils and the two spare coils needed by the project. C1 [Krave, S.; Velev, G.; Makarov, A.; Nobrega, F.; Kiemschies, O.; Robotham, B.; Elementi, L.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Elouadhiri, L.; Luongo, C.; Kashy, D.; Wiseman, M.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Krave, S (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM skrave@fnal.gov FU United States Department of Energy [De-AC02-07CH11359] FX Operated by Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359 with the United States Department of Energy. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4102705 DI 10.1109/TASC.2016.2533264 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DM1TO UT WOS:000376129500001 ER PT J AU Zhao, DF Liu, N Kimpe, D Ross, R Sun, XH Raicu, I AF Zhao, Dongfang Liu, Ning Kimpe, Dries Ross, Robert Sun, Xian-He Raicu, Ioan TI Towards Exploring Data-Intensive Scientific Applications at Extreme Scales through Systems and Simulations SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE Data storage systems; file systems; high performance computing; supercomputers AB The state-of-the-art storage architecture of high-performance computing systems was designed decades ago, and with today's scale and level of concurrency, it is showing significant limitations. Our recent work proposed a new architecture to address the I/O bottleneck of the conventional wisdom, and the system prototype (FusionFS) demonstrated its effectiveness on up to 16 K nodes-the scale on par with today's largest supercomputers. The main objective of this paper is to investigate FusionFS's scalability towards exascale. Exascale computers are predicted to emerge by 2018, comprising millions of cores and billions of threads. We built an event-driven simulator (FusionSim) according to the FusionFS architecture, and validated it with FusionFS's traces. FusionSim introduced less than 4 percent error between its simulation results and FusionFS traces. With FusionSim we simulated workloads on up to two million nodes and find out almost linear scalability of I/O performance; results justified FusionFS's viability for exascale systems. In addition to the simulation work, this paper extends the FusionFS system prototype in the following perspectives: (1) the fault tolerance of file metadata is supported, (2) the limitations of the current system design is discussed, and (3) a more thorough performance evaluation is conducted, such as N-to-1 metadata write, system efficiency, and more platforms such as Amazon Cloud. C1 [Zhao, Dongfang; Liu, Ning; Sun, Xian-He; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA. [Kimpe, Dries; Ross, Robert; Sun, Xian-He; Raicu, Ioan] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Zhao, DF; Liu, N; Sun, XH; Raicu, I (reprint author), IIT, Dept Comp Sci, Chicago, IL 60616 USA.; Kimpe, D; Ross, R; Sun, XH; Raicu, I (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dzhao8@iit.edu; nliu8@iit.edu; dkimpe@mcs.anl.gov; rross@mcs.anl.gov; sun@cs.iit.edu; iraicu@cs.iit.edu FU US National Science Foundation (NSF) [OCI-1054974]; Department of Energy (DOE) Office of Advanced Scientific Computer Research (ASCR) [DE-AC02-06CH11357] FX This work was supported in part by the US National Science Foundation (NSF) under awards OCI-1054974 (CAREER). This work was also supported by the Department of Energy (DOE) Office of Advanced Scientific Computer Research (ASCR) under contract DE-AC02-06CH11357. NR 60 TC 1 Z9 1 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 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD JUN PY 2016 VL 27 IS 6 BP 1824 EP 1837 DI 10.1109/TPDS.2015.2456896 PG 14 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA DM1LI UT WOS:000376106400021 ER PT J AU Mittal, S Vetter, JS AF Mittal, Sparsh Vetter, Jeffrey S. TI A Survey Of Techniques for Architecting DRAM Caches SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE Review; classification; last level cache; die-stacking; 3D; stacked DRAM; bandwidth wall; extreme-scale system; architectural techniques ID MEMORY; STACKING; MICROARCHITECTURE; CAPACITY; DESIGN AB Recent trends of increasing core-count and memory/bandwidth-wall have led to major overhauls in chip architecture. In face of increasing cache capacity demands, researchers have now explored DRAM, which was conventionally considered synonymous to main memory, for designing large last level caches. Efficient integration of DRAM caches in mainstream computing systems, however, also presents several challenges and several recent techniques have been proposed to address them. In this paper, we present a survey of techniques for architecting DRAM caches. Also, by classifying these techniques across several dimensions, we underscore their similarities and differences. We believe that this paper will be very helpful to researchers for gaining insights into the potential, tradeoffs and challenges of DRAM caches. C1 [Mittal, Sparsh; Vetter, Jeffrey S.] Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN 37830 USA. [Vetter, Jeffrey S.] Georgia Inst Technol, Atlanta, GA 30332 USA. RP Mittal, S; Vetter, JS (reprint author), Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN 37830 USA.; Vetter, JS (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. EM mittals@ornl.gov; vetter@ornl.gov OI Mittal, Sparsh/0000-0002-2908-993X FU US Department of Energy, Office of Science, Advanced Scientific Computing Research FX Support for this work was provided by US Department of Energy, Office of Science, Advanced Scientific Computing Research. NR 65 TC 1 Z9 1 U1 1 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD JUN PY 2016 VL 27 IS 6 BP 1852 EP 1863 DI 10.1109/TPDS.2015.2461155 PG 12 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA DM1LI UT WOS:000376106400023 ER PT J AU Vachhani, SJ Doherty, RD Kalidindi, SR AF Vachhani, Shraddha J. Doherty, Roger D. Kalidindi, Surya R. TI Studies of grain boundary regions in deformed polycrystalline aluminum using spherical nanoindentation SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Grain boundaries; Microstructures; Strengthening mechanisms; Polycrystalline material; Spherical nanoindentation ID CONTINUOUS STIFFNESS MEASUREMENT; STRESS-STRAIN CURVES; CRYSTAL PLASTICITY MODELS; EFFECTIVE ZERO-POINT; MECHANICAL-PROPERTIES; INSTRUMENTED INDENTATION; ELASTIC PROPERTIES; TEXTURE EVOLUTION; FCC METALS; DEFORMATION AB In this work, we use novel protocols based on spherical nanoindentation and orientation imaging microscopy (OIM) to quantify the local changes in slip resistances in the grain boundary regions of deformed, polycrystalline aluminum. The new protocols involve the use of the recently developed methods for extracting indentation stress strain (ISS) curves from raw nanoindentation data in conjunction with the measurement of local microstructure at the indentation site using OIM to study the changes in the local slip resistances as a function of distance from the grain boundaries. Eight grain boundaries were selected for this work such that they included a broad range of boundaries, including low and high (grain-to-grain misorientation) angle boundaries as well as low, moderate, and high deviations in the Taylor factors of the grains on either side of the boundary. It was concluded that there was additional hardening in the grain boundary region when a Taylor 'soft' grain was present next to a Taylor 'hard' grain. This hardening was consistently observed on the soft grain side with one exception where hardening was observed on both sides of the boundary. A positive correlation was observed between the difference in Taylor factor across the boundary and the amount of hardening on the 'soft' grain side. However, no correlation was observed between the grain-to-grain misorientation angle and the extent of hardening at the grain boundary. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Vachhani, Shraddha J.] Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA. [Doherty, Roger D.] Drexel Univ, Mat Sci & Engn, Philadelphia, PA 19104 USA. [Kalidindi, Surya R.] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Kalidindi, SR (reprint author), Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM surya.kalidindi@me.gatech.edu FU U.S. Department of Energy, Office of Nuclear Engineering, Nuclear Engineering Enabling Technologies (DOE-NEET); National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX Authors acknowledge funding from U.S. Department of Energy, Office of Nuclear Engineering, Nuclear Engineering Enabling Technologies (2013 DOE-NEET). The MTS nanoindenter XP and the TSL-OIM system (integrated with the ESEM Philips XL-30) used in this study is maintained and operated by the Centralized Research Facilities in the College of Engineering at Drexel University. SJV is currently at Los Alamos National Laboratory. 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 61 TC 5 Z9 5 U1 7 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD JUN PY 2016 VL 81 BP 87 EP 101 DI 10.1016/j.ijplas.2016.01.001 PG 15 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA DM2ZF UT WOS:000376215900005 ER PT J AU Eslinger, PW Bowyer, TW Achim, P Chai, TF Deconninck, B Freeman, K Generoso, S Hayes, P Heidmann, V Hoffman, I Kijima, Y Krysta, M Malo, A Maurer, C Ngan, F Robins, P Ross, JO Saunier, O Schlosser, C Schoppner, M Schrom, BT Seibert, P Stein, AF Ungar, K Yi, J AF Eslinger, Paul W. Bowyer, Ted W. Achim, Pascal Chai, Tianfeng Deconninck, Benoit Freeman, Katie Generoso, Sylvia Hayes, Philip Heidmann, Verena Hoffman, Ian Kijima, Yuichi Krysta, Monika Malo, Alain Maurer, Christian Ngan, Fantine Robins, Peter Ross, J. Ole Saunier, Olivier Schlosser, Clemens Schoeppner, Michael Schrom, Brian T. Seibert, Petra Stein, Ariel F. Ungar, Kurt Yi, Jing TI International challenge to predict the impact of radioxenon releases from medical isotope production on a comprehensive nuclear test ban treaty sampling station SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Medical isotope production; Xe-133; Source-term estimation; Atmospheric modeling; CTBTO ID VARIATIONAL DATA ASSIMILATION; DISPERSION MODEL FLEXPART; ATMOSPHERIC TRANSPORT; PRODUCTION FACILITIES; RADIOACTIVE XENON; CTBT VERIFICATION; SYSTEM; ENSEMBLE; DEPOSITION; GAS AB The International Monitoring System (IMS) is part of the verification regime for the Comprehensive Nuclear-Test-Ban-Treaty Organization (CTBTO). At entry-into-force, half of the 80 radionuclide stations will be able to measure concentrations of several radioactive xenon isotopes produced in nuclear explosions, and then the full network may be populated with xenon monitoring afterward. An understanding of natural and man-made radionuclide backgrounds can be used in accordance with the provisions of the treaty (such as event screening criteria in Annex 2 to the Protocol of the Treaty) for the effective implementation of the verification regime. Fission-based production of Mo-99 for medical purposes also generates nuisance radioxenon isotopes that are usually vented to the atmosphere. One of the ways to account for the effect emissions from medical isotope production has on radionuclide samples from the IMS is to use stack monitoring data, if they are available, and atmospheric transport modeling. Recently, individuals from seven nations participated in a challenge exercise that used atmospheric transport modeling to predict the time-history of Xe-133 concentration measurements at the IMS radionuclide station in Germany using stack monitoring data from a medical isotope production facility in Belgium. Participants received only stack monitoring data and used the atmospheric transport model and meteorological data of their choice. Some of the models predicted the highest measured concentrations quite well. A model comparison rank and ensemble analysis suggests that combining multiple models may provide more accurate predicted concentrations than any single model. None of the submissions based only on the stack monitoring data predicted the small measured concentrations very well. Modeling of sources by other nuclear facilities with smaller releases than medical isotope production facilities may be important in understanding how to discriminate those releases from releases from a nuclear explosion. Published by Elsevier Ltd. C1 [Eslinger, Paul W.; Bowyer, Ted W.; Schrom, Brian T.] Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. [Achim, Pascal; Generoso, Sylvia] CEA, DAM, DIF, F-91297 Arpajon, France. [Chai, Tianfeng; Ngan, Fantine; Stein, Ariel F.] NOAA Air Resources Lab, College Pk, MD USA. [Deconninck, Benoit] Inst Radioelements, Fleurus, Belgium. [Freeman, Katie; Robins, Peter] AWE, Reading RG7 4PR, Berks, England. [Hayes, Philip] Air Force Tech Applicat Ctr, Patrick Air Force Base, FL USA. [Heidmann, Verena; Schlosser, Clemens] Fed Off Radiat Protect Bundesamt Strahlenschutz B, Frieburg, Switzerland. [Hoffman, Ian; Ungar, Kurt; Yi, Jing] Hlth Canada, Radiat Protect Bur, Ottawa, ON K1A 0L2, Canada. [Kijima, Yuichi] Japan Atom Energy Agcy, Tokai, Ibaraki, Japan. [Krysta, Monika] Int Data Ctr, CTBTO, Vienna, Austria. [Malo, Alain] Environm Canada, Canadian Meteorol Ctr, Dorval, PQ, Canada. [Maurer, Christian] Zent Anstalt Meteorol & Geodynam, Vienna, Austria. [Ross, J. Ole] Fed Inst Geosci & Nat Resources BGR, Hannover, Germany. [Saunier, Olivier] French Inst Radiat Protect & Nucl Safety, Fontenay Aux Roses, France. [Schoeppner, Michael] Princeton Univ, Program Sci & Global Secur, Princeton, NJ 08544 USA. [Seibert, Petra] Unziv Nat Resources & Life Sci, Inst Meteorol, Vienna, Austria. [Seibert, Petra] Univ Vienna, Dept Meteorol & Geophys, Vienna, Austria. RP Eslinger, PW (reprint author), Pacific NW Natl Lab, MSIN K7-76,902 Battelle Blvd,POB 999, Richland, WA USA. EM paul.w.eslinger@pnnl.gov; ted.bowyer@pnnl.gov; pascal.achim@cea.fr; tianfeng.chai@noaa.gov; Benoit.Deconninck@ire-elit.eu; sylvia.generoso@cea.fr; philip.hayes.2@us.af.mil; ian.hoffman@hc-sc.gc.ca; kijima.yuichi@jaea.go.jp; monika.krysta@ctbto.org; christian.maurer@zamg.ac.at; fantine.ngan@noaa.gov; peter.robins@awe.co.uk; ole.ross@bgr.de; olivier.saunier@irsn.fr; cschlosser@bfs.de; schoeppner@princeton.edu; brian.schrom@pnnl.gov; petra.seibert@univie.ac.at; ariel.stein@noaa.gov; Kurt.Ungar@hc-sc.gc.ca RI Stein, Ariel F/L-9724-2014; Chai, Tianfeng/E-5577-2010; Ngan, Fong/G-1324-2012; OI Stein, Ariel F/0000-0002-9560-9198; Chai, Tianfeng/0000-0003-3520-2641; Ngan, Fong/0000-0002-7263-7727; Malo, Alain/0000-0003-2441-3216 FU U.S. Department of State; U.S. Defense Threat Reduction Agency FX Some of the authors wish to acknowledge the funding support of the U.S. Department of State and the U.S. Defense Threat Reduction Agency. NR 51 TC 3 Z9 3 U1 2 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD JUN PY 2016 VL 157 BP 41 EP 51 DI 10.1016/j.jenvrad.2016.03.001 PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA DL7HL UT WOS:000375811700005 PM 26998569 ER PT J AU Ireland, PJ Bragg, AD Collins, LR AF Ireland, Peter J. Bragg, Andrew D. Collins, Lance R. TI The effect of Reynolds number on inertial particle dynamics in isotropic turbulence. Part 2. Simulations with gravitational effects SO JOURNAL OF FLUID MECHANICS LA English DT Article DE isotropic turbulence; particle/fluid flow; turbulent flows ID DIRECT NUMERICAL SIMULATIONS; HEAVY-PARTICLES; PREFERENTIAL CONCENTRATION; SETTLING VELOCITY; COLLISION RATES; CLOUD DROPLETS; HOMOGENEOUS TURBULENCE; SUSPENDED PARTICLES; AEROSOL-PARTICLES; 2-WAY INTERACTION AB In Part 1 of this study (Ireland et al., J. Fluid Mech., vol. 796, 2016, pp. 617-658), we analysed the motion of inertial particles in isotropic turbulence in the absence of gravity using direct numerical simulation (DNS). Here, in Part 2, we introduce gravity and study its effect on single-particle and particle-pair dynamics over a wide range of flow Reynolds numbers, Froude numbers and particle Stokes numbers. The overall goal of this study is to explore the mechanisms affecting particle collisions, and to thereby improve our understanding of droplet interactions in atmospheric clouds. We find that the dynamics of heavy particles falling under gravity can be artificially influenced by the finite domain size and the periodic boundary conditions, and we therefore perform our simulations on larger domains to reduce these effects. We first study single-particle statistics that influence the relative positions and velocities of inertial particles. We see that gravity causes particles to sample the flow more uniformly and reduces the time particles can spend interacting with the underlying turbulence. We also find that gravity tends to increase inertial particle accelerations, and we introduce a model to explain that effect. We then analyse the particle relative velocities and radial distribution functions (RDFs), which are generally seen to be independent of Reynolds number for low and moderate Kolmogorov-scale Stokes numbers St. We see that gravity causes particle relative velocities to decrease by reducing the degree of preferential sampling and the importance of path-history interactions, and that the relative velocities have higher scaling exponents with gravity. We observe that gravity has a non-trivial effect on clustering, acting to decrease clustering at low St and to increase clustering at high St. By considering the effect of gravity on the clustering mechanisms described in the theory of Zaichik & Alipchenkov (New J. Phys., vol. 11, 2009, 103018), we provide an explanation for this non-trivial effect of gravity. We also show that when the effects of gravity are accounted for in the theory of Zaichik & Alipchenkov (2009), the results compare favourably with DNS. The relative velocities and RDFs exhibit considerable anisotropy at small separations, and this anisotropy is quantified using spherical harmonic functions. We use the relative velocities and the RDFs to compute the particle collision kernels, and find that the collision kernel remains as it was for the case without gravity, namely nearly independent of Reynolds number for low and moderate St. We conclude by discussing practical implications of the results for the cloud physics and turbulence communities and by suggesting possible avenues for future research. C1 [Ireland, Peter J.; Bragg, Andrew D.; Collins, Lance R.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA. [Ireland, Peter J.; Bragg, Andrew D.; Collins, Lance R.] Int Collaborat Turbulence Res, Ithaca, NY USA. [Bragg, Andrew D.] Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Collins, LR (reprint author), Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA.; Collins, LR (reprint author), Int Collaborat Turbulence Res, Ithaca, NY USA. EM lc246@cornell.edu FU National Science Foundation [0756510, 0967349]; Cornell University; US National Center for Atmospheric Research (Computational and Information Systems Laboratory) [ACOR0001, P35091057] FX The authors gratefully acknowledge G. Good, S. Pope and P. Sukheswalla for many helpful discussions. The work was supported by the National Science Foundation through CBET grants 0756510 and 0967349, and through a graduate research fellowship to P.J.I. Additional funding was provided by Cornell University. Computational simulations were performed on Yellowstone (ark:/85065/d7wd3xhc) at the US National Center for Atmospheric Research (Computational and Information Systems Laboratory 2012) under grants ACOR0001 and P35091057, and on resources at the Max Planck Institute for Dynamics and Self-Organization. We are grateful to D. Flieger for assistance with the computational resources at the Max Planck Institute. NR 68 TC 6 Z9 6 U1 14 U2 19 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD JUN PY 2016 VL 796 DI 10.1017/jfm.2016.227 PG 53 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA DM2TL UT WOS:000376200300024 ER PT J AU Ireland, PJ Bragg, AD Collins, LR AF Ireland, Peter J. Bragg, Andrew D. Collins, Lance R. TI The effect of Reynolds number on inertial particle dynamics in isotropic turbulence. Part 1. Simulations without gravitational effects SO JOURNAL OF FLUID MECHANICS LA English DT Article DE isotropic turbulence; particle/fluid flow; turbulent flows ID DIRECT NUMERICAL SIMULATIONS; RELATIVE VELOCITY STATISTICS; FULLY-DEVELOPED TURBULENCE; NAVIER-STOKES TURBULENCE; PREFERENTIAL CONCENTRATION; COLLISION RATES; HEAVY-PARTICLES; ACCELERATION STATISTICS; HOMOGENEOUS TURBULENCE; RAIN INITIATION AB In this study, we analyse the statistics of both individual inertial particles and inertial particle pairs in direct numerical simulations of homogeneous isotropic turbulence in the absence of gravity. The effect of the Taylor microscale Reynolds number, R-lambda, on the particle statistics is examined over the largest range to date (from R-lambda = 88 to 597), at small, intermediate and large Kolmogorov-scale Stokes numbers St. We first explore the effect of preferential sampling on the single-particle statistics and find that low-St inertial particles are ejected from both vortex tubes and vortex sheets (the latter becoming increasingly prevalent at higher Reynolds numbers) and preferentially accumulate in regions of irrotational dissipation. We use this understanding of preferential sampling to provide a physical explanation for many of the trends in the particle velocity gradients, kinetic energies and accelerations at low St, which are well represented by the model of Chun et al. (J. Fluid Mech., vol. 536, 2005, pp. 219-251). As St increases, inertial filtering effects become more important, causing the particle kinetic energies and accelerations to decrease. The effect of inertial filtering on the particle kinetic energies and accelerations diminishes with increasing Reynolds number and is well captured by the models of Abrahamson (Chem. Engng Sci., vol. 30, 1975, pp. 1371-1379) and Zaichik & Alipchenkov (Intl J. Multiphase Flow, vol. 34 (9), 2008, pp. 865-868), respectively. We then consider particle-pair statistics, and focus our attention on the relative velocities and radial distribution functions (RDFs) of the particles, with the aim of understanding the underlying physical mechanisms contributing to particle collisions. The relative velocity statistics indicate that preferential sampling effects are important for St less than or similar to 0.1 and that path-history/non-local effects become increasingly important for St greater than or similar to 0.2. While higher-order relative velocity statistics are influenced by the increased intermittency of the turbulence at high Reynolds numbers, the lower-order relative velocity statistics are only weakly sensitive to changes in Reynolds number at low St. The Reynolds-number trends in these quantities at intermediate and large St are explained based on the influence of the available flow scales on the path-history and inertial filtering effects. We find that the RDFs peak near St of order unity, that they exhibit power-law scaling for low and intermediate St and that they are largely independent of Reynolds number for low and intermediate St. We use the model of Zaichik & Alipchenkov (New J. Phys., vol. 11, 2009, 103018) to explain the physical mechanisms responsible for these trends, and find that this model is able to capture the quantitative behaviour of the RDFs extremely well when direct numerical simulation data for the structure functions are specified, in agreement with Bragg & Collins (New J. Phys., vol. 16, 2014a, 055013). We also observe that at large St, changes in the RDF are related to changes in the scaling exponents of the relative velocity variances. The particle collision kernel closely matches that computed by Rosa et al. (New J. Phys., vol. 15, 2013, 045032) and is found to be largely insensitive to the flow Reynolds number. This suggests that relatively low-Reynolds-number simulations may be able to capture much of the relevant physics of droplet collisions and growth in the adiabatic cores of atmospheric clouds. C1 [Ireland, Peter J.; Bragg, Andrew D.; Collins, Lance R.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA. [Ireland, Peter J.; Bragg, Andrew D.; Collins, Lance R.] Int Collaborat Turbulence Res, Ithaca, NY USA. [Bragg, Andrew D.] Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Collins, LR (reprint author), Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA.; Collins, LR (reprint author), Int Collaborat Turbulence Res, Ithaca, NY USA. EM lc246@cornell.edu FU National Science Foundation through CBET grants [0756510, 0967349]; Cornell University; NCAR's Computational and Information Systems Laboratory - National Science Foundation [ACOR0001, P35091057] FX The authors gratefully acknowledge P. Sukheswalla for helpful discussions regarding this work. This work was supported by the National Science Foundation through CBET grants 0756510 and 0967349, and through a graduate research fellowship awarded to P.J.I. Additional funding was provided by Cornell University. We would also like to acknowledge high-performance computing support from Yellowstone (ark:/85065/d7wd3xhc) provided by NCAR's Computational and Information Systems Laboratory through grants ACOR0001 and P35091057, sponsored by the National Science Foundation. NR 106 TC 3 Z9 3 U1 10 U2 15 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD JUN PY 2016 VL 796 DI 10.1017/jfm.2016.238 PG 42 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA DM2TL UT WOS:000376200300023 ER PT J AU McClure, JE Berrill, MA Gray, WG Miller, CT AF McClure, J. E. Berrill, M. A. Gray, W. G. Miller, C. T. TI Tracking interface and common curve dynamics for two-fluid flow in porous media SO JOURNAL OF FLUID MECHANICS LA English DT Article DE contact lines; multiphase flow; porous media ID LATTICE BOLTZMANN-EQUATION; AVERAGING THEORY APPROACH; MOVING CONTACT LINES; CAPILLARY-PRESSURE; MEDIUM SYSTEMS; 2-PHASE FLOW; NUMERICAL-SIMULATION; MULTIPHASE FLOW; TRANSPORT PHENOMENA; SPURIOUS CURRENTS AB The movements of fluid-fluid interfaces and the common curve are an important aspect of two-fluid-phase flow through porous media. The focus of this work is to develop, apply and evaluate methods to simulate two-fluid-phase flow in porous medium systems at the microscale and to demonstrate how these results can be used to support evolving macroscale models. Of particular concern is the problem of spurious velocities that confound the accurate representation of interfacial dynamics in such systems. To circumvent this problem, a combined level-set and lattice-Boltzmann method is advanced to simulate and track the dynamics of the fluid-fluid interface and of the common curve during simulations of two-fluid-phase flow in porous media. We demonstrate that the interface and common curve velocities can be determined accurately, even when spurious currents are generated in the vicinity of interfaces. Static and dynamic contact angles are computed and shown to agree with existing slip models. A resolution study is presented for dynamic drainage and imbibition in a sphere pack, demonstrating the sensitivity of averaged quantities to resolution. C1 [McClure, J. E.] Virginia Tech, Adv Res Comp, Blacksburg, VI 24061 USA. [Berrill, M. A.] Oak Ridge Natl Lab, Sci Comp Grp, Oak Ridge, TN 37831 USA. [Gray, W. G.; Miller, C. T.] Univ N Carolina, Dept Environm Sci & Engn, Chapel Hill, NC 27599 USA. RP McClure, JE (reprint author), Virginia Tech, Adv Res Comp, Blacksburg, VI 24061 USA. EM mcclurej@vt.edu OI Berrill, Mark/0000-0002-4525-3939 FU National Science Foundation [0941235]; Department of Energy [DE-SC0002163]; Army Research Office [W911NF-14-1-0287]; DOE Office of Science User Facility [DE-AC05-00OR22725] FX This work was supported by National Science Foundation Grant 0941235, Department of Energy Grant DE-SC0002163, and Army Research Office Grant W911NF-14-1-0287. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research also used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. NR 80 TC 3 Z9 3 U1 3 U2 16 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD JUN PY 2016 VL 796 DI 10.1017/jfm.2016.212 PG 22 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA DM2TL UT WOS:000376200300009 ER PT J AU Pini, R Vandehey, NT Druhan, J O'Neil, JP Benson, SM AF Pini, Ronny Vandehey, Nicholas T. Druhan, Jennifer O'Neil, James P. Benson, Sally M. TI Quantifying solute spreading and mixing in reservoir rocks using 3-D PET imaging SO JOURNAL OF FLUID MECHANICS LA English DT Article DE convection in porous media; mixing and dispersion; porous media ID POSITRON-EMISSION-TOMOGRAPHY; STOCHASTIC-CONVECTIVE TRANSPORT; HETEROGENEOUS POROUS-MEDIA; END PORE VOLUME; REACTIVE TRANSPORT; HYDRODYNAMIC DISPERSION; COMPUTED-TOMOGRAPHY; NONLINEAR REACTION; TRACER DISPERSION; SEDIMENTARY-ROCKS AB We report results of an experimental investigation into the effects of small-scale (mm-cm) heterogeneities on solute spreading and mixing in a Berea sandstone core. Pulse-tracer tests have been carried out in the Peclet number regime Pe = 6-40 and are supplemented by a unique combination of two imaging techniques. X-ray computed tomography (CT) is used to quantify subcore-scale heterogeneities in terms of permeability contrasts at a spatial resolution of approximately 10 mm(3), while [11C] positron emission tomography (PET) is applied to image the spatial and temporal evolution of the full tracer plume non-invasively. To account for both advective spreading and local (Fickian) mixing as driving mechanisms for solute transport, a streamtube model is applied that is based on the one-dimensional advection-dispersion equation. We refer to our modelling approach as semideterministic, because the spatial arrangement of the streamtubes and the corresponding solute travel times are known from the measured rock's permeability map, which required only small adjustments to match the measured tracer breakthrough curve. The model reproduces the three-dimensional PET measurements accurately by capturing the larger-scale tracer plume deformation as well as subcore-scale mixing, while confirming negligible transverse dispersion over the scale of the experiment. We suggest that the obtained longitudinal dispersivity (0 : 10 +/- 0 : 02 cm) is rock rather than sample specific, because of the ability of the model to decouple subcore-scale permeability heterogeneity effects from those of local dispersion. As such, the approach presented here proves to be very valuable, if not necessary, in the context of reservoir core analyses, because rock samples can rarely be regarded as 'uniformly heterogeneous'. C1 [Pini, Ronny] Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn, London SW7 2AZ, England. [Vandehey, Nicholas T.; O'Neil, James P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Radiotracer Dev & Imaging Technol, Berkeley, CA 94720 USA. [Druhan, Jennifer] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Benson, Sally M.] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA. [Druhan, Jennifer] Univ Illinois, Dept Geol, Champaign, IL 61820 USA. RP Pini, R (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn, London SW7 2AZ, England. EM r.pini@imperial.ac.uk NR 65 TC 1 Z9 1 U1 1 U2 11 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD JUN PY 2016 VL 796 DI 10.1017/jfm.2016.262 PG 30 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA DM2TL UT WOS:000376200300021 ER PT J AU Dahari, H Canini, L Graw, F Uprichard, SL Araujo, ESA Penaranda, G Coquet, E Chiche, L Riso, A Renou, C Bourliere, M Cotler, SJ Halfon, P AF Dahari, Harel Canini, Laetitia Graw, Frederik Uprichard, Susan L. Araujo, Evaldo S. A. Penaranda, Guillaume Coquet, Emilie Chiche, Laurent Riso, Aurelie Renou, Christophe Bourliere, Marc Cotler, Scott J. Halfon, Philippe TI HCV kinetic and modeling analyses indicate similar time to cure among sofosbuvir combination regimens with daclatasvir, simeprevir or ledipasvir SO JOURNAL OF HEPATOLOGY LA English DT Article DE HCV; Viral kinetics; Mathematical modeling; SVR; Duration of therapy ID HEPATITIS-C VIRUS; GENOTYPE 1 INFECTION; NS5A INHIBITOR DACLATASVIR; VIROLOGICAL RESPONSE; TRANSIENT ELASTOGRAPHY; TREATMENT DURATION; TREATMENT-NAIVE; VIRAL KINETICS; OPEN-LABEL; RIBAVIRIN AB Background & Aims: Recent clinical trials of direct-acting-antiviral agents (DAAs) against hepatitis C virus (HCV) achieved >90% sustained virological response (SVR) rates, suggesting that cure often took place before the end of treatment (EOT). We sought to evaluate retrospectively whether early response kinetics can provide the basis to individualize therapy to achieve optimal results while reducing duration and cost. Methods: 58 chronic HCV patients were treated with 12-week sofosbuvir + simeprevir (n = 19), sofosbuvir + daclatasvir (n = 19), or sofosbuvir + ledipasvir in three French referral centers. HCV was measured at baseline, day 2, every other week, EOT and 12 weeks post EOT. Mathematical modeling was used to predict the time to cure, i.e., <1 virus copy in the entire extracellular body fluid. Results: All but one patient who relapsed achieved SVR. Mean age was 60 +/- 11 years, 53% were male, 86% HCV genotype-1, 9% HIV coinfected, 43% advanced fibrosis (F3), and 57% had cirrhosis. At weeks 2, 4 and 6, 48%, 88% and 100% of patients had HCV <15 IU/ml, with 27%, 74% and 91% of observations having target not detected, respectively. Modeling results predicted that 23 (43%), 16 (30%), 7 (13%), 5 (9%) and 3 (5%) subjects were predicted to reach cure within 6, 8, 10, 12 and 13 weeks of therapy, respectively. The modeling suggested that the patient who relapsed would have benefitted from an additional week of sofosbuvir + ledipasvir. Adjusting duration of treatment according to the modeling predicts reduced medication costs of 43-45% and 17-30% in subjects who had HCV <15 IU/ml at weeks 2 and 4, respectively. Conclusions: The use of early viral kinetic analysis has the potential to individualize duration of DAA therapy with a projected average cost saving of 16-20% per 100-treated persons. (C) 2016 European Association for the Study of the Liver. Published by Elsevier B.V. All rights reserved. C1 [Dahari, Harel; Canini, Laetitia; Uprichard, Susan L.; Cotler, Scott J.] Loyola Univ, Med Ctr, Div Hepatol, Program Expt & Theoret Modeling, Maywood, IL 60153 USA. [Dahari, Harel] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. [Canini, Laetitia] Univ Edinburgh, Ctr Immun Infect & Evolut, Edinburgh, Midlothian, Scotland. [Graw, Frederik] Heidelberg Univ, BioQuant Ctr, Ctr Modeling & Simulat Biosci, Heidelberg, Germany. [Araujo, Evaldo S. A.] Univ Sao Paulo, Hosp Clin, Sao Paulo, Brazil. [Penaranda, Guillaume; Halfon, Philippe] Lab Alphabio, Marseille, France. [Coquet, Emilie; Chiche, Laurent; Halfon, Philippe] Hop Europeen, Internal Med & Infect Dis, Marseille, France. [Riso, Aurelie; Bourliere, Marc] Hop St Joseph, Div Hepatol, Marseille, France. [Renou, Christophe] CH Hyeres, Div Hepatol, Hyeres, France. [Dahari, Harel] Hop Europeen, Lab Alphabio, Internal Med & Infect Dis Dept, F-13003 Marseille, France. RP Dahari, H (reprint author), Hop Europeen, Lab Alphabio, Internal Med & Infect Dis Dept, F-13003 Marseille, France.; Halfon, P (reprint author), Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, 2160 S First Ave, Maywood, IL 60153 USA. EM harel.dahari@gmail.com; philippe.halfon@alphabio.fr OI PENARANDA, Guillaume/0000-0002-7461-4254 FU NIH [R01-AI078881, P20-GM103452]; U.S. Department of Energy [DE-AC52-06NA25396]; UK Biotechnology and Biological Sciences Research Council [1698:BB/L001330/1]; Center for Modeling and Simulation in the Biosciences FX Portions of this work were supported by NIH grants R01-AI078881 (SLU and HD) and P20-GM103452 ( HD), the U.S. Department of Energy contract DE-AC52-06NA25396 ( HD), the UK Biotechnology and Biological Sciences Research Council - grant reference 1698:BB/L001330/1 (LC), and the Center for Modeling and Simulation in the Biosciences (FG). None of the sponsors had any role in the design and conduct of the study; collection, management, analysis and interpretation of the data; preparation, review, or approval of the manuscript; and decision to submit the manuscript for publication. NR 45 TC 3 Z9 3 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-8278 EI 1600-0641 J9 J HEPATOL JI J. Hepatol. PD JUN PY 2016 VL 64 IS 6 BP 1232 EP 1239 DI 10.1016/j.jhep.2016.02.022 PG 8 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA DL9AS UT WOS:000375934200009 PM 26907973 ER PT J AU Loo, RRO Loo, JA AF Loo, Rachel R. Ogorzalek Loo, Joseph A. TI Salt Bridge Rearrangement (SaBRe) Explains the Dissociation Behavior of Noncovalent Complexes SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Electrospray ionization; Noncovalent complexes; Asymmetric dissociations; Supercharging; Salt bridges; Ion pairs; Tandem mass spectrometry ID IONIZATION MASS-SPECTROMETRY; SURFACE-INDUCED DISSOCIATION; COLLISION-INDUCED DISSOCIATION; PROTEIN-LIGAND COMPLEXES; ION-MOLECULE REACTIONS; GAS-PHASE ZWITTERIONS; MULTIPLY-CHARGED IONS; ELECTROSPRAY-IONIZATION; MULTIPROTEIN COMPLEXES; CONFORMATIONAL-CHANGES AB Native electrospray ionization-mass spectrometry, with gas-phase activation and solution compositions that partially release subcomplexes, can elucidate topologies of macromolecular assemblies. That so much complexity can be preserved in gas-phase assemblies is remarkable, although a long-standing conundrum has been the differences between their gas- and solution-phase decompositions. Collision-induced dissociation of multimeric noncovalent complexes typically distributes products asymmetrically (i.e., by ejecting a single subunit bearing a large percentage of the excess charge). That unexpected behavior has been rationalized as one subunit "unfolding" to depart with more charge. We present an alternative explanation based on heterolytic ion-pair scission and rearrangement, a mechanism that inherently partitions charge asymmetrically. Excessive barriers to dissociation are circumvented in this manner, when local charge rearrangements access a lower-barrier surface. An implication of this ion pair consideration is that stability differences between high- and low-charge state ions usually attributed to Coulomb repulsion may, alternatively, be conveyed by attractive forces from ion pairs (salt bridges) stabilizing low-charge state ions. Should the number of ion pairs be roughly inversely related to charge, symmetric dissociations would be favored from highly charged complexes, as observed. Correlations between a gas-phase protein's size and charge reflect the quantity of restraining ion pairs. Collisionally-facilitated salt bridge rearrangement (SaBRe) may explain unusual size "contractions" seen for some activated, low charge state complexes. That some low-charged multimers preferentially cleave covalent bonds or shed small ions to disrupting noncovalent associations is also explained by greater ion pairing in low charge state complexes. C1 [Loo, Rachel R. Ogorzalek; Loo, Joseph A.] Univ Calif Los Angeles, David Geffen Sch Med, Dept Biol Chem, Los Angeles, CA 90095 USA. [Loo, Joseph A.] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. [Loo, Joseph A.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. RP Loo, RRO; Loo, JA (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Dept Biol Chem, Los Angeles, CA 90095 USA.; Loo, JA (reprint author), Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.; Loo, JA (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. EM RLoo@mednet.ucla.edu; jloo@chem.ucla.edu FU US National Institutes of Health [R01GM103479]; US Department of Energy (UCLA Institute for Genomics and Proteomics) [DE-FC03-02ER63421] FX The authors acknowledge support from the US National Institutes of Health (R01GM103479) and the US Department of Energy (UCLA Institute for Genomics and Proteomics; DE-FC03-02ER63421). NR 98 TC 4 Z9 4 U1 1 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JUN PY 2016 VL 27 IS 6 BP 975 EP 990 DI 10.1007/s13361-016-1375-3 PG 16 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA DM1KI UT WOS:000376103700004 PM 27052739 ER PT J AU Garimella, SVB Ibrahim, YM Tang, KQ Webb, IK Baker, ES Tolmachev, AV Chen, TC Anderson, GA Smith, RD AF Garimella, Sandilya V. B. Ibrahim, Yehia M. Tang, Keqi Webb, Ian K. Baker, Erin S. Tolmachev, Aleksey V. Chen, Tsung-Chi Anderson, Gordon A. Smith, Richard D. TI Spatial Ion Peak Compression and its Utility in Ion Mobility Spectrometry SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Ion mobility spectrometry; Diffusion; Peak compression; High resolution IMS ID FLIGHT MASS-SPECTROMETRY; WAVE-FORMS; MANIPULATIONS; IDENTIFICATION; SEPARATIONS; PERFORMANCE; INTERFACE; SELECTION; PEPTIDES; FAIMS AB A novel concept for ion spatial peak compression is described, and discussed primarily in the context of ion mobility spectrometry (IMS). Using theoretical and numerical methods, the effects of using non-constant (e.g., linearly varying) electric fields on ion distributions (e.g., an ion mobility peak) is evaluated both in the physical and temporal domains. The application of a linearly decreasing electric field in conjunction with conventional drift field arrangements is shown to lead to a reduction in IMS physical peak width. When multiple ion packets (i.e., peaks) in a selected mobility window are simultaneously subjected to such fields, there is ion packet compression (i.e., a reduction in peak widths for all species). This peak compression occurs with only a modest reduction of resolution, which can be quickly recovered as ions drift in a constant field after the compression event. Compression also yields a significant increase in peak intensities. Ion mobility peak compression can be particularly useful for mitigating diffusion-driven peak broadening over very long path length separations (e.g., in cyclic multi-pass arrangements), and for achieving higher S/N and IMS resolution over a selected mobility range. C1 [Garimella, Sandilya V. B.; Ibrahim, Yehia M.; Tang, Keqi; Webb, Ian K.; Baker, Erin S.; Tolmachev, Aleksey V.; Chen, Tsung-Chi; Anderson, Gordon A.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM rds@pnnl.gov RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Garimella, Sandilya Venkata Bhaskara/0000-0001-6649-9842 FU Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-Omics Program; National Institutes of Health (NIH) NIGMS [P41 GM103493]; DOE [DE-AC05-76RL0 1830] FX Portions of this research were supported by the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-Omics Program, and by the National Institutes of Health (NIH) NIGMS grant P41 GM103493. Work was performed in the Environmental Molecular Sciences Laboratory (EMSL), a DOE national scientific user facility at the Pacific Northwest National Laboratory (PNNL) in Richland, WA. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RL0 1830. NR 43 TC 2 Z9 2 U1 5 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JUN PY 2016 VL 27 IS 6 BP 1128 EP 1135 DI 10.1007/s13361-016-1371-7 PG 8 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA DM1KI UT WOS:000376103700020 PM 27052738 ER PT J AU Stanley, FE Byerly, BL Thomas, MR Spencer, KJ AF Stanley, F. E. Byerly, Benjamin L. Thomas, Mariam R. Spencer, Khalil J. TI Static, Mixed-Array Total Evaporation for Improved Quantitation of Plutonium Minor Isotopes in Small Samples SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Nuclear forensics; Plutonium; Thermal ionization mass spectrometry; Total evaporation ID IONIZATION MASS-SPECTROMETRY; URANIUM AB Actinide isotope measurements are a critical signature capability in the modern nuclear forensics "toolbox", especially when interrogating anthropogenic constituents in real-world scenarios. Unfortunately, established methodologies, such as traditional total evaporation via thermal ionization mass spectrometry, struggle to confidently measure low abundance isotope ratios (< 10(-6)) within already limited quantities of sample. Herein, we investigate the application of static, mixed array total evaporation techniques as a straightforward means of improving plutonium minor isotope measurements, which have been resistant to enhancement in recent years because of elevated radiologic concerns. Results are presented for small sample (similar to 20 ng) applications involving a well-known plutonium isotope reference material, CRM-126a, and compared with traditional total evaporation methods. C1 [Stanley, F. E.; Byerly, Benjamin L.; Thomas, Mariam R.; Spencer, Khalil J.] Los Alamos Natl Lab, 30 Bikini Atoll Rd, Los Alamos, NM 87545 USA. RP Stanley, FE (reprint author), Los Alamos Natl Lab, 30 Bikini Atoll Rd, Los Alamos, NM 87545 USA. EM floyd@lanl.gov OI Byerly, Benjamin/0000-0003-0165-8122 FU US DHS/DNDO Nuclear Forensics Postdoctoral Fellowship [HSHQDC-14-X-00028] FX The authors gratefully acknowledge the US DHS/DNDO Nuclear Forensics Postdoctoral Fellowship (HSHQDC-14-X-00028) and Dr. Lav Tandon for their support of B.L.B. throughout this work. The institutional number for this document is LA-UR-15-28287. NR 13 TC 2 Z9 2 U1 3 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JUN PY 2016 VL 27 IS 6 BP 1136 EP 1138 DI 10.1007/s13361-016-1380-6 PG 3 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA DM1KI UT WOS:000376103700021 PM 27032649 ER PT J AU Tencer, J Howell, JR AF Tencer, John Howell, John R. TI Coupling radiative heat transfer in participating media with other heat transfer modes SO JOURNAL OF THE BRAZILIAN SOCIETY OF MECHANICAL SCIENCES AND ENGINEERING LA English DT Article DE Conjugate heat transfer; Radiative transfer equation; Coupled radiation heat transfer; Participating media ID CORRELATED-K DISTRIBUTION; DISCRETE-ORDINATES METHOD; MOLECULAR SPECTROSCOPIC DATABASE; SPHERICAL-HARMONICS METHOD; FINITE-ELEMENT-METHOD; GRAY-GASES MODEL; SIMPLIFIED P-N; RECTANGULAR ENCLOSURE; THERMAL-RADIATION; SCATTERING MEDIA AB The common methods for finding the local radiative flux divergence in participating media through solution of the radiative transfer equation are outlined. The pros and cons of each method are discussed in terms of their speed, ability to handle spectral properties and scattering phenomena, as well as their accuracy in different ranges of media transport properties. The suitability of each method for inclusion in the energy equation to efficiently solve multi-mode thermal transfer problems is discussed. Finally, remaining topics needing research are outlined. C1 [Tencer, John] Sandia Natl Labs, Thermal & Fluid Proc, Albuquerque, NM USA. [Howell, John R.] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. RP Howell, JR (reprint author), Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. EM JTencer@sandia.gov; jhowell@mail.utexas.edu NR 148 TC 0 Z9 0 U1 3 U2 8 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1678-5878 EI 1806-3691 J9 J BRAZ SOC MECH SCI JI J. Braz. Soc. Mech. Sci. Eng. PD JUN PY 2016 VL 38 IS 5 BP 1473 EP 1487 DI 10.1007/s40430-015-0434-1 PG 15 WC Engineering, Mechanical SC Engineering GA DM1KP UT WOS:000376104500006 ER PT J AU Patterson, EE Hovanski, Y Field, DP AF Patterson, Erin E. Hovanski, Yuri Field, David P. TI Microstructural Characterization of Friction Stir Welded Aluminum-Steel Joints SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID FATIGUE BEHAVIOR; STAINLESS-STEEL; 6061-T6 SHEETS; SPOT WELDS; ALLOY; TEXTURE; EVOLUTION AB This work focuses on the microstructural characterization of aluminum to steel friction stir welded joints. Lap weld configuration coupled with scribe technology used for the weld tool have produced joints of adequate quality, despite the significant differences in hardness and melting temperatures of the alloys. Common to friction stir processes, especially those of dissimilar alloys, are microstructural gradients including grain size, crystallographic texture, and precipitation of intermetallic compounds. Because of the significant influence that intermetallic compound formation has on mechanical and ballistic behavior, the characterization of the specific intermetallic phases and the degree to which they are formed in the weld microstructure is critical to predicting weld performance. This study used electron backscatter diffraction, energy dispersive spectroscopy, scanning electron microscopy, and Vickers micro-hardness indentation to explore and characterize the microstructures of lap friction stir welds between an applique 6061-T6 aluminum armor plate alloy and a RHA homogeneous armor plate steel alloy. Macroscopic defects such as micro-cracks were observed in the cross-sectional samples, and binary intermetallic compound layers were found to exist at the aluminum-steel interfaces of the steel particles stirred into the aluminum weld matrix and across the interfaces of the weld joints. Energy dispersive spectroscopy chemical analysis identified the intermetallic layer as monoclinic Al3Fe. Dramatic decreases in grain size in the thermo-mechanically affected zones and weld zones that evidenced grain refinement through plastic deformation and recrystallization. Crystallographic grain orientation and texture were examined using electron backscatter diffraction. Striated regions in the orientations of the aluminum alloy were determined to be the result of the severe deformation induced by the complex weld tool geometry. Many of the textures observed in the weld zone and thermo-mechanically affected zones exhibited shear texture components; however, there were many textures that deviated from ideal simple shear. Factors affecting the microstructure which are characteristic of the friction stir welding process, such as post-recrystallization deformation and complex deformation induced by tool geometry were discussed as causes for deviation from simple shear textures. (C) The Minerals, Metals & Materials Society and ASM International 2016 C1 [Patterson, Erin E.; Field, David P.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Hovanski, Yuri] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Field, DP (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM dfield@wsu.edu FU United States Army Tank Automotive Research, Development, and Engineering Center; Pacific Northwest National Laboratory FX Funding for this project was provided by the United States Army Tank Automotive Research, Development, and Engineering Center via subcontract with Pacific Northwest National Laboratory. The insight of Dr. Nathaniel Sanchez and Dr. John Young on mechanical polishing of aluminum and dissimilar alloy specimens for EBSD is gratefully acknowledged. NR 35 TC 0 Z9 0 U1 12 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD JUN PY 2016 VL 47A IS 6 BP 2815 EP 2829 DI 10.1007/s11661-016-3428-4 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL0NW UT WOS:000375330700028 ER PT J AU Ukwatta, TN Wozniak, PR Gehrels, N AF Ukwatta, T. N. Wozniak, P. R. Gehrels, N. TI Machine-z: rapid machine-learned redshift indicator for Swift gamma-ray bursts SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gamma-ray burst: general ID PROMPT EMISSION PROPERTIES; HIGH-Z GRBS; RANDOM FORESTS; AFTERGLOW; UNIVERSE; CLASSIFICATION; REIONIZATION; EXPLOSION; SPECTRUM AB Studies of high-redshift gamma-ray bursts (GRBs) provide important information about the early Universe such as the rates of stellar collapsars and mergers, the metallicity content, constraints on the re-ionization period, and probes of the Hubble expansion. Rapid selection of high-z candidates from GRB samples reported in real time by dedicated space missions such as Swift is the key to identifying the most distant bursts before the optical afterglow becomes too dim to warrant a good spectrum. Here, we introduce 'machine-z' a redshift prediction algorithm and a 'high-z' classifier for Swift GRBs based on machine learning. Our method relies exclusively on canonical data commonly available within the first few hours after the GRB trigger. Using a sample of 284 bursts with measured redshifts, we trained a randomized ensemble of decision trees (random forest) to perform both regression and classification. Cross-validated performance studies show that the correlation coefficient between machine-z predictions and the true redshift is nearly 0.6. At the same time, our high-z classifier can achieve 80 per cent recall of true high-redshift bursts, while incurring a false positive rate of 20 per cent. With 40 per cent false positive rate the classifier can achieve 100 per cent recall. The most reliable selection of high-redshift GRBs is obtained by combining predictions from both the high-z classifier and the machine-z regressor. C1 [Ukwatta, T. N.; Wozniak, P. R.] Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA. [Gehrels, N.] NASA, Goddard Space Flight Ctr, Astroparticle Phys Div, Greenbelt, MD 20771 USA. RP Ukwatta, TN (reprint author), Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA. EM tilan@lanl.gov OI Wozniak, Przemyslaw/0000-0002-9919-3310 FU US Department of Energy; Laboratory Directed Research and Development programme at Los Alamos National Laboratory FX This work was funded by the US Department of Energy. We acknowledge support from the Laboratory Directed Research and Development programme at Los Alamos National Laboratory. We also thank the anonymous referee for comments that significantly improved the paper. NR 31 TC 0 Z9 0 U1 1 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUN 1 PY 2016 VL 458 IS 4 BP 3821 EP 3829 DI 10.1093/mnras/stw559 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DL7DG UT WOS:000375799500038 ER PT J AU Han, JY Hong, SY Lim, KS Han, J AF Han, Ji-Young Hong, Song-You Sunny Lim, Kyo-Sun Han, Jongil TI Sensitivity of a Cumulus Parameterization Scheme to Precipitation Production Representation and Its Impact on a Heavy Rain Event over Korea SO MONTHLY WEATHER REVIEW LA English DT Article DE Models and modeling; Convective parameterization; Numerical weather prediction; forecasting ID LARGE-SCALE MODELS; GLOBAL FORECAST SYSTEM; CONVECTION SCHEME; SUMMER MONSOON; CLIMATE; FLUX; CIRCULATION; IMPLEMENTATION; CLOUDS; CAM5 AB The sensitivity of a cumulus parameterization scheme (CPS) to a representation of precipitation production is examined. To do this, the parameter that determines the fraction of cloud condensate converted to precipitation in the simplified Arakawa-Schubert (SAS) convection scheme is modified following the results from a cloud-resolving simulation. While the original conversion parameter is assumed to be constant, the revised parameter includes a temperature dependency above the freezing level, which leads to less production of frozen precipitating condensate with height. The revised CPS has been evaluated for a heavy rainfall event over Korea as well as medium-range forecasts using the Global/Regional Integrated Model system (GRIMs). The inefficient conversion of cloud condensate to convective precipitation at colder temperatures generally leads to a decrease in precipitation, especially in the category of heavy rainfall. The resultant increase of detrained moisture induces moistening and cooling at the top of clouds. A statistical evaluation of the medium-range forecasts with the revised precipitation conversion parameter shows an overall improvement of the forecast skill in precipitation and large-scale fields, indicating importance of more realistic representation of microphysical processes in CPSs. C1 [Han, Ji-Young; Hong, Song-You] Korea Inst Atmospher Predict Syst, 4F,Hankuk Comp Bldg,35 Boramae Ro 5 Gil, Seoul 07071, South Korea. [Sunny Lim, Kyo-Sun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Han, Jongil] Syst Res Grp Inc, Camp Springs, MD USA. [Han, Jongil] Natl Ctr Environm Predict, Environm Modeling Ctr, Camp Springs, MD USA. RP Han, JY (reprint author), Korea Inst Atmospher Predict Syst, 4F,Hankuk Comp Bldg,35 Boramae Ro 5 Gil, Seoul 07071, South Korea. EM jy.han@kiaps.org RI Hong, Song-You/I-3824-2012 FU Korea Institute of Atmospheric Prediction Systems (KIAPS) - Korea Meteorological Administration (KMA); DOE [DE-AC05-76RLO 1830] FX The authors are grateful to the editor and three anonymous reviewers for providing valuable comments on this work. The first and second authors were supported by the R&D project on the development of global numerical weather prediction systems of the Korea Institute of Atmospheric Prediction Systems (KIAPS) funded by the Korea Meteorological Administration (KMA). The authors would like to acknowledge the support of the KIAPS Forecasts Verification team. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC05-76RLO 1830. NR 34 TC 0 Z9 0 U1 1 U2 3 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD JUN PY 2016 VL 144 IS 6 BP 2125 EP 2135 DI 10.1175/MWR-D-15-0255.1 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DM5MS UT WOS:000376393900001 ER PT J AU Dean, MPM Cao, Y Liu, X Wall, S Zhu, D Mankowsky, R Thampy, V Chen, XM Vale, JG Casa, D Kim, J Said, AH Juhas, P Alonso-Mori, R Glownia, JM Robert, A Robinson, J Sikorski, M Song, S Kozina, M Lemke, H Patthey, L Owada, S Katayama, T Yabashi, M Tanaka, Y Togashi, T Liu, J Serrao, CR Kim, BJ Huber, L Chang, CL McMorrow, DF Forst, M Hill, JP AF Dean, M. P. M. Cao, Y. Liu, X. Wall, S. Zhu, D. Mankowsky, R. Thampy, V. Chen, X. M. Vale, J. G. Casa, D. Kim, Jungho Said, A. H. Juhas, P. Alonso-Mori, R. Glownia, J. M. Robert, A. Robinson, J. Sikorski, M. Song, S. Kozina, M. Lemke, H. Patthey, L. Owada, S. Katayama, T. Yabashi, M. Tanaka, Yoshikazu Togashi, T. Liu, J. Serrao, C. Rayan Kim, B. J. Huber, L. Chang, C. -L. McMorrow, D. F. Foerst, M. Hill, J. P. TI Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr2IrO4 SO NATURE MATERIALS LA English DT Article ID X-RAY-SCATTERING; HEISENBERG-ANTIFERROMAGNET; SPIN; SUPERCONDUCTIVITY; OXIDES AB Measuring how the magnetic correlations evolve in doped Mott insulators has greatly improved our understanding of the pseudogap, non-Fermi liquids and high-temperature superconductivity(1-4). Recently, photo-excitation has been used to induce similarly exotic states transiently(5-7). However, the lack of available probes of magnetic correlations in the time domain hinders our understanding of these photo-induced states and how they could be controlled. Here, we implement magnetic resonant inelastic X-ray scattering at a free-electron laser to directly determine the magnetic dynamics after photo-doping the Mott insulator Sr2IrO4. We find that the non-equilibrium state, 2 ps after the excitation, exhibits strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. These two-dimensional (2D) in-plane Neel correlations recover within a few picoseconds, whereas the three-dimensional (3D) long-range magnetic order restores on a fluence-dependent timescale of a few hundred picoseconds. The marked difference in these two timescales implies that the dimensionality of magnetic correlations is vital for our understanding of ultrafast magnetic dynamics. C1 [Dean, M. P. M.; Cao, Y.; Thampy, V.; Chen, X. M.; Juhas, P.; Hill, J. P.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Liu, X.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Liu, X.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Liu, X.] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China. [Wall, S.] Barcelona Inst Sci & Technol, ICFO Inst Ciencies Foton, Castelldefels 08860, Barcelona, Spain. [Zhu, D.; Alonso-Mori, R.; Glownia, J. M.; Robert, A.; Robinson, J.; Sikorski, M.; Song, S.; Kozina, M.; Lemke, H.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Mankowsky, R.; Foerst, M.] Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany. [Mankowsky, R.; Foerst, M.] Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany. [Vale, J. G.; McMorrow, D. F.] UCL, London Ctr Nanotechnol, Mortimer St, London WC1E 6BT, England. [Vale, J. G.; McMorrow, D. F.] UCL, Dept Phys & Astron, Mortimer St, London WC1E 6BT, England. [Casa, D.; Kim, Jungho; Said, A. H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Patthey, L.] Paul Scherrer Inst, SwissEEL, CH-5232 Villigen, Switzerland. [Owada, S.; Yabashi, M.; Tanaka, Yoshikazu] RIKEN SPring 8 Ctr, Sayo, Hyogo 6795148, Japan. [Katayama, T.; Togashi, T.] Japan Synchrotron Radiat Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan. [Liu, J.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Serrao, C. Rayan] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Kim, B. J.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Huber, L.] ETH, Inst Quantum Elect, CH-8093 Zurich, Switzerland. [Chang, C. -L.] Univ Groningen, Zernike Inst Adv Mat, NL-9747 AG Groningen, Netherlands. RP Dean, MPM; Cao, Y (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.; Liu, X (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.; Liu, X (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.; Liu, X (reprint author), Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China. EM mdean@bnl.gov; ycao@bnl.gov; xliu@iphy.ac.cn RI Forst, Michael/D-8924-2012; Liu, Jian/I-6746-2013; Yabashi, Makina/A-2832-2015; McMorrow, Desmond/C-2655-2008; Wall, Simon/E-3771-2012; Lemke, Henrik Till/N-7419-2016; Dean, Mark/B-4541-2011; OI Liu, Jian/0000-0001-7962-2547; Yabashi, Makina/0000-0002-2472-1684; McMorrow, Desmond/0000-0002-4947-7788; Wall, Simon/0000-0002-6136-0224; Lemke, Henrik Till/0000-0003-1577-8643; Dean, Mark/0000-0001-5139-3543; Cao, Yue/0000-0002-3989-158X FU US Department of Energy Basic Energy Sciences Division of Materials Science and Engineering; MOST [2015CB921302]; CAS of China [XDB07020200]; Laboratory Directed Research and Development (LDRD) Program [12-007]; US Department of Energy [DE-AC02-06CH11357]; Spanish MINECO [SEV-2015-0522]; Ramon y Cajal programme [RYC-2013-14838]; Marie Curie Career Integration Grant [PCIG12 GA 2013 618487]; Fundacio Privada Cellex; Science Alliance Joint Directed Research and Development Program at the University of Tennessee; EPSRC; DOE Office of Science User Facility [DE-AC02-76SF00515] FX The X-ray scattering work by M.P.M.D., Y.C., V.T. and X.M.C. was supported by the US Department of Energy Basic Energy Sciences Division of Materials Science and Engineering. X.L. acknowledges financial support from MOST (No. 2015CB921302) and CAS (Grant No: XDB07020200) of China. P.J. acknowledges support by Laboratory Directed Research and Development (LDRD) Program 12-007 (ComplexModeling). J.K., D.C. and A.H.S. were supported by the US Department of Energy under Contract No. DE-AC02-06CH11357. S.W. acknowledges financial support from Spanish MINECO (Severo Ochoa grant SEV-2015-0522), Ramon y Cajal programme RYC-2013-14838, Marie Curie Career Integration Grant PCIG12 GA 2013 618487 and Fundacio Privada Cellex. J.L. is sponsored by the Science Alliance Joint Directed Research and Development Program at the University of Tennessee. Work in London was supported by the EPSRC. The magnetic Bragg peak measurements were performed at the BL3 of SACLA with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2014B8018). This research made use of the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, which is a DOE Office of Science User Facility, under Contract No. DE-AC02-76SF00515. NR 34 TC 7 Z9 7 U1 26 U2 70 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD JUN PY 2016 VL 15 IS 6 BP 601 EP + DI 10.1038/NMAT4641 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DM7HD UT WOS:000376528000009 PM 27159018 ER PT J AU Wang, Q Hisatomi, T Jia, QX Tokudome, H Zhong, M Wang, CZ Pan, ZH Takata, T Nakabayashi, M Shibata, N Li, YB Sharp, ID Kudo, A Yamada, T Domen, K AF Wang, Qian Hisatomi, Takashi Jia, Qingxin Tokudome, Hiromasa Zhong, Miao Wang, Chizhong Pan, Zhenhua Takata, Tsuyoshi Nakabayashi, Mamiko Shibata, Naoya Li, Yanbo Sharp, Ian D. Kudo, Akihiko Yamada, Taro Domen, Kazunari TI Scalable water splitting on particulate photocatalyst sheets with a solar-to-hydrogen energy conversion efficiency exceeding 1% SO NATURE MATERIALS LA English DT Article ID VISIBLE-LIGHT IRRADIATION; Z-SCHEME; ELECTRON MEDIATOR; OHMIC CONTACT; TEMPERATURE; COCATALYST; GENERATION; MEMBRANES; PROGRESS; DRIVEN AB Photocatalytic water splitting using particulate semiconductors is a potentially scalable and economically feasible technology for converting solar energy into hydrogen(1-3). Z-scheme systems based on two-step photoexcitation of a hydrogen evolution photocatalyst (HEP) and an oxygen evolution photocatalyst (OEP) are suited to harvesting of sunlight because semiconductors with either water reduction or oxidation activity can be applied to the water splitting reaction(4,5). However, it is challenging to achieve efficient transfer of electrons between HEP and OEP particles(6,7). Here, we present photocatalyst sheets based on La-and Rh-codoped SrTiO3 (SrTiO3:La, Rh; ref. 8) and Mo-doped BiVO4 (BiVO4:Mo) powders embedded into a gold (Au) layer. Enhancement of the electron relay by annealing and suppression of undesirable reactions through surface modification allow pure water (pH 6.8) splitting with a solar-to-hydrogen energy conversion efficiency of 1.1% and an apparent quantum yield of over 30% at 419 nm. The photocatalyst sheet design enables efficient and scalable water splitting using particulate semiconductors. C1 [Wang, Qian; Hisatomi, Takashi; Jia, Qingxin; Zhong, Miao; Wang, Chizhong; Pan, Zhenhua; Yamada, Taro; Domen, Kazunari] Univ Tokyo, Sch Engn, Dept Chem Syst Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan. [Wang, Qian; Hisatomi, Takashi; Jia, Qingxin; Tokudome, Hiromasa; Zhong, Miao; Yamada, Taro; Domen, Kazunari] Japan Technol Res Assoc Artificial Photosynthet C, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778589, Japan. [Tokudome, Hiromasa] TOTO Ltd, Res Inst, 2-8-1 Honson, Chigasaki, Kanagawa 2538577, Japan. [Takata, Tsuyoshi] NIMS, Global Res Ctr Environm & Energy Based Nanomat Sc, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan. [Nakabayashi, Mamiko; Shibata, Naoya] Univ Tokyo, Inst Engn Innovat, Bunkyo Ku, 2-11-16 Yayoi, Tokyo 1138656, Japan. [Li, Yanbo; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Kudo, Akihiko] Tokyo Univ Sci, Dept Appl Chem, Shinjuku Ku, 1-3 Kagurazaka, Tokyo 1628601, Japan. RP Domen, K (reprint author), Univ Tokyo, Sch Engn, Dept Chem Syst Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan.; Domen, K (reprint author), Japan Technol Res Assoc Artificial Photosynthet C, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778589, Japan. EM domen@chemsys.t.u-tokyo.ac.jp RI Shibata, Naoya/E-5327-2013; Li, Yanbo/A-3461-2009; TAKATA, Tsuyoshi/H-2610-2011 OI Li, Yanbo/0000-0002-3017-762X; FU Artificial Photosynthesis Project of the New Energy and Industrial Technology Development Organization (NEDO); A3 Foresight Program of Japan Society for the Promotion of Science (JSPS); Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan; Development of Environmental Technology using Nanotechnology from Ministry of Education, Culture, Sports, Science and Technology (MEXT); Office of Science of the US Department of Energy [DE-SC0004993]; [23000009]; [15H05494] FX This work was financially supported by the Artificial Photosynthesis Project of the New Energy and Industrial Technology Development Organization (NEDO), by Grants-in-Aids for Specially Promoted Research (No. 23000009) and for Young Scientists (A) (No. 15H05494), and the A3 Foresight Program of Japan Society for the Promotion of Science (JSPS). A part of this work was conducted at Research Hub for Advanced Nano Characterization, The University of Tokyo, with the support of the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. T.T. performed work at GREEN, NIMS supported through the Development of Environmental Technology using Nanotechnology from the Ministry of Education, Culture, Sports, Science and Technology (MEXT). I.D.S. and Y.L. performed work at the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the US Department of Energy under Award Number DE-SC0004993. NR 30 TC 47 Z9 47 U1 173 U2 342 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD JUN PY 2016 VL 15 IS 6 BP 611 EP + DI 10.1038/NMAT4589 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DM7HD UT WOS:000376528000011 PM 26950596 ER PT J AU Achkar, AJ He, F Sutarto, R McMahon, C Zwiebler, M Hucker, M Gu, GD Liang, RX Bonn, DA Hardy, WN Geck, J Hawthorn, DG AF Achkar, A. J. He, F. Sutarto, R. McMahon, Christopher Zwiebler, M. Hucker, M. Gu, G. D. Liang, Ruixing Bonn, D. A. Hardy, W. N. Geck, J. Hawthorn, D. G. TI Orbital symmetry of charge-density-wave order in La1.875Ba0.125CuO4 and YBa2Cu3O6.67 SO NATURE MATERIALS LA English DT Article ID CUPRATE SUPERCONDUCTORS; STRIPE ORDER; LA2-XSRXCUO4; TEMPERATURE; TRANSITIONS; BREAKING; DRIVEN AB Recent theories of charge-density-wave (CDW) order in high-temperature superconductors have predicted a primarily d CDW orbital symmetry. Here, we report on the orbital symmetry of CDW order in the canonical cuprate superconductors La1.875Ba0.125CuO4 (LBCO) and YBa2Cu3O6.67 (YBCO), using resonant soft X-ray scattering and a model mapped to the CDW orbital symmetry. From measurements sensitive to the O sublattice, we conclude that LBCO has predominantly s' CDW orbital symmetry, in contrast to the d orbital symmetry recently reported in other cuprates. Furthermore, we show for YBCO that the CDW orbital symmetry differs along the a and b crystal axes and that these both differ from LBCO. This work highlights CDW orbital symmetry as an additional key property that distinguishes the different cuprate families. We discuss how the CDW symmetry may be related to the '1/8-anomaly' and to static spin ordering. C1 [Achkar, A. J.; McMahon, Christopher; Hawthorn, D. G.] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. [He, F.; Sutarto, R.] Canadian Light Source, Saskatoon, SK S7N 2V3, Canada. [Zwiebler, M.] Leibniz Inst Solid State & Mat Res IFW Dresden, Helmholtzstr 20, D-01069 Dresden, Germany. [Hucker, M.; Gu, G. D.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Liang, Ruixing; Bonn, D. A.; Hardy, W. N.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Liang, Ruixing; Bonn, D. A.; Hardy, W. N.; Hawthorn, D. G.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. [Geck, J.] Paris Lodron Univ Salzburg, Chem & Phys Mat, Hellbrunner Str 34, A-5020 Salzburg, Austria. RP Hawthorn, DG (reprint author), Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada.; Hawthorn, DG (reprint author), Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. EM dhawthor@uwaterloo.ca RI Hawthorn, David/I-6491-2012; OI Hawthorn, David/0000-0002-7002-0416; He, Feizhou/0000-0002-3125-1406 FU Canada Foundation for Innovation (CFI); Canadian Institute for Advanced Research; Natural Sciences and Engineering Research Council of Canada (NSERC); CFI; NSERC; National Research Council Canada; Canadian Institutes of Health Research; Government of Saskatchewan; Western Economic Diversification Canada; University of Saskatchewan; German Science Foundation (DFG) [GE1647/2-1]; D-A-CH programme [GE 1647/3-1]; Office of Basic Energy Sciences, Division of Materials Science and Engineering, US Department of Energy [DE-AC02-98CH10886] FX The authors acknowledge insightful discussions with S. Sachdev, J. C. Davis, W. A. Atkinson, G. A. Sawatzky, R. Comin and A. Damascelli. This work was supported by the Canada Foundation for Innovation (CFI), the Canadian Institute for Advanced Research and the Natural Sciences and Engineering Research Council of Canada (NSERC). Research described in this paper was performed at the Canadian Light Source, which is funded by the CFI, the NSERC, the National Research Council Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. J.G. and M.Z. were supported by the German Science Foundation (DFG) through the Emmy-Noether (GE1647/2-1) and the D-A-CH programme (GE 1647/3-1). The work at Brookhaven National Labs was supported by the Office of Basic Energy Sciences, Division of Materials Science and Engineering, US Department of Energy, under Contract No. DE-AC02-98CH10886. NR 48 TC 6 Z9 6 U1 9 U2 30 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD JUN PY 2016 VL 15 IS 6 BP 616 EP + DI 10.1038/NMAT4568 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DM7HD UT WOS:000376528000012 PM 26878313 ER PT J AU Tian, Y Zhang, YG Wang, T Xin, HLL Li, HL Gang, O AF Tian, Ye Zhang, Yugang Wang, Tong Xin, Huolin L. Li, Huilin Gang, Oleg TI Lattice engineering through nanoparticle-DNA frameworks SO NATURE MATERIALS LA English DT Article ID BUILDING-BLOCKS; COLLOIDAL CRYSTALS; COMPLEX STRUCTURES; OPTICAL-RESPONSE; SUPERLATTICES; CRYSTALLIZATION; SHAPES; TRANSFORMATIONS; PARTICLES; SYSTEMS AB Advances in self-assembly over the past decade have demonstrated that nano-and microscale particles can be organized into a large diversity of ordered three-dimensional (3D) lattices. However, the ability to generate different desired lattice types from the same set of particles remains challenging. Here, we show that nanoparticles can be assembled into crystalline and open 3D frameworks by connecting them through designed DNA-based polyhedral frames. The geometrical shapes of the frames, combined with the DNA-assisted binding properties of their vertices, facilitate the well-defined topological connections between particles in accordance with frame geometry. With this strategy, different crystallographic lattices using the same particles can be assembled by introduction of the corresponding DNA polyhedral frames. This approach should facilitate the rational assembly of nanoscale lattices through the design of the unit cell. C1 [Tian, Ye; Zhang, Yugang; Xin, Huolin L.; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Wang, Tong; Li, Huilin] Brookhaven Natl Lab, Biosci Dept, Upton, NY 11973 USA. [Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ogang@bnl.gov FU US Department of Energy, Office of Basic Energy Sciences [DE-SC0012704]; National Institute of Health [AG029979] FX We thank W. Shih and Y. Ke for help with DNA octahedra design and useful discussions. We thank L. Bai for help with the cryo-STEM sample preparations. We thank D. Chen for assistance with schematic drawing. Research carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-SC0012704. H.L. and T.W. were supported by a National Institute of Health R01 grant (AG029979). NR 50 TC 10 Z9 10 U1 37 U2 89 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD JUN PY 2016 VL 15 IS 6 BP 654 EP + DI 10.1038/NMAT4571 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DM7HD UT WOS:000376528000018 PM 26901516 ER PT J AU Otte, M Assmus, D Biedermann, C Bozhenkov, S Brauer, T Dudek, A Geiger, J Kocsis, G Lazerson, S Pedersen, TS Schauer, F Szepesi, T Standley, B AF Otte, M. Assmus, D. Biedermann, C. Bozhenkov, S. Braeuer, T. Dudek, A. Geiger, J. Kocsis, G. Lazerson, S. Pedersen, T. S. Schauer, F. Szepesi, T. Standley, B. CA W7-X Team TI Setup and initial results from the magnetic flux surface diagnostics at Wendelstein 7-X SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE vacuum magnetic flux surfaces; magnetic confinement; stellarator ID W7-X STELLARATOR; TORSATRON; PHASE; FIELD AB Wendelstein 7-X is an optimized stellarator with superconducting magnetic field coils that just started plasma operation at the Max-Planck-Institut fur Plasmaphysik (IPP) Greifswald. Utilizing the electron beam technique the first vacuum flux surface measurements were performed during the commissioning of the magnet system. For the magnetic configurations investigated so far the existence of closed and nested flux surfaces has been validated. All features of the configuration designed for the initial plasma operation phase, including a predicted island chain, were confirmed. No evidence on significant magnetic field errors was found. Furthermore, the effect of the elastic deformation of the non-planar coils was confirmed by the measurements. C1 [Otte, M.; Assmus, D.; Biedermann, C.; Bozhenkov, S.; Braeuer, T.; Dudek, A.; Geiger, J.; Pedersen, T. S.; Schauer, F.; Standley, B.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Kocsis, G.; Szepesi, T.] RMI, Wigner RCP, Konkoly Thege 29-33, H-1121 Budapest, Hungary. [Lazerson, S.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Otte, M (reprint author), Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. EM matthias.otte@ipp.mpg.de RI Lazerson, Samuel/E-4816-2014 OI Lazerson, Samuel/0000-0001-8002-0121 FU Euratom research and training programme [633053] FX 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. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 29 TC 5 Z9 6 U1 6 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD JUN PY 2016 VL 58 IS 6 SI SI AR 064003 DI 10.1088/0741-3335/58/6/064003 PG 8 WC Physics, Fluids & Plasmas SC Physics GA DM3VU UT WOS:000376275600003 ER PT J AU Pracheil, BM DeRolph, CR Schramm, MP Bevelhimer, MS AF Pracheil, Brenda M. DeRolph, C. R. Schramm, M. P. Bevelhimer, M. S. TI A fish-eye view of riverine hydropower systems: the current understanding of the biological response to turbine passage SO REVIEWS IN FISH BIOLOGY AND FISHERIES LA English DT Review DE Turbine mortality; Barotrauma; Hydropower; River; Fish; Fish passage ID JUVENILE SALMON; WHITE STURGEON; BAROTRAUMA; INJURY; WATER; MORTALITY; SURVIVAL; SENSOR; DAMS; FLOW AB One-way connectivity maintained by fish passing through hydropower turbines in fragmented rivers can be important to population dynamics, but can also introduce a new and significant source of mortality. Sources of mortality during turbine passage can come from several sources including blade strike, shear forces, cavitation, or pressure decreases and parsing the contributions of these individual forces is important for advancing and deploying turbines that minimize these impacts to fishes. We used a national hydropower database and conducted a systematic review of the literature to accomplish three goals: (1) report on the spatial distribution of turbine types and generation capacities in the USA, (2) determine fish mortality rates among turbine types and fish species and (3) examine relationships between physical forces similar to those encountered during fish turbine passage and fish injury and mortality. We found that while Francis turbines generate 56 % of all US hydropower and have the highest associated fish mortality of any turbine type, these turbines are proportionally understudied compared to less-common and less injury-associated Kaplan turbines, particularly in the Pacific Northwest. While juvenile salmonid species in actual or simulated Kaplan turbine conditions were the most commonly studied, the highest mortality rates were reported from percid fishes passing through Francis turbines. Future studies should focus on understanding which species are most at-risk to turbine passage injury and mortality and, subsequently, increasing the diversity of taxonomy and turbine types in evaluations of turbine injury and mortality. C1 [Pracheil, Brenda M.; DeRolph, C. R.; Schramm, M. P.; Bevelhimer, M. S.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. RP Pracheil, BM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM pracheilbm@ornl.gov OI Pracheil, Brenda/0000-0001-9073-6254; Schramm, Michael/0000-0003-1876-6592 FU US Department of Energy (DOE) Energy Efficiency and Renewable Energy Office, Wind and Water Power Technologies Program through Oak Ridge National Laboratory [DE-AC05-00OR22725] FX We thank Alison Colotelo and Ryan McManamay for comments on this manuscript. This study was funded by the US Department of Energy (DOE) Energy Efficiency and Renewable Energy Office, Wind and Water Power Technologies Program through Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC, for the DOE under contract DE-AC05-00OR22725. Opinions expressed are those of the authors and do not reflect those of their employers. NR 29 TC 0 Z9 0 U1 15 U2 28 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0960-3166 EI 1573-5184 J9 REV FISH BIOL FISHER JI Rev. Fish. Biol. Fish. PD JUN PY 2016 VL 26 IS 2 BP 153 EP 167 DI 10.1007/s11160-015-9416-8 PG 15 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA DM3UW UT WOS:000376273200002 ER PT J AU Kasen, D AF Kasen, Daniel TI STELLAR FIREWORKS SO SCIENTIFIC AMERICAN LA English DT Article AB ROUGHLY EVERY SECOND, SOMEWHERE IN our observable universe, another sun is destroyed in a stellar catastrophe-when a star pulsates, collides, collapses to a black hole or explodes as a supernova. This dynamic side of the universe, lost in the apparent calm of the night sky, has lately come to the forefront of astronomical research. For almost a century scientists have tried to trace what has happened over billions of years of cosmic evolution, but it is only recently that we have begun to parse celestial events on timescales of days and hours and so witness the volatile lives and deaths of stars. C1 [Kasen, Daniel] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Kasen, Daniel] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kasen, D (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.; Kasen, D (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 3 U2 3 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0036-8733 J9 SCI AM JI Sci.Am. PD JUN PY 2016 VL 314 IS 6 BP 36 EP 43 DI 10.1038/scientificamerican0616-36 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DM2RD UT WOS:000376193600027 PM 27196840 ER PT J AU Ciovati, G Dhakal, P Myneni, GR AF Ciovati, Gianluigi Dhakal, Pashupati Myneni, Ganapati R. TI Superconducting radio-frequency cavities made from medium and low-purity niobium ingots SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE niobium; superconducting cavities; radio-frequency devices ID RF AB Superconducting radio-frequency cavities made of ingot niobium with residual resistivity ratio (RRR) greater than 250 have proven to have similar or better performance than fine-grain Nb cavities of the same purity, after standard processing. The high purity requirement contributes to the high cost of the material. As superconducting accelerators operating in continuous-wave typically require cavities to operate at moderate accelerating gradients, using lower purity material could be advantageous not only to reduce cost but also to achieve higher Q(0)-values. In this contribution we present the results from cryogenic RF tests of 1.3-1.5 GHz single-cell cavities made of ingot Nb of medium (RRR = 100-150) and low (RRR = 60) purity from different suppliers. Cavities made of medium-purity ingots routinely achieved peak surface magnetic field values greater than 70 mT with an average Q(0)-value of 2 x 10(10) at 2 K after standard processing treatments. The performances of cavities made of low-purity ingots were affected by significant pitting of the surface after chemical etching. C1 [Ciovati, Gianluigi; Dhakal, Pashupati; Myneni, Ganapati R.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Ciovati, G (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM gciovati@jlab.org FU US DOE [DE-AC05-06OR23177] FX This manuscript has been authored by Jefferson Science Associates, LLC under US DOE Contract No. DE-AC05-06OR23177. Some of this work was carried out as part of CRADA JSA 2004S002 between CBMM and Jefferson Lab under US DOE Contract No. DE-AC05-06OR23177. The US Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for US Government purposes. NR 42 TC 2 Z9 2 U1 2 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD JUN PY 2016 VL 29 IS 6 AR 064002 DI 10.1088/0953-2048/29/6/064002 PG 13 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DM3TG UT WOS:000376268900007 ER PT J AU Richardson, CJK Siwak, NP Hackley, J Keane, ZK Robinson, JE Arey, B Arslan, I Palmer, BS AF Richardson, C. J. K. Siwak, N. P. Hackley, J. Keane, Z. K. Robinson, J. E. Arey, B. Arslan, I. Palmer, B. S. TI Fabrication artifacts and parallel loss channels in metamorphic epitaxial aluminum superconducting resonators SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE aluminum; superconductor; resonator; loss; residue ID MOLECULAR-BEAM EPITAXY; INTERFACE; SYSTEMS AB Fabrication of coplanar waveguide resonators with internal quality factors near 10(6) remains challenging. Here, high-purity superconductors are implemented through metamorphic epitaxial aluminum that is grown via molecular beam epitaxy on silicon and sapphire substrates. X-ray diffraction and scanning transmission electron microscopy indicate an abrupt highly ordered interface that results in crystal relaxation within a few monolayers of the substrate interface and no measurable interfacial contamination. Quarter-wave coplanar waveguide resonators are fabricated using optical lithography and measured at temperatures below 100 mK. Post measurement characterization with charge contrast imaging in a scanning electron microscope identifies processing artifacts at the waveguide sidewalls, on the exposed substrate area and on the exposed aluminum surface. Of primary importance are processing induced corrosion defects on aluminum sidewalls, nanoparticle contamination, and photoresist residue that is difficult to remove without affecting the superconductor material. Likely correlations between these artifacts and the measured quality factor are discussed in context of device to device variations in resonator performance. C1 [Richardson, C. J. K.; Siwak, N. P.; Hackley, J.; Keane, Z. K.; Robinson, J. E.; Palmer, B. S.] Univ Maryland, Lab Phys Sci, 8050 Greenmead Dr, College Pk, MD 20740 USA. [Arey, B.; Arslan, I.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Palmer, B. S.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RP Richardson, CJK (reprint author), Univ Maryland, Lab Phys Sci, 8050 Greenmead Dr, College Pk, MD 20740 USA. EM richardson@lps.umd.edu FU US Department of Energy [DE-AC0576RL01830] FX We gratefully acknowledge the resonator design provided by Dannielle Braje and Will Olver of MIT Lincoln Laboratory. The scanning transmission electron microscopy was performed at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US Department of Energy, under contract DE-AC0576RL01830. NR 44 TC 2 Z9 2 U1 1 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD JUN PY 2016 VL 29 IS 6 AR 064003 DI 10.1088/0953-2048/29/6/064003 PG 11 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DM3TG UT WOS:000376268900008 ER PT J AU Wang, X Dietderich, DR Godeke, A Gourlay, SA Marchevsky, M Prestemon, SO Sabbi, GL AF Wang, X. Dietderich, D. R. Godeke, A. Gourlay, S. A. Marchevsky, M. Prestemon, S. O. Sabbi, G. L. TI Performance correlation between YBa2Cu3O7-delta coils and short samples for coil technology development SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE YBCO; coil technology; self field; critical current ID MAGNETIZATION; FIELD; TAPES AB A robust fabrication technology is critical to achieve the high performance in YBa2Cu3O7-delta (YBCO) coils as the critical current of the brittle YBCO layer is subject to the strain-induced degradation during coil fabrication. The expected current-carrying capability of the magnet and its temperature dependence are two key inputs to the coil technology development. However, the expected magnet performance is not straightforward to determine because the short-sample critical current depends on both the amplitude and orientation of the applied magnetic field with respect to the broad surface of the tape-form conductor. In this paper, we present an approach to calculate the self-field performance limit for YBCO racetrack coils at 77 and 4.2 K. Critical current of short YBCO samples was measured as a function of the applied field perpendicular to the conductor surface from 0 to 15 T. This field direction limited the conductor critical current. Two double-layer racetrack coils, one with three turns and the other with 10 turns, were wound and tested at 77 and 4.2 K. The test coils reached at least 80% of the expected critical current. The ratio between the coil critical currents at 77 and 4.2 K agreed well with the calculation. We conclude that the presented approach can determine the performance limit in YBCO racetrack coils based on the short-sample critical current and provide a useful guideline for assessing the coil performance and fabrication technology. The correlation of the coil critical current between 77 K and 4.2 K was also observed, allowing the 77 K test to be a cost-effective tool for the development of coil technology. C1 [Wang, X.; Dietderich, D. R.; Godeke, A.; Gourlay, S. A.; Marchevsky, M.; Prestemon, S. O.; Sabbi, G. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. [Godeke, A.] Florida State Univ, Natl High Magnet Field Lab, 1800 East Paul Dirac Dr, Tallahassee, FL 32310 USA. RP Wang, X (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM XRWang@lbl.gov FU US Department of Energy [DE-AC02-05CH11231] FX We appreciate the indispensable support from D W Cheng for designing the pole island; P Wong for machining samples; P Bish, H Higley, S King, N Liggins, and J Swanson for winding coils and testing short samples and coils; T Lipton for arranging technical resources; M Mentink and C Kozy for instrumentation. This work was supported by the Director, Office of Science, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 42 TC 0 Z9 0 U1 2 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD JUN PY 2016 VL 29 IS 6 AR 065007 DI 10.1088/0953-2048/29/6/065007 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DM3TG UT WOS:000376268900016 ER PT J AU Sariyuce, AE Gedik, B Jacques-Silva, G Wu, KL Catalyurek, UV AF Sariyuce, Ahmet Erdem Gedik, Bugra Jacques-Silva, Gabriela Wu, Kun-Lung Catalyurek, Umit V. TI Incremental k-core decomposition: algorithms and evaluation SO VLDB JOURNAL LA English DT Article DE k-Core; Streaming graph algorithms; Dense subgraph discovery; Incremental graph algorithms ID NETWORKS; GRAPHS AB A k-core of a graph is a maximal connected subgraph in which every vertex is connected to at least k vertices in the subgraph. k-core decomposition is often used in large-scale network analysis, such as community detection, protein function prediction, visualization, and solving NP-hard problems on real networks efficiently, like maximal clique finding. In many real-world applications, networks change over time. As a result, it is essential to develop efficient incremental algorithms for dynamic graph data. In this paper, we propose a suite of incremental k-core decomposition algorithms for dynamic graph data. These algorithms locate a small subgraph that is guaranteed to contain the list of vertices whose maximum k-core values have changed and efficiently process this subgraph to update the k-core decomposition. We present incremental algorithms for both insertion and deletion operations, and propose auxiliary vertex state maintenance techniques that can further accelerate these operations. Our results show a significant reduction in runtime compared to non-incremental alternatives. We illustrate the efficiency of our algorithms on different types of real and synthetic graphs, at varying scales. For a graph of 16 million vertices, we observe relative throughputs reaching a million times, relative to the non-incremental algorithms. C1 [Sariyuce, Ahmet Erdem] Sandia Natl Labs, Livermore, CA USA. [Gedik, Bugra] Bilkent Univ, Ankara, Turkey. [Jacques-Silva, Gabriela; Wu, Kun-Lung] IBM Corp, Thomas J Watson Res Ctr, Yorktown Hts, NY USA. [Catalyurek, Umit V.] Ohio State Univ, Columbus, OH 43210 USA. RP Sariyuce, AE (reprint author), Sandia Natl Labs, Livermore, CA USA. EM asariyu@sandia.gov; bgedik@cs.bilkent.edu.tr; g.jacques@us.ibm.com; klwu@us.ibm.com; umit@bmi.osu.edu FU US Defense Advanced Research Projects Agency (DARPA) under Social Media in Strategic Communication (SMISC) program [W911NF-12-C-0028]; Scientific and Technological Research Council of Turkey (TUBITAK) under Grant EEEAG [112E271] FX This work is partially sponsored by the US Defense Advanced Research Projects Agency (DARPA) under the Social Media in Strategic Communication (SMISC) program (Agreement No. W911NF-12-C-0028). The views and conclusions contained in this document are those of the author(s) and should not be interpreted as representing the official policies, either expressed or implied, of DARPA or the US Government. This work is also partially sponsored by The Scientific and Technological Research Council of Turkey (TUBITAK) under Grant EEEAG #112E271. NR 33 TC 0 Z9 0 U1 4 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1066-8888 EI 0949-877X J9 VLDB J JI VLDB J. PD JUN PY 2016 VL 25 IS 3 BP 425 EP 447 DI 10.1007/s00778-016-0423-8 PG 23 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems SC Computer Science GA DM3RH UT WOS:000376263400007 ER PT J AU Krueger, WS Hilborn, ED Dufour, AP Sams, EA Wade, TJ AF Krueger, W. S. Hilborn, E. D. Dufour, A. P. Sams, E. A. Wade, T. J. TI Self-Reported Acute Health Effects and Exposure to Companion Animals SO ZOONOSES AND PUBLIC HEALTH LA English DT Article DE Pets; acute disease; signs and symptoms; zoonotic diseases; allergy ID RECREATIONAL WATER-QUALITY; RAPIDLY MEASURED INDICATORS; PUBLIC-HEALTH; PET OWNERSHIP; UNITED-STATES; ILLNESS; INFECTIONS; CONTACT; MANAGEMENT; ALLERGIES AB To understand the etiological burden of disease associated with acute health symptoms [e.g. gastrointestinal (GI), respiratory, dermatological], it is important to understand how common exposures influence these symptoms. Exposures to familiar and unfamiliar animals can result in a variety of health symptoms related to infection, irritation and allergy; however, few studies have examined this association in a large-scale cohort setting. Cross-sectional data collected from 50507 participants in the United States enrolled from 2003 to 2009 were used to examine associations between animal contact and acute health symptoms during a 10-12day period. Fixed-effects multivariable logistic regression estimated adjusted odds ratios (AORs) and 95% confident intervals (CI) for associations between animal exposures and outcomes of GI illness, respiratory illness and skin/eye symptoms. Two-thirds of the study population (63.2%) reported direct contact with animals, of which 7.7% had contact with at least one unfamiliar animal. Participants exposed to unfamiliar animals had significantly higher odds of self-reporting all three acute health symptoms, when compared to non-animal-exposed participants (GI: AOR=1.4, CI=1.2-1.7; respiratory: AOR=1.5, CI=1.2-1.8; and skin/eye: AOR=1.9, CI=1.6-2.3), as well as when compared to participants who only had contact with familiar animals. Specific contact with dogs, cats or pet birds was also significantly associated with at least one acute health symptom; AORs ranged from 1.1 to 1.5, when compared to participants not exposed to each animal. These results indicate that contact with animals, especially unfamiliar animals, was significantly associated with GI, respiratory and skin/eye symptoms. Such associations could be attributable to zoonotic infections and allergic reactions. Etiological models for acute health symptoms should consider contact with companion animals, particularly exposure to unfamiliar animals. Prevention of pet-associated zoonotic diseases includes commonsense measures such as hand-washing, but are often overlooked by pet owners and non-pet owners alike. C1 [Krueger, W. S.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Krueger, W. S.] RTI Hlth Solut, Res Triangle Pk, NC USA. [Hilborn, E. D.; Sams, E. A.; Wade, T. J.] US EPA, Off Res & Dev, Natl Hlth Effects & Environm Effects Res Lab, Chapel Hill, NC 27514 USA. [Dufour, A. P.] US EPA, Off Res & Dev, Natl Exposure Res Lab, Cincinnati, OH USA. RP Wade, TJ (reprint author), US EPA, 104 Mason Farm Rd, Chapel Hill, NC 27514 USA. EM wade.tim@epa.gov FU Internship/Research Participation Program at the Office of Research and Development, U.S. EPA FX The manuscript has been subjected to the U.S. Environmental Protection Agency's peer review and has been approved for publication. We thank Dr. Donna Hill of the U.S. EPA for her review and comments. The views expressed in this paper are those of the authors and do not necessarily reflect the views or policies of the U.S. EPA. This project was supported in part by an appointment to the Internship/Research Participation Program at the Office of Research and Development, U.S. EPA, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. NR 37 TC 0 Z9 0 U1 5 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1863-1959 EI 1863-2378 J9 ZOONOSES PUBLIC HLTH JI Zoonoses Public Health PD JUN PY 2016 VL 63 IS 4 BP 311 EP 319 DI 10.1111/zph.12233 PG 9 WC Public, Environmental & Occupational Health; Infectious Diseases; Veterinary Sciences SC Public, Environmental & Occupational Health; Infectious Diseases; Veterinary Sciences GA DM3TJ UT WOS:000376269300007 PM 26514953 ER PT J AU Wu, Y Ciston, J Kraemer, S Bailey, N Odette, GR Hosemann, P AF Wu, Yuan Ciston, Jim Kraemer, Stephan Bailey, Nathan Odette, G. Robert Hosemann, Peter TI The crystal structure, orientation relationships and interfaces of the nanoscale oxides in nanostructured ferritic alloys SO ACTA MATERIALIA LA English DT Article DE ODS steels; Nanoscale oxides; High-resolution electron microscopy; Scanning transmission electron microscopy; Nanostructured ferritic alloys ID DISPERSION-STRENGTHENED MATERIALS; ATOM-PROBE TOMOGRAPHY; NANOCLUSTER FORMATION; ION IRRADIATION; FRICTION STIR; STEEL; PARTICLES; MA957; PRECIPITATION; STABILITY AB The capability of nanostructured ferritic alloys (NFAs) to manage high levels of transmutation product helium will help resolve one of the grand challenges to transforming the promise of C-free fusion energy into a reality. NFAs are dispersion strengthened by an ultrahigh density of Y-Ti-O nano-oxides (NOs), which result in both high strength and temperature limits, as well as unique irradiation tolerance. Here, aberration-corrected high-resolution transmission electron microscopy was used to characterize the NOs in four NFA conditions, including following severe deformation and extreme neutron radiation exposure. Fast Fourier Transform analysis of focal series images revealed the NO crystal structure, including the smallest at < 2 nm in diameter, to be Y2Ti2O7 pyrochlore in all cases, consistent with both exit wave analysis and scanning transmission Z-contrast imaging of the atomic columns in a larger feature. The faceted NOs exhibit a quasi-epitaxial orientation relationship with the ferrite matrix: [110](YTO)parallel to[100](Fe) and [001](YTO)parallel to[010](Fe), forming a 5 x 7 near coincidence site interface. The NOs also exhibit size dependent strains in both the oxide and matrix ferrite phases. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Wu, Yuan; Kraemer, Stephan; Odette, G. Robert] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Ciston, Jim] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Bailey, Nathan; Hosemann, Peter] Univ Calif Berkeley, Dept Nucl Engn, 4155 Etcheverry Hall,MC 1730, Berkeley, CA 94720 USA. RP Wu, Y (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA.; Ciston, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yw@engineering.ucsb.edu OI Hosemann, Peter/0000-0003-2281-2213 FU Department of Energy Office of Fusion Energy Sciences [DE-FG03-94ER54275]; Office of Nuclear Energy [DE-FC07-07ID14825]; Materials Research Science and Engineering Center Program of the National Science Foundation [DMR05-20415]; Office of Science, Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX Research at UCSB was supported by the Department of Energy Office of Fusion Energy Sciences (Grant No. DE-FG03-94ER54275) and the Office of Nuclear Energy (Grant No. DE-FC07-07ID14825). Most of the specimen preparation and some of the TEM measurements were carried out in the UCSB Materials Research Laboratory Microstructure and Microanalysis Facility, supported by the Materials Research Science and Engineering Center Program of the National Science Foundation under Award No. DMR05-20415. The authors thank our UCSB colleagues P. Wells for insight on APT issues, Dr. T. Yamamoto for his many general contributions to our research program, T. Stan for helpful discussions of the interfaces, and especially N. Cunningham for adding to the discussion of APT as well as many others in the Odette Group for their assistance in various parts of this research. We also acknowledge helpful discussions regarding XRD with D. Sprouster and L. Ecker at BNL, and D. Morgan L. Barnard at the University of Wisconsin for their outstanding modeling insight and Y. Jiang at the Central South University in China sharing the DFT results shown in Fig. 6. Electron microscopy experiments were performed at the NCEM facility of the Molecular Foundry, which is supported by the Office of Science, Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC02-05CH11231. The authors would like to thank M. Libbee and C. Song for their support on TEM sample preparation and training at the Molecular Foundry. Finally, we acknowledge the assistance of M. Toloczko at PNNL in providing the irradiated MA957 characterized in this study and S. Maloy at LANL and D. Hoelzer at ORNL for their role as UCSB collaborators in developing FCRD NFA-1. NR 52 TC 3 Z9 3 U1 14 U2 59 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 108 EP 115 DI 10.1016/j.actamat.2016.03.031 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100012 ER PT J AU Chen, Y Li, J Yu, KY Wang, H Kirk, MA Li, M Zhang, X AF Chen, Y. Li, J. Yu, K. Y. Wang, H. Kirk, M. A. Li, M. Zhang, X. TI In situ studies on radiation tolerance of nanotwinned Cu SO ACTA MATERIALIA LA English DT Article DE Nanotwins; Radiation damage; In situ; Defect kinetics ID STACKING-FAULT TETRAHEDRA; CENTERED-CUBIC METALS; TWIN BOUNDARIES; GRAIN-BOUNDARIES; MOLECULAR-DYNAMICS; FCC METALS; DEFECT ANNIHILATION; TENSILE PROPERTIES; VOID FORMATION; IRRADIATION AB We investigate the radiation response of nanotwinned Cu by using in situ Kr ion irradiation technique inside a transmission electron microscope. In comparison with coarse grained Cu, nanotwinned Cu exhibits smaller defect size and lower defect density. In situ studies also show that twin boundaries effectively remove a large number of defect clusters. The life time of defect clusters in nanotwinned Cu is very different from that in its coarse grained counterpart. This study provides further evidence on twin boundary enabled radiation tolerance in nanotwinned metals. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Chen, Y.; Li, J.; Wang, H.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Chen, Y.] Los Alamos Natl Lab, MPA CINT, POB 1663, Los Alamos, NM 87545 USA. [Yu, K. Y.] China Univ Petr, Dept Mat Sci & Engn, Beijing 102246, 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. [Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. RP Zhang, X (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. EM zhangx@tamu.edu RI Chen, Youxing/P-5006-2016 OI Chen, Youxing/0000-0003-1111-4495 FU NSF-DMR-Metallic Materials and Nanostructures Program [1304101]; NSF-CMMI [1161978]; DOE-OBES [DE-SC0010482]; China University of Petroleum-Beijing [2462015YQ0602]; Texas A&M University on studying of materials in extreme environments via in situ techniques; DOE Office of Nuclear Energy; U Chicago, Argonne, LLC [DE-AC02-06CH11357] FX We acknowledge financial support by NSF-DMR-Metallic Materials and Nanostructures Program under grant no. 1304101. Y Chen is supported financially by NSF-CMMI 1161978. KY Yu and the work on fabrication of nanotwinned metal were supported by DOE-OBES under grant no. DE-SC0010482. KY Yu also acknowledges financial support from China University of Petroleum-Beijing under grant no. 2462015YQ0602. XZ and HW also acknowledge the seed grants from Texas A&M University on studying of materials in extreme environments via in situ techniques. We also thank Peter M. Baldo and Edward A. Ryan at Argonne National Laboratory for their help during in situ irradiation experiments. The electron microscopy coupled with in situ ion irradiation was accomplished at Argonne National Laboratory at the IVEM-Tandem Facility, a U.S. Department of Energy Facility funded by the DOE Office of Nuclear Energy, operated under Contract No. DE-AC02-06CH11357 by U Chicago, Argonne, LLC. Accesses 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 are also acknowledged. NR 67 TC 5 Z9 5 U1 8 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 148 EP 156 DI 10.1016/j.actamat.2016.03.039 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100016 ER PT J AU Wang, JJ Wang, Y Ihlefeld, JF Hopkins, PE Chen, LQ AF Wang, Jian-Jun Wang, Yi Ihlefeld, Jon F. Hopkins, Patrick E. Chen, Long-Qing TI Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation SO ACTA MATERIALIA LA English DT Article DE Thermal conductivity; Phase-field method; Ferroelectric thin film; BiFeO3; PZT ID THERMOELECTRIC PERFORMANCE; PHONON-SCATTERING; SILICON NANOWIRES; PEROVSKITE FILMS; BULK ALLOYS; SUPERLATTICES; VOLTAGE; STRAIN; WALLS; HETEROSTRUCTURES AB Effective thermal conductivity as a function of domain structure is studied by solving the heat conduction equation using a spectral iterative perturbation algorithm in materials with inhomogeneous thermal conductivity distribution. Using this proposed algorithm, the experimentally measured effective thermal conductivities of domain-engineered {001}(p)-BiFeO3 thin films are quantitatively reproduced. In conjunction with two other testing examples, this proposed algorithm is proven to be an efficient tool for interpreting the relationship between the effective thermal conductivity and micro-/domain-structures. By combining this algorithm with the phase-field model of ferroelectric thin films, the effective thermal conductivity for PbZr1-xTixO3 films under different composition, thickness, strain, and working conditions is predicted. It is shown that the chemical composition, misfit strain, film thickness, film orientation, and a Piezoresponse Force Microscopy tip can be used to engineer the domain structures and tune the effective thermal conductivity. Therefore, we expect our findings will stimulate future theoretical, experimental and engineering efforts on developing devices based on the tunable effective thermal conductivity in ferroelectric nanostructures. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Wang, Jian-Jun; Wang, Yi; Chen, Long-Qing] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Ihlefeld, Jon F.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Hopkins, Patrick E.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. RP Wang, JJ (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM wjj8384@gmail.com FU Laboratory Directed Research and Development Program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Air Force Office of Scientific Research (AFOSR) [FA9550-14-1-0264]; Air Force Office of Scientific Research [FA9550-15-1-0079]; National Science Foundation [OCI-0821527]; National Energy Research Scientific Computing Center - Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded, in-part, by the Laboratory Directed Research and Development Program at Sandia National Laboratories, 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, and partially supported by Air Force Office of Scientific Research (AFOSR) under grant number FA9550-14-1-0264. PEH appreciates support from the Air Force Office of Scientific Research (FA9550-15-1-0079). The computations were performed using the Cyberstar cluster at the Pennsylvania State University, funded by the National Science Foundation through Grant OCI-0821527, and the National Energy Research Scientific Computing Center, funded by the Office of Science of the U.S. Department of Energy through Grant DE-AC02-05CH11231. NR 66 TC 1 Z9 1 U1 17 U2 47 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 220 EP 231 DI 10.1016/j.actamat.2016.03.069 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100024 ER PT J AU Wen, W Borodachenkova, M Tome, CN Vincze, G Rauch, EF Barlat, F Gracio, JJ AF Wen, W. Borodachenkova, M. Tome, C. N. Vincze, G. Rauch, E. F. Barlat, F. Gracio, J. J. TI Mechanical behavior of low carbon steel subjected to strain path changes: Experiments and modeling SO ACTA MATERIALIA LA English DT Article DE Crystallographic dislocation model; Microstructures; Strain path change; Polycrystalline material ID WORK-HARDENING/SOFTENING BEHAVIOR; RANGE INTERNAL-STRESSES; HARDENING BEHAVIOR; IF STEEL; DISLOCATION INTERACTIONS; CRYSTAL PLASTICITY; BCC POLYCRYSTALS; SINGLE-CRYSTALS; PURE MAGNESIUM; SIMPLE SHEAR AB The mechanical response of a low carbon steel under complex strain path changes is analyzed here in terms of dislocation storage and annihilation. The mechanical tests performed are cyclic shear and tensile loading followed by shear at different angles with respect to the tensile axis. The material behavior is captured by a dislocation-based hardening model, which is embedded in the Visco-Plastic Self-Consistent (VPSC) polycrystal framework taking into account the accumulation and annihilation of dislocations, as well as back-stress effects. A new and more sophisticated formulation of dislocation reversibility is proposed. The simulated flow stress responses are in good agreement with the experimental data. The effects of the dislocation-related mechanisms on the hardening response during strain path changes are discussed. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Wen, W.; Borodachenkova, M.; Vincze, G.; Barlat, F.; Gracio, J. J.] Univ Aveiro, Ctr Mech Technol & Automat, Dept Mech Engn, P-3810193 Aveiro, Portugal. [Wen, W.; Tome, C. N.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. [Rauch, E. F.] INPG UJF, CNRS UMR 5266, Sci & Ingn Mat & Proc, BP 46, F-38402 St Martin Dheres, France. [Barlat, F.] Pohang Univ Sci & Technol POSTECH, GIFT, 77 Cheongam Ro, Gyeongbuk 790784, South Korea. RP Borodachenkova, M (reprint author), Univ Aveiro, Ctr Mech Technol & Automat, Dept Mech Engn, P-3810193 Aveiro, Portugal. EM mborodachenkova@ua.pt RI Group, GAME/B-3464-2014; RAUCH, Edgar/C-9852-2011; Vincze, Gabriela/D-2383-2013 OI Vincze, Gabriela/0000-0002-0338-3911 FU U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering [FWP 06SCPE401DOE-BES]; FEDER funds through Operational Program for Competitiveness Factors - COMPETE; National Funds through FCT - Foundation for Science and Technology [PTDC/EME-TME/105688/2008, PTDC/EME-PME/116683/2010, PEST-C/EME/UI0481/2011, PTDC/EMS-TEC/0777/2012, PEST-C/EME/UI0481/2013] FX CT acknowledges support from U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering, Project FWP 06SCPE401DOE-BES. WW, MB, GV, JG and FB acknowledge the financial support of FEDER funds through the Operational Program for Competitiveness Factors - COMPETE and National Funds through the FCT - Foundation for Science and Technology under the projects PTDC/EME-TME/105688/2008, PTDC/EME-PME/116683/2010, PEST-C/EME/UI0481/2011, PTDC/EMS-TEC/0777/2012 and PEST-C/EME/UI0481/2013. NR 48 TC 0 Z9 0 U1 10 U2 21 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 305 EP 314 DI 10.1016/j.actamat.2016.03.075 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100032 ER PT J AU Zhang, YF Bai, XM Yu, JG Tonks, MR Noordhoek, MJ Phillpot, SR AF Zhang, Yongfeng Bai, Xian-Ming Yu, Jianguo Tonks, Michael R. Noordhoek, Mark J. Phillpot, Simon R. TI Homogeneous hydride formation path in alpha-Zr: Molecular dynamics simulations with the charge-optimized many-body potential SO ACTA MATERIALIA LA English DT Article ID ZIRCONIUM HYDRIDE; AB-INITIO; INTERATOMIC POTENTIALS; ALLOYS; PRECIPITATION; HYDROGEN; THERMODYNAMICS; ZIRCALOY-4; SYSTEM AB A path for homogeneous gamma hydride formation in hcp alpha-Zr, from solid solution to the zeta and then the gamma hydride, was demonstrated using molecular static calculations and molecular dynamic simulations with the charge-optimized many-body (COMB) potential. Hydrogen has limited solubility in alpha-Zr. Once the solubility limit is exceeded, the stability of solid solution gives way to that of coherent hydride phases such as the zeta hydride by planar precipitation of hydrogen. At finite temperatures, the zeta hydride goes through a partial hcp-fcc transformation via 1/3 < 1 (1) over bar 00 > slip on the basal plane, and transforms into a mixture of gamma hydride and alpha-Zr. In the zeta hydride, slip on the basal plane is favored thermodynamically with negligible barrier, and is therefore feasible at finite temperatures without mechanical loading. The transformation process involves slips of three equivalent shear partials, in contrast to that proposed in the literature where only a single shear partial was involved. The adoption of multiple slip partials minimizes the macroscopic shape change of embedded hydride clusters and the shear strain accumulation in the matrix, and thus reduces the overall barrier needed for homogeneous gamma hydride formation. This formation path requires finite temperatures for hydrogen diffusion without mechanical loading. Therefore, it should be effective at the cladding operating conditions. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo] Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. [Tonks, Michael R.] Penn State Univ, Dept Mech & Nucl Engn, State Coll, PA 16801 USA. [Noordhoek, Mark J.] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Phillpot, Simon R.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Zhang, YF (reprint author), Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. EM yongfeng.zhang@inl.gov RI Bai, Xianming/E-2376-2017; Yu, Jianguo/C-3424-2013; OI Bai, Xianming/0000-0002-4609-6576; Yu, Jianguo/0000-0001-5604-8132; Phillpot, Simon/0000-0002-7774-6535 FU INL Laboratory Directed Research and Development Program [14-026]; U.S. Department of Energy [DE-AC07-05ID14517] FX The INL authors gratefully acknowledge the support of INL Laboratory Directed Research and Development Program under project # 14-026, "Multiscale modeling on delayed hydride cracking in zirconium: hydrogen transport and hydride nucleation". This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 39 TC 1 Z9 1 U1 4 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 357 EP 365 DI 10.1016/j.actamat.2016.03.079 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100037 ER PT J AU Zhang, F Levine, LE Allen, AJ Campbell, CE Creuziger, AA Kazantseva, N Ilavsky, J AF Zhang, Fan Levine, Lyle E. Allen, Andrew J. Campbell, Carelyn E. Creuziger, Adam A. Kazantseva, Nataliya Ilavsky, Jan TI In situ structural characterization of ageing kinetics in aluminum alloy 2024 across angstrom-to-micrometer length scales SO ACTA MATERIALIA LA English DT Article DE Al-Cu-Mg alloys; Precipitates; Kinetics; In situ; Small angle X-ray scattering ID AL-CU-MG; FRICTION STIR WELDS; PRECIPITATION KINETICS; PHASE-TRANSFORMATIONS; ELECTRON-MICROSCOPY; GPB ZONES; PART I; SCATTERING; NUCLEATION; EVOLUTION AB The precipitate structure and precipitation kinetics in an Al-Cu-Mg alloy (AA2024) aged at 190 degrees C, 208 degrees C, and 226 degrees C have been studied using ex situ Transmission Electron Microscopy (TEM) and in situ synchrotron-based, combined ultra-small angle X-ray scattering, small angle X-ray scattering (SAXS), and wide angle X-ray scattering (WAXS) across a length scale from sub-Angstrom to several micrometers. TEM brings information concerning the nature, morphology, and size of the precipitates while SAXS and WAXS provide qualitative and quantitative information concerning the time-dependent size and volume fraction evolution of the precipitates at different stages of the precipitation sequence. Within the experimental time resolution, precipitation at these ageing temperatures involves dissolution of nanometer-sized small clusters and formation of the planar S phase precipitates. Using a three parameter scattering model constructed on the basis of TEM results, we established the temperature dependent kinetics for the cluster-dissolution and S-phase formation processes simultaneously. These two processes are shown to have different kinetic rates, with the cluster-dissolution rate approximately double the S-phase formation rate. We identified a dissolution activation energy at (149.5 +/- 14.6) kJ mol(-1), which translates to (1.55 +/- 0.15) eV/atom, as well as an activation energy for the formation of S precipitates at (129.2 +/- 5.4) kJ mol(-1), i.e. (1.33 +/- 0.06) eV/atom. Importantly, the SAXS/WAXS results show the absence of an intermediate Guinier-Preston Bagaryatsky 2 (GPB2)/S '' phase in the samples under the experimental ageing conditions. These results are further validated by precipitation simulations that are based on Langer-Schwartz theory and a Kampmann-Wagner numerical method. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Zhang, Fan; Levine, Lyle E.; Allen, Andrew J.; Campbell, Carelyn E.; Creuziger, Adam A.; Kazantseva, Nataliya] NIST, Mat Measurement Lab, 100 Bur Dr, Gaithersburg, MD 20899 USA. [Kazantseva, Nataliya] Acad Sci, Inst Met Phys, Urals Branch, Ekaterinburg 620219, Russia. [Ilavsky, Jan] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Zhang, F (reprint author), NIST, Mat Measurement Lab, 100 Bur Dr, Gaithersburg, MD 20899 USA. EM fan.zhang@nist.gov RI Kazantseva, Nataliya/I-7647-2013; Ilavsky, Jan/D-4521-2013 OI Kazantseva, Nataliya/0000-0002-4143-1064; Ilavsky, Jan/0000-0003-1982-8900 FU Division of Chemistry (CHE), National Science Foundation [NSF/CHE-1346572]; Division of Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; U.S. DOE [DE-AC02-06CH11357] FX ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 82 TC 1 Z9 1 U1 9 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 385 EP 398 DI 10.1016/j.actamat.2016.03.058 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100040 ER PT J AU Chen, WY Miao, YB Gan, J Okuniewski, MA Maloy, SA Stubbins, JF AF Chen, Wei-Ying Miao, Yinbin Gan, Jian Okuniewski, Maria A. Maloy, Stuart A. Stubbins, James F. TI Neutron irradiation effects in Fe and Fe-Cr at 300 degrees C SO ACTA MATERIALIA LA English DT Article DE Fe-Cr; Neutron; Irradiation; Dislocation loop; Void; Hardness; Orowan ID SIMPLE FERRITIC ALLOYS; DISLOCATION LOOPS; MODEL ALLOYS; MARTENSITIC STEELS; MICROSTRUCTURAL EXAMINATION; MECHANICAL-PROPERTIES; TENSILE PROPERTIES; ALPHA-IRON; PURE IRON; DAMAGE AB Fe and Fe-Cr (Cr = 10-16 at.%) specimens were neutron -irradiated at 300 degrees C to 0.01, 0.1 and 1 dpa. The TEM observations indicated that the Cr significantly reduced the mobility of dislocation loops and suppressed vacancy clustering, leading to distinct damage microstructures between Fe and Fe-Cr. Irradiation-induced dislocation loops in Fe were heterogeneously observed in the vicinity of grown-in dislocations, whereas the loop distribution observed in Fe-Cr is much more uniform. Voids were observed in the irradiated Fe samples, but not in irradiated Fe-Cr samples. Increasing Cr content in Fe-Cr results in a higher density, and a smaller size of irradiation -induced dislocation loops. Orowan mechanism was used to correlate the observed microstructure and hardening, which showed that the hardening in Fe-Cr can be attributed to the formation of dislocation loops and alpha' precipitates. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 [Chen, Wei-Ying; Miao, Yinbin; Stubbins, James F.] Univ Illinois, Champaign, IL USA. [Chen, Wei-Ying; Miao, Yinbin] Argonne Natl Lab, Argonne, IL 60439 USA. [Gan, Jian] Idaho Natl Lab, Idaho Falls, ID USA. [Okuniewski, Maria A.] Purdue Univ, W Lafayette, IN 47907 USA. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chen, WY (reprint author), Univ Illinois, Champaign, IL USA.; Chen, WY (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM wayneisphil@gmail.com RI Maloy, Stuart/A-8672-2009; OI Maloy, Stuart/0000-0001-8037-1319; Chen, Wei-Ying/0000-0002-6583-4204 FU ATR NSUF [08-092]; NEUP [485363-973000-191100] FX This study was supported by ATR NSUF under identification number 08-092 and by NEUP under grant number 485363-973000-191100. Both funding are titled 'Irradiation Performance of Fe-Cr Base Alloys'. Authors would like to thank Dr. Marquis Kirk, Dr. Zhongwen Yao and Dr. Bai Cui for meaningful discussions and suggestions. Dr. Kun Mo and Dr. Carolyn Tomchik were thanked for initiating the irradiation experiments. NR 50 TC 2 Z9 2 U1 7 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN 1 PY 2016 VL 111 BP 407 EP 416 DI 10.1016/j.actamat.2016.03.060 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DL7HP UT WOS:000375812100042 ER PT J AU Strogen, B Bell, K Breunig, H Zilberman, D AF Strogen, Bret Bell, Kendon Breunig, Hanna Zilberman, David TI Environmental, public health, and safety assessment of fuel pipelines and other freight transportation modes SO APPLIED ENERGY LA English DT Article DE Externalities; Transportation infrastructure; Occupational safety; Life-cycle assessment (LCA); Economic input-output (EIO) analysis; Greenhouse gas emissions ID LIFE-CYCLE ASSESSMENT; GREENHOUSE-GAS EMISSIONS; NATURAL-GAS; UNITED-STATES; POWER-PLANTS; CO-BENEFITS; COSTS; CONSTRUCTION; GENERATION; CARBON AB The construction of pipelines along high-throughput fuel corridors can alleviate demand for rail, barge, and truck transportation. Pipelines have a very different externality profile than other freight transportation modes due to differences in construction, operation, and maintenance requirements; labor, energy, and material input intensity; location and profile of emissions from operations; and frequency and magnitude of environmental and safety incidents. Therefore, public policy makers have a strong justification to influence the economic viability of pipelines. We use data from prior literature and U.S. government statistics to estimate environmental, public health, and safety characterization factors for pipelines and other modes. In 2008, two pipeline companies proposed the construction of an ethanol pipeline from the Midwest to Northeast United States. This proposed project informs our case study of a 2735-km $3.5 billion pipeline (2009 USD), for which we evaluate potential long-term societal impacts including life-cycle costs, greenhouse gas emissions, employment, injuries, fatalities, and public health impacts. Although it may take decades to break even economically, and would result in lower cumulative employment, such a pipeline would likely have fewer safety incidents, pollution emissions, and health damages than the alternative multimodal system in less than ten years; these results stand even if comparing future cleaner ground transport modes to a pipeline that utilizes electricity produced from coal. Monetization of externalities can significantly enhance the value of a pipeline to society. In this study, a pipeline with a construction cost of $1.37 million/km in 2014 USD and a NPV of revenue over 22.2 years of $1.85 million/km would be associated with $0.5-$1.3 million/km in avoided negative externalities the majority of which are expected from avoided air pollution-related deaths ($0.26-$1.0 million/km) and avoided GHG emissions ($0.12-$0.19 million/km). (C) 2016 Elsevier Ltd. All rights reserved. C1 [Strogen, Bret; Bell, Kendon; Zilberman, David] Univ Calif Berkeley, Energy Biosci Inst, 2151 Berkeley Way, Berkeley, CA 94704 USA. [Bell, Kendon; Zilberman, David] Univ Calif Berkeley, Dept Agr & Resource Econ, 207 Giannini Hall, Berkeley, CA 94720 USA. [Breunig, Hanna] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,90-2002B, Berkeley, CA 94720 USA. [Zilberman, David] Univ Calif Berkeley, Giannini Fdn Agr Econ, 248 Giannini Hall, Berkeley, CA 94720 USA. RP Strogen, B (reprint author), Univ Calif Berkeley, Energy Biosci Inst, 2151 Berkeley Way, Berkeley, CA 94704 USA. EM bret@berkeley.edu RI Breunig, Hanna/A-6952-2017 OI Breunig, Hanna/0000-0002-4727-424X FU Energy Biosciences Institute at the University of California, Berkeley; STAR Fellowship by the U.S. Environmental Protection Agency [91766101-0] FX We are grateful to the Energy Biosciences Institute at the University of California, Berkeley for funding this work. This work was also funded under STAR Fellowship Assistance Agreement no. 91766101-0 awarded by the U.S. Environmental Protection Agency. NR 68 TC 1 Z9 1 U1 7 U2 22 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD JUN 1 PY 2016 VL 171 BP 266 EP 276 DI 10.1016/j.apenergy.2016.02.059 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DL3DX UT WOS:000375515500023 ER PT J AU Liang, X Hong, TZ Shen, GQ AF Liang, Xin Hong, Tianzhen Shen, Geoffrey Qiping TI Occupancy data analytics and prediction: A case study SO BUILDING AND ENVIRONMENT LA English DT Article DE Occupancy prediction; Occupant presence; Data mining; Machine learning ID OFFICE BUILDINGS; BEHAVIOR; PATTERNS; ENERGY; CONSUMPTION; SIMULATION AB Occupants are a critical impact factor of building energy consumption. Numerous previous studies emphasized the role of occupants and investigated the interactions between occupants and buildings. However, a fundamental problem, how to learn occupancy patterns and predict occupancy schedule, has not been well addressed due to highly stochastic activities of occupants and insufficient data. This study proposes a data mining based approach for occupancy schedule learning and prediction in office buildings. The proposed approach first recognizes the patterns of occupant presence by cluster analysis, then learns the schedule rules by decision tree, and finally predicts the occupancy schedules based on the inducted rules. A case study was conducted in an office building in Philadelphia, U.S. Based on one-year observed data, the validation results indicate that the proposed approach significantly improves the accuracy of occupancy schedule prediction. The proposed approach only requires simple input data (i.e., the time series data of occupant number entering and exiting a building), which is available in most office buildings. Therefore, this approach is practical to facilitate occupancy schedule prediction, building energy simulation and facility operation. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Liang, Xin; Shen, Geoffrey Qiping] Hong Kong Polytech Univ, Dept Bldg & Real Estate, Hong Kong, Hong Kong, Peoples R China. [Liang, Xin; Hong, Tianzhen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, Berkeley, CA 94720 USA. RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, Berkeley, CA 94720 USA. EM xin.c.liang@connect.polyu.hk; thong@lbl.gov OI Hong, Tianzhen/0000-0003-1886-9137 FU National Natural Science Foundation of China [71271184]; Hong Kong Polytechnic University; U.S. Department of Energy through the U.S.-China joint program of Clean Energy Research Center on Building Energy Efficiency [DE-AC02-05CH11231] FX This research is funded by the National Natural Science Foundation of China (No. 71271184) and the Hong Kong Polytechnic University. It is also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 through the U.S.-China joint program of Clean Energy Research Center on Building Energy Efficiency. Authors appreciated Clinton Andrews of Rutgers University for providing the occupancy data of Building 101. This work is also part of the research activities of IEA EBC Annex 66, definition and simulation of occupant behavior in buildings. NR 38 TC 2 Z9 2 U1 4 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 EI 1873-684X J9 BUILD ENVIRON JI Build. Environ. PD JUN PY 2016 VL 102 BP 179 EP 192 DI 10.1016/j.buildenv.2016.03.027 PG 14 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA DL2XK UT WOS:000375498300015 ER PT J AU Bakshi, A Altantzis, C Bates, RB Ghoniem, AF AF Bakshi, A. Altantzis, C. Bates, R. B. Ghoniem, A. F. TI Multiphase-flow Statistics using 3D Detection and Tracking Algorithm (MS3DATA): Methodology and application to large-scale fluidized beds SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE Multiphase flow; Fluidized bed; Eulerian simulations; Bubble dynamics; 3D statistics; Large-scale detection and tracking ID X-RAY TOMOGRAPHY; DIGITAL IMAGE-ANALYSIS; BUBBLE DIAMETER; CLUSTER PROPERTIES; SOLIDS; MODEL; SIMULATIONS; DYNAMICS; VELOCITY; BEHAVIOR AB Bubble dynamics play a critical role in the hydrodynamics of fluidized beds and significantly affect reactor performance. In this study, MS3DATA (Multiphase-flow Statistics using 3D Detection And Tracking Algorithm) is developed, validated and applied to numerical simulations of large-scale fluidized beds. Using this algorithm, bubbles are detected using void fraction data from simulations and are completely characterized by their size, shape and location while their velocities are computed by tracking bubbles across successive time frames. A detailed analysis of 2D (across vertical sections) and 3D bubble statistics using 3D simulations of lab-scale (diameter 14.5 cm) and pilot-scale bed (diameter 30 cm) is presented and it is shown that the former (a) under-predicts sizes of larger bubbles, (b) cannot detect a large fraction of small bubbles (<3 cm) and (c) is unable to track the azimuthal motion of bubbles in the larger bed. The scalability of the algorithm is discussed by comparing the computational cost of computing bubble statistics on highly resolved grids. Even though 3D bubble detection is significantly more expensive than 2D detection, the cost is still negligible compared to the cost of accurate simulations. Besides application to fluidization simulation data of large fluidized beds, this algorithm can be easily extended to characterize bubbles, droplets and clusters in other areas of multiphase flows. (C) 2016 Elsevier B.V. All rights reserved. C1 [Bakshi, A.; Altantzis, C.; Bates, R. B.; Ghoniem, A. F.] MIT, Dept Mech Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Altantzis, C.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Bakshi, A (reprint author), MIT, Dept Mech Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM abakshi@mit.edu FU BP; United States Department of Energy FX The authors gratefully acknowledge BP for funding this research. This research was supported in part by an appointment to the National Energy Technology Laboratory Research Participation Program, sponsored by the United States Department of Energy and administered by the Oak Ridge Institute for Science and Education. NR 50 TC 3 Z9 3 U1 3 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 EI 1873-3212 J9 CHEM ENG J JI Chem. Eng. J. PD JUN 1 PY 2016 VL 293 BP 355 EP 364 DI 10.1016/j.cej.2016.02.058 PG 10 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA DK0KV UT WOS:000374602600038 ER PT J AU Shin, HM McKone, TE Bennett, DH AF Shin, Hyeong-Moo McKone, Thomas E. Bennett, Deborah H. TI Volatilization of low vapor pressure - volatile organic compounds (LVP-VOCs) during three cleaning products-associated activities: Potential contributions to ozone formation SO CHEMOSPHERE LA English DT Article DE Cleaning product; Consumer product; Low vapor pressure-volatile organic compounds; Ozone; Volatilization model ID INCREMENTAL HYDROCARBON REACTIVITY; INDOOR ENVIRONMENTAL-CONDITIONS; RESIDENTIAL WASHING MACHINES; MASS-TRANSFER COEFFICIENT; SMALL WATER POOLS; DOWNWIND CONCENTRATIONS; EVAPORATION RATE; DRINKING-WATER; AIR EMISSIONS; CHEMICALS AB There have been many studies to reduce ozone formation mostly from volatile organic compound (VOC) sources. However, the role of low vapor pressure (LVP)-VOCs from consumer products remains mostly unexplored and unaddressed. This study explores the impact of high production volume LVP-VOCs on ozone formation from three cleaning products-associated activities (dishwashing, clothes washing, and surface cleaning). We develop a model framework to account for the portion available for ozone formation during the use phase and from the down-the-drain disposal. We apply experimental studies that measured emission rates or models that were developed for estimating emission rates of organic compounds during. the use phase. Then, the fraction volatilized (f(volatilized)) and the fraction disposed down the drain (f(down-the-drain)) are multiplied by the portion available for ozone formation for releases to the outdoor air (f(O3 vertical bar volatilized)) and down-the-drain (f(O3 vertical bar down-the-drain)), respectively. Overall, for chemicals used in three specific cleaning product uses, f(volatilized) is less than 0.6% for all studied LVP-VOCs. Because greater than 99.4% of compounds are disposed of down the drain during the use phase, when combined with f(O3 vertical bar volatilized) and f(down-the-drain), the portion available for ozone formation from the direct releases to outdoor air and the down-the drain disposal is less than 0.4% and 0.2%, respectively. The results from this study indicate that the impact of the studied LVP-VOCs on ozone formation is very sensitive to what occurs during the use phase and suggest the need for future research on experimental work at the point of use. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Shin, Hyeong-Moo; Bennett, Deborah H.] Univ Calif Davis, Dept Publ Hlth Sci, Davis, CA 95616 USA. [McKone, Thomas E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Berkeley, CA 94720 USA. [McKone, Thomas E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. RP Shin, HM (reprint author), Univ Calif Davis, 1 Shields Ave,MS1-C, Davis, CA 95616 USA. EM hmshin@ucdavis.edu NR 39 TC 1 Z9 1 U1 8 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD JUN PY 2016 VL 153 BP 130 EP 137 DI 10.1016/j.chemosphere.2016.02.131 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA DL4SZ UT WOS:000375628800015 PM 27016807 ER PT J AU van Genuchten, CM Bandaru, SRS Surorova, E Amrose, SE Gadgil, AJ Pena, J AF van Genuchten, Case M. Bandaru, Siva R. S. Surorova, Elena Amrose, Susan E. Gadgil, Ashok J. Pena, Jasquelin TI Formation of macroscopic surface layers on Fe(0) electrocoagulation electrodes during an extended field trial of arsenic treatment SO CHEMOSPHERE LA English DT Article DE Arsenic remediation; Fe(0) electrocoagulation; Electrode surface layer mineralogy; Sustainable water treatment; Fe(0) corrosion ID DRINKING-WATER RESOURCES; IRON ELECTROCOAGULATION; ATMOSPHERIC CORROSION; HYDROGEN-PEROXIDE; ORGANIC-MATTER; PASSIVE FILMS; EDGE EXAFS; REMOVAL; OXIDATION; CONTAMINATION AB Extended field trials to remove arsenic (As) via Fe(0) electrocoagulation (EC) have demonstrated consistent As removal from groundwater to concentrations below 10 mu g L-1. However, the coulombic performance of long-term EC field operation is lower than that of laboratory-based systems. Although EC electrodes used over prolonged periods show distinct passivation layers, which have been linked to decreased treatment efficiency, the spatial distribution and mineralogy of such surface layers have not been investigated. In this work, we combine wet chemical measurements with sub-micron-scale chemical maps and selected area electron diffraction (SAED) to determine the chemical composition and mineral phase of surface layers formed during long-term Fe(0) EC treatment. We analyzed Fe(0) EC electrodes used for 3.5 months of daily treatment of As-contaminated groundwater in rural West Bengal, India. We found that the several mm thick layer that formed on cathodes and anodes consisted of primarily magnetite, with minor fractions of goethite. Spatially-resolved SAED patterns also revealed small quantities of CaCO3, Mn oxides, and SiO2, the source of which was the groundwater electrolyte. We propose that the formation of the surface layer contributes to decreased treatment performance by preventing the migration of EC-generated Fe(II) to the bulk electrolyte, where As removal occurs. The trapped Fe(II) subsequently increases the surface layer size at the expense of treatment efficiency. Based on these findings, we discuss several simple and affordable methods to prevent the efficiency loss due to the surface layer, including alternating polarity cycles and cleaning the Fe(0) surface mechanically or via electrolyte scouring. (C) 2016 Elsevier Ltd. All rights reserved. C1 [van Genuchten, Case M.; Surorova, Elena; Pena, Jasquelin] Univ Lausanne, Inst Earth Surface Dynam, Lausanne, Switzerland. [Bandaru, Siva R. S.; Amrose, Susan E.; Gadgil, Ashok J.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Gadgil, Ashok J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA. RP van Genuchten, CM (reprint author), Univ Lausanne, 3233 Geopolis, CH-1015 Lausanne, Switzerland. EM case.vangenuchten@unil.ch FU Sandoz Family Foundation; BCV Foundation; Blum Center for Developing Economies; USEPA P3 Phase II award; Sustainable Products and Solutions Program at UC Berkeley; Rudd Chair; Marin-San Francisco Jewish Teen Foundation; Development Impact Lab (USAID) part of the USAID Higher Education Solutions Network [AID-OAA-A-13-00002]; US-India Science and Technology Endowment Fund FX We gratefully acknowledge the following researchers for their technical assistance and/or advice along the various stages of this work: Leon Alexander Geernaert, Thierry Adatte, Jean-Claude Lavanchy, Joyashree Roy, Francesco Femi Marafatto, Amit Dutta, Anupam DebSarkar, and Caroline Delaire. The authors are thankful to Prof. Cecile Hebert for providing access to the microscopes and interpretation software at the Centre Interdisciplinaire de Microscopie Electronique (CIME) of EPFL. This work was supported in part by The Sandoz Family Foundation, The BCV Foundation, The Blum Center for Developing Economies, a USEPA P3 Phase II award, The Sustainable Products and Solutions Program at UC Berkeley, Rudd Chair funds to Prof. Gadgil, the Marin-San Francisco Jewish Teen Foundation, the Development Impact Lab (USAID Cooperative Agreement AID-OAA-A-13-00002), part of the USAID Higher Education Solutions Network, and the US-India Science and Technology Endowment Fund. NR 48 TC 2 Z9 2 U1 12 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD JUN PY 2016 VL 153 BP 270 EP 279 DI 10.1016/j.chemosphere.2016.03.027 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA DL4SZ UT WOS:000375628800032 PM 27018519 ER PT J AU Shadid, JN Pawlowski, RP Cyr, EC Tuminaro, RS Chacon, L Weber, PD AF Shadid, J. N. Pawlowski, R. P. Cyr, E. C. Tuminaro, R. S. Chacon, L. Weber, P. D. TI Scalable implicit incompressible resistive MHD with stabilized FE and fully-coupled Newton-Krylov-AMG SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Stabilized FE; Variational multiscale methods; Resistive magnetohydrodynamics; Implicit methods; Newton-Krylov; Algebraic multigrid methods ID FINITE-ELEMENT APPROXIMATION; DOMAIN DECOMPOSITION PRECONDITIONERS; ALGEBRAIC MULTILEVEL PRECONDITIONER; COMPUTATIONAL FLUID-DYNAMICS; NAVIER-STOKES EQUATIONS; MAGNETOHYDRODYNAMIC EQUATIONS; MAGNETO-HYDRODYNAMICS; SEMIIMPLICIT SCHEMES; POLYHEDRAL DOMAINS; DRIFT-DIFFUSION AB The computational solution of the governing balance equations for mass, momentum, heat transfer and magnetic induction for resistive magnetohydrodynamics (MHD) systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena, as well as the significant range of time-and length-scales that the interactions of these physical mechanisms produce. This paper explores the development of a scalable, fully-implicit stabilized unstructured finite element (FE) capability for 3D incompressible resistive MHD. The discussion considers the development of a stabilized FE formulation in context of the variational multiscale (VMS) method, and describes the scalable implicit time integration and direct-to-steady-state solution capability. The nonlinear solver strategy employs Newton-Krylov methods, which are preconditioned using fully-coupled algebraic multilevel preconditioners. These preconditioners are shown to enable a robust, scalable and efficient solution approach for the large-scale sparse linear systems generated by the Newton linearization. Verification results demonstrate the expected order-of-accuracy for the stabilized FE discretization. The approach is tested on a variety of prototype problems, that include MHD duct flows, an unstable hydromagnetic Kelvin-Helmholtz shear layer, and a 3D island coalescence problem used to model magnetic reconnection. Initial results that explore the scaling of the solution methods are also presented on up to 128K processors for problems with up to 1.8B unknowns on a CrayXK7. Published by Elsevier B.V. C1 [Shadid, J. N.; Pawlowski, R. P.; Cyr, E. C.; Tuminaro, R. S.; Weber, P. D.] Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA. [Shadid, J. N.] Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. [Chacon, L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Shadid, JN (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA. EM jnshadi@sandia.gov OI Chacon, Luis/0000-0002-4566-8763 FU DOE NNSA ASC; DOE Office of Science AMR program at Sandia National Laboratory [DE-AC04-94AL85000]; Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was partially supported by DOE NNSA ASC Algorithms effort, the DOE Office of Science AMR program at Sandia National Laboratory under contract DE-AC04-94AL85000, and at Los Alamos National Laboratory under contract DE-AC52-06NA25396. NR 98 TC 5 Z9 5 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PD JUN 1 PY 2016 VL 304 BP 1 EP 25 DI 10.1016/j.cma.2016.01.019 PG 25 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA DJ9AR UT WOS:000374506600001 ER PT J AU Aghakhani, H Dalbey, K Salac, D Patra, AK AF Aghakhani, Hossein Dalbey, Keith Salac, David Patra, Abani K. TI Heuristic and Eulerian interface capturing approaches for shallow water type flow and application to granular flows SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Shallow water flow; Thin layer; Wetting/drying; Phase field; Level set ID LEVEL SET METHODS; PHASE-FIELD MODELS; FREE-SURFACE; FRONT-TRACKING; NUMERICAL-SIMULATION; INCOMPRESSIBLE-FLOW; IMAGE SEGMENTATION; NONUNIFORM SYSTEM; FLUID METHODS; FREE-ENERGY AB Determining the wet-dry boundary and avoiding the related spurious thin-layer problem when solving the depth-averaged shallow-water (SW) equations (or similar granular flow models) remains an outstanding challenge, though it has been the focus of much research effort. In this paper, we introduce the use of level set and phase field based methods to address this issue and related problems. We also propose new heuristic methods to address this problem. We implemented all of these methods in TITAN2D, which is a parallel adaptive mesh refinement toolkit designed for numerical simulation of granular flows. Results of the methods for flow over a simple inclined plane and Colima volcano are used to illustrate the methods. For the inclined plane, we compared the results with experimental data and for Colima volcano they are compared to field data. Our approaches successfully captured the interface of the flow and solved the accuracy and stability problems related to the thin layer problem in SW numerical solution. The comparison of results shows that although all of the methods can be used to address this problem, each of them has its own advantages/disadvantages and methods have to be chosen carefully for each problem. (C) 2016 Elsevier B.V. All rights reserved. C1 [Aghakhani, Hossein; Salac, David; Patra, Abani K.] Univ Buffalo, Dept Mech & Aerosp Engn, Buffalo, NY USA. [Dalbey, Keith] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Patra, AK (reprint author), Univ Buffalo, Dept Mech & Aerosp Engn, Buffalo, NY USA. EM abani@buffalo.edu RI Patra, Abani/F-8262-2016; OI Aghakhani, Hossein/0000-0003-2398-9301 FU NSF [ACI 1339765, IDR 1131074] FX We acknowledge the Colima deposit and experiment data made available to us by Prof. M. I. Bursik and for helpful discussions on the use of that data. The work described above was funded by NSF awards ACI 1339765 and IDR 1131074. NR 58 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PD JUN 1 PY 2016 VL 304 BP 243 EP 264 DI 10.1016/j.cma.2016.02.021 PG 22 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA DJ9AR UT WOS:000374506600011 ER PT J AU Lehe, R Kirchen, M Andriyash, IA Godfrey, BB Vay, JL AF Lehe, Remi Kirchen, Manuel Andriyash, Igor A. Godfrey, Brendan B. Vay, Jean-Luc TI A spectral, quasi-cylindrical and dispersion-free Particle-In-Cell algorithm SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Particle-In-Cell; Pseudo-spectral; Hankel transform; Cylindrical geometry ID LORENTZ-BOOSTED FRAME; NUMERICAL STABILITY; HANKEL TRANSFORM; PIC SIMULATIONS; CODE; ACCELERATORS; INSTABILITY; PLASMAS; ORDER AB We propose a spectral Particle-In-Cell (PIC) algorithm that is based on the combination of a Hankel transform and a Fourier transform. For physical problems that have close-to-cylindrical symmetry, this algorithm can be much faster than full 3D PIC algorithms. In addition, unlike standard finite-difference PIC codes, the proposed algorithm is free of spurious numerical dispersion, in vacuum. This algorithm is benchmarked in several situations that are of interest for laser-plasma interactions. These benchmarks show that it avoids a number of numerical artifacts, that would otherwise affect the physics in a standard PIC algorithm including the zero-order numerical Cherenkov effect. Published by Elsevier B.V. C1 [Lehe, Remi; Godfrey, Brendan B.; Vay, Jean-Luc] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kirchen, Manuel] Univ Hamburg, Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany. [Kirchen, Manuel] Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany. [Andriyash, Igor A.] Univ Paris Saclay, Ecole Polytech, CNRS, LOA,ENSTA ParisTech, 828 Bd Marechaux, F-91762 Palaiseau, France. [Godfrey, Brendan B.] Univ Maryland, College Pk, MD 20742 USA. RP Lehe, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rlehe@lbl.gov FU Office of Science, Office of High Energy Physics, U.S. Dept. of Energy [DE-AC02-05CH11231]; Laboratory Directed Research and Development (LDRD) from Berkeley Lab; United States Government FX This work was supported by the Director, Office of Science, Office of High Energy Physics, U.S. Dept. of Energy under Contract No. DE-AC02-05CH11231, including from the Laboratory Directed Research and Development (LDRD) funding from Berkeley Lab.r This document was prepared as an account of work sponsored in part by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor The Regents of the University of California, nor any of their employees, nor the authors 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 United States 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 United States Government or any agency thereof or The Regents of the University of California. NR 45 TC 3 Z9 3 U1 2 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2016 VL 203 BP 66 EP 82 DI 10.1016/j.cpc.2016.02.007 PG 17 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DL2XT UT WOS:000375499200005 ER PT J AU Qiang, J AF Qiang, Ji TI Efficient three-dimensional Poisson solvers in open rectangular conducting pipe SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Poisson equation; Spectral method; Green function ID COLLOCATION METHOD; ACCURATE SOLUTION; CHARGED-BEAM; EQUATION; SIMULATION AB Three-dimensional (3D) Poisson solver plays an important role in the study of space-charge effects on charged particle beam dynamics in particle accelerators. In this paper, we propose three new 3D Poisson solvers for a charged particle beam in an open rectangular conducting pipe. These three solvers include a spectral integrated Green function (IGF) solver, a 3D spectral solver, and a 3D integrated Green function solver. These solvers effectively handle the longitudinal open boundary condition using a finite computational domain that contains the beam itself. This saves the computational cost of using an extra larger longitudinal domain in order to set up an appropriate finite boundary condition. Using an integrated Green function also avoids the need to resolve rapid variation of the Green function inside the beam. The numerical operational cost of the spectral IGF solver and the 3D IGF solver scales as O(N log(N)), where N is the number of grid points. The cost of the 3D spectral solver scales as O(NnN), where N-n is the maximum longitudinal mode number. We compare these three solvers using several numerical examples and discuss the advantageous regime of each solver in the physical application. (C) 2016 Elsevier B.V. All rights reserved. C1 [Qiang, Ji] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cycltron Rd, Berkeley, CA 94720 USA. RP Qiang, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cycltron Rd, Berkeley, CA 94720 USA. EM jqiang@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX The work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This research used computer resources at the National Energy Research Scientific Computing Center and at the National Center for Computational Sciences. NR 24 TC 0 Z9 0 U1 3 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2016 VL 203 BP 122 EP 127 DI 10.1016/j.cpc.2016.02.012 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DL2XT UT WOS:000375499200009 ER PT J AU Korpilo, T Gurchenko, AD Gusakov, EZ Heikkinen, JA Janhunen, SJ Kiviniemi, TP Leerink, S Niskala, P Perevalov, AA AF Korpilo, T. Gurchenko, A. D. Gusakov, E. Z. Heikkinen, J. A. Janhunen, S. J. Kiviniemi, T. P. Leerink, S. Niskala, P. Perevalov, A. A. TI Gyrokinetic full-torus simulations of ohmic tokamak plasmas in circular limiter configuration SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Core-edge turbulence; Gyrokinetic particle simulation; Fusion plasma physics ID BINARY COLLISION MODEL; PARTICLE SIMULATION; TRANSPORT AB The gyrokinetic full 5D particle distribution code ELMFIRE has been extended to simulate circular tokamak plasmas from the magnetic axis to the limiter scrape-off-layer. The predictive power of the code in the full torus configuration is tested via its ability to reproduce experimental steady-state profiles in FT-2 ohmic L-mode plasmas. The results show that the experimental profile solution is not reproduced numerically due to the difficulty of obtaining global power balance. This is verified by cross-comparison of ELMFIRE code versions, which shows also the impact of boundary conditions and grid resolution on turbulent transport. (C) 2016 Elsevier B.V. All rights reserved. C1 [Korpilo, T.; Kiviniemi, T. P.; Leerink, S.; Niskala, P.] Aalto Univ, Dept Appl Phys, Espoo, Finland. [Gurchenko, A. D.; Gusakov, E. Z.] Russian Acad Sci, AF Ioffe Phys Tech Inst, St Petersburg 196140, Russia. [Janhunen, S. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Perevalov, A. A.] St Petersburg State Polytech Univ, St Petersburg, Russia. [Heikkinen, J. A.] VTT, Espoo, Finland. RP Korpilo, T (reprint author), Aalto Univ, Dept Appl Phys, Espoo, Finland. EM tuomas.korpilo@aalto.fi RI Janhunen, Salomon/I-3645-2016; Gurchenko, Alexey/C-1496-2014; OI Janhunen, Salomon/0000-0002-8022-0825; Niskala, Paavo/0000-0001-7308-9921 FU Euratom research and training programme [633053]; Tekes - the Finnish Funding Agency for Innovation under the FinnFusion Consortium; Academy of Finland [278487]; RFBR [13-02-00614, 15-02-03766]; High Level Support Team; PRACE-3IP project [FP7 RI-312763] FX 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 number 633053 [and from Tekes - the Finnish Funding Agency for Innovation under the FinnFusion Consortium]. The views and opinions expressed herein do not necessarily reflect those of the European Commission. The work has been supported by the Academy of Finland grant 278487, RFBR grants 13-02-00614 and 15-02-03766, and High Level Support Team. CSC - IT Center for Science Ltd. and IFERC-CSC are acknowledged for allocation of computational resources for this work. Part of the results of this research has been achieved using the PRACE-3IP project (FP7 RI-312763) resource Lindgren based in Sweden at PDC Center for High Performance Computing. NR 18 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2016 VL 203 BP 128 EP 137 DI 10.1016/j.cpc.2016.02.021 PG 10 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DL2XT UT WOS:000375499200010 ER PT J AU Januchowski-Hartley, SR Holtz, LA Martinuzzi, S McIntyre, PB Radeloff, VC Pracheil, BM AF Januchowski-Hartley, Stephanie R. Holtz, Lauren A. Martinuzzi, Sebastian McIntyre, Peter B. Radeloff, Volker C. Pracheil, Brenda M. TI Future land use threats to range-restricted fish species in the United States SO DIVERSITY AND DISTRIBUTIONS LA English DT Article DE biodiversity indicators; Endangered Species Act; extinction risk; global change; IUCN Red List; scenario planning ID FRESH-WATER CONSERVATION; IUCN RED LIST; EXTINCTION RISK; CLIMATE-CHANGE; BIODIVERSITY; IMPACTS; DIVERSITY; SCENARIOS; HOTSPOTS AB Aim Land use change is one major threat to freshwater biodiversity, and land use change scenarios can help to assess threats from future land use change, thereby guiding proactive conservation decisions. Our goal was to identify which range-restricted freshwater fish species are most likely to be affected by land use change and to determine where threats to these species from future land use change in the conterminous United States are most pronounced. Location United States of America. Methods We focused on range-restricted freshwater fish species, identified which of these species are considered threatened based on either the International Union for the Conservation of Nature (IUCN)'s Red List or the Endangered Species Act (ESA), and compared their distributions to patterns of future land use changes by 2051 under three scenarios. Results We found that 14% of the range-restricted species had >30% of their distribution area occupied by intensive land use in 2001, and this number increased from 27 to 58% by 2051 depending on the land use scenario. Among the 57 species most likely to be strongly affected by intensive land use, only 26% of these species are currently listed as threatened on the IUCN Red List, and 12% are listed as threatened under the ESA. Main conclusions Our approach demonstrates the value of considering future land use change scenarios in extinction risk assessment frameworks and offers guidelines for how this could be achieved for future assessments. C1 [Januchowski-Hartley, Stephanie R.; McIntyre, Peter B.] Texas A&M Univ, Dept Life Sci, 6300 Ocean Dr, Corpus Christi, TX 78412 USA. [Holtz, Lauren A.] Univ Wisconsin, Ctr Limnol, 680 N Pk St, Madison, WI 53706 USA. [Martinuzzi, Sebastian; Radeloff, Volker C.] Univ Wisconsin, Dept Forest & Wildlife Ecol, SILVIS Lab, 1630 Linden Dr, Madison, WI 53706 USA. [Pracheil, Brenda M.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. [Januchowski-Hartley, Stephanie R.] Univ Toulouse 3, CNRS, Lab Evolut & Diversite Biol, ENFA,UMR 5174, 118 Route Narbonne,Bat 4R1, F-31062 Toulouse, France. RP Januchowski-Hartley, SR (reprint author), Texas A&M Univ, Dept Life Sci, 6300 Ocean Dr, Corpus Christi, TX 78412 USA.; Januchowski-Hartley, SR (reprint author), Univ Toulouse 3, CNRS, Lab Evolut & Diversite Biol, ENFA,UMR 5174, 118 Route Narbonne,Bat 4R1, F-31062 Toulouse, France. EM stephierenee@gmail.com FU National Science Foundation [DEB-1115025]; Wisconsin Department of Natural Resources; National Oceanic and Atmospheric Administration; Packard Fellowship in Science and Engineering FX We gratefully acknowledge support for this study by the National Science Foundation (DEB-1115025), Wisconsin Department of Natural Resources, National Oceanic and Atmospheric Administration, and a Packard Fellowship in Science and Engineering. We thank three anonymous referees for improving our manuscript and gratefully recognize F. Januchowski-Hartley's feedback and support generating figures, D. Helmers for technical assistance, and A. Plantinga and D. Lewis for the econometric models underlying the land use projections. NR 27 TC 0 Z9 0 U1 8 U2 18 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1366-9516 EI 1472-4642 J9 DIVERS DISTRIB JI Divers. Distrib. PD JUN PY 2016 VL 22 IS 6 BP 663 EP 671 DI 10.1111/ddi.12431 PG 9 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA DL5HX UT WOS:000375669100005 ER PT J AU Carnall, M Dale, L Lekov, A AF Carnall, Michael Dale, Larry Lekov, Alex TI The economic effect of efficiency programs on energy consumers and producers SO ENERGY EFFICIENCY LA English DT Article DE Energy efficiency; Appliances; Standard; Economic benefit; Transfer ID MARKETS AB An increase in the efficiency of natural gas fired residential appliances allows users to realize the same level of service, heating water for example, while using less natural gas. In addition to this technological benefit to the residential sector, the reduced demand for natural gas depresses the price of natural gas, resulting in pecuniary gains to other energy consumers and pecuniary losses to energy producers. The question we address in this study is whether purely pecuniary effects, those that follow from the price changes elicited by lower usage of natural gas, should enter the debate concerning the implementation of energy efficiency programs. To that end, we explore the price and social welfare impacts of natural gas energy efficiency standards by evaluating the impacts of a specific efficiency standard using the National Energy Modeling System. Our analysis indicates that purely pecuniary losses to producers are largely offset by pecuniary benefits to consumers. Our analysis also provides useful insight into the sources of these benefits and losses. Although our results are based on a specific model and efficiency standard, we believe that the results generalize to other efficiency programs and would be reproduced using other energy models. C1 [Carnall, Michael; Dale, Larry; Lekov, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd MS 90-4000, Berkeley, CA 94720 USA. RP Carnall, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd MS 90-4000, Berkeley, CA 94720 USA. EM MACarnall@lbl.gov; LLDale@lbl.gov; ABLekov@lbl.gov NR 37 TC 0 Z9 0 U1 2 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD JUN PY 2016 VL 9 IS 3 BP 647 EP 662 DI 10.1007/s12053-015-9390-y PG 16 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA DL6DH UT WOS:000375728000004 ER PT J AU Chillara, VK Lissenden, CJ AF Chillara, Vamshi Krishna Lissenden, Cliff J. TI Constitutive model for third harmonic generation in elastic solids SO INTERNATIONAL JOURNAL OF NON-LINEAR MECHANICS LA English DT Article DE Nonlinear elasticity; Nonlinear ultrasonics; Higher harmonic; Generation; Constitutive model ID WAVE SPECTROSCOPY NEWS; GUIDED-WAVES; DAMAGE; PLATES AB In this article, we present a new constitutive model for studying ultrasonic third harmonic generation in elastic solids. The model is hyperelastic in nature with two parameters characterizing the linear elastic material response and two other parameters characterizing the nonlinear response. The limiting response of the model as the nonlinearity parameters tend to zero is shown to be the well-known St Venant-Kirchhoff model. Also, the symmetric response of the model in tension and compression and its role in third harmonic generation is shown. Numerical simulations are carried out to study third harmonic generation in materials characterized by the proposed constitutive model. Predicted third harmonic guided wave generation reveals an increasing third harmonic content with increasing non linearity. On the other hand, the second harmonics are independent of the nonlinearity parameters and are generated due to the geometric nonlinearity. The feasibility of determining the nonlinearity parameters from third harmonic measurements is qualitatively discussed. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Chillara, Vamshi Krishna] Los Alamos Natl Lab, Acoust & Sensors Grp, MPA 11, Los Alamos, NM 87545 USA. [Lissenden, Cliff J.] Penn State Univ, Dept Engn Sci & Mech, University Pk, PA 16802 USA. RP Chillara, VK (reprint author), Los Alamos Natl Lab, Acoust & Sensors Grp, MPA 11, Los Alamos, NM 87545 USA. EM vchillara@lanl.gov OI Chillara, Vamshi Krishna/0000-0003-0960-0187 FU National Science Foundation [1300562]; Penn State College of Engineering FX This material is based upon work supported by the National Science Foundation under Award number 1300562. Vamshi Chillara also acknowledges the support from the Penn State College of Engineering in the form of Distinguished Teaching Fellowship. NR 27 TC 0 Z9 0 U1 1 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7462 EI 1878-5638 J9 INT J NONLIN MECH JI Int. J. Non-Linear Mech. PD JUN PY 2016 VL 82 BP 69 EP 74 DI 10.1016/j.ijnonlinmec.2016.02.008 PG 6 WC Mechanics SC Mechanics GA DL7KF UT WOS:000375818900008 ER PT J AU Romero, LA Torczynski, JR Clausen, JR O'Hern, TJ Benavides, GL AF Romero, L. A. Torczynski, J. R. Clausen, J. R. O'Hern, T. J. Benavides, G. L. TI Gas-Enabled Resonance and Rectified Motion of a Piston in a Vibrated Housing Filled With a Viscous Liquid SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID VERTICALLY OSCILLATING LIQUID; PARTICLE; FLUID; FLOW AB We show how introducing a small amount of gas can completely change the motion of a solid object in a viscous liquid during vibration. We analyze an idealized system exhibiting this behavior: a piston in a liquid-filled housing with narrow gaps between piston and housing surfaces that depend on the piston position. Recent experiments have shown that vibration causes some gas to move below the piston and the piston to subsequently move downward against its supporting spring. We analyze the analogous but simpler situation in which the gas regions are replaced by bellows with similar pressure-volume relationships. We show that the spring formed by these bellows (analogous to the pneumatic spring formed by the gas regions) enables the piston and the liquid to oscillate in a mode with low damping and a strong resonance. We further show that, near this resonance, the dependence of the gap geometry on the piston position produces a large rectified (net) force on the piston. This force can be much larger than the piston weight and tends to move the piston in the direction that decreases the flow resistance of the gap geometry. C1 [Romero, L. A.] Sandia Natl Labs, Computat Math, POB 5800,MS 1320, Albuquerque, NM 87185 USA. [Torczynski, J. R.] Sandia Natl Labs, Fluid Sci & Engn, POB 5800,MS 0840, Albuquerque, NM 87185 USA. [Clausen, J. R.] Sandia Natl Labs, Fluid & React Proc, POB 5800,MS 0828, Albuquerque, NM 87185 USA. [O'Hern, T. J.] Sandia Natl Labs, Thermal & Fluid Expt Sci, POB 5800,MS 0840, Albuquerque, NM 87185 USA. [Benavides, G. L.] Sandia Natl Labs, Adv Surety Mech, POB 5800,MS 0333, Albuquerque, NM 87185 USA. RP Romero, LA (reprint author), Sandia Natl Labs, Computat Math, POB 5800,MS 1320, Albuquerque, NM 87185 USA.; Torczynski, JR (reprint author), Sandia Natl Labs, Fluid Sci & Engn, POB 5800,MS 0840, Albuquerque, NM 87185 USA.; Clausen, JR (reprint author), Sandia Natl Labs, Fluid & React Proc, POB 5800,MS 0828, Albuquerque, NM 87185 USA.; O'Hern, TJ (reprint author), Sandia Natl Labs, Thermal & Fluid Expt Sci, POB 5800,MS 0840, Albuquerque, NM 87185 USA.; Benavides, GL (reprint author), Sandia Natl Labs, Adv Surety Mech, POB 5800,MS 0333, Albuquerque, NM 87185 USA. EM lromero@sandia.gov; jrtorcz@sandia.gov; jclause@sandia.gov; tjohern@sandia.gov; glbenav@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 27 TC 1 Z9 1 U1 1 U2 2 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD JUN PY 2016 VL 138 IS 6 AR 061302 DI 10.1115/1.4032216 PG 19 WC Engineering, Mechanical SC Engineering GA DL6ZR UT WOS:000375789100011 ER PT J AU Vaselabadi, SA Shakarisaz, D Ruchhoeft, P Strzalka, J Stein, GE AF Vaselabadi, Saeed Ahmadi Shakarisaz, David Ruchhoeft, Paul Strzalka, Joseph Stein, Gila E. TI Radiation damage in polymer films from grazing-incidence X-ray scattering measurements SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE beam damage; grazing incidence; radiation crosslinking; WAXS; irradiation; SAXS; crosslinking; block copolymers; conjugated polymers; x-ray ID INDUCED CRYSTALLINITY CHANGES; HETEROJUNCTION SOLAR-CELLS; ELECTRON-BEAM LITHOGRAPHY; COPOLYMER THIN-FILMS; LINEAR POLYETHYLENE; RESOLUTION; NM; MICROSTRUCTURE; POLYSTYRENE; IRRADIATION AB Grazing-incidence X-ray scattering (GIXS) is widely used to analyze the crystallinity and nanoscale structure in thin polymer films. However, ionizing radiation will generate free radicals that initiate crosslinking and/or chain scission, and structural damage will impact the ordering kinetics, thermodynamics, and crystallinity in many polymers. We report a simple methodology to screen for beam damage that is based on lithographic principles: films are exposed to patterns of X-ray radiation, and changes in polymer structure are revealed by immersing the film in a solvent that dissolves the shortest chains. The experiments are implemented with high throughput using the standard beam line instrumentation and a typical GIXS configuration. The extent of damage (at a fixed radiation dose) depends on a range of intrinsic material properties and experimental variables, including the polymer chemistry and molecular weight, exposure environment, film thickness, and angle of incidence. The solubility switch for common polymers is detected within 10-60 s at ambient temperature, and we verified that this first indication of damage corresponds with the onset of network formation in glassy polystyrene and a loss of crystallinity in polyalkylthiophenes. Therefore, grazing-incidence X-ray patterning offers an efficient approach to determine the appropriate data acquisition times for any GIXS experiment. (c) 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 1074-1086 C1 [Vaselabadi, Saeed Ahmadi; Stein, Gila E.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Shakarisaz, David; Ruchhoeft, Paul] Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA. [Strzalka, Joseph] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Stein, GE (reprint author), Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. EM gestein@uh.edu RI Stein, Gila/P-1927-2016 OI Stein, Gila/0000-0002-3973-4496 FU National Science Foundation [DMR-1151468, CBET-1236606]; U.S. DOE [DE-AC02-06CH11357] FX G.E.S. and S.A.V. acknowledge financial support from the National Science Foundation under Grant No. DMR-1151468. D.S. and P.R. acknowledge financial support from the National Science Foundation under Grant No. CBET-1236606. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 57 TC 3 Z9 3 U1 4 U2 16 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-6266 EI 1099-0488 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD JUN 1 PY 2016 VL 54 IS 11 BP 1074 EP 1086 DI 10.1002/polb.24006 PG 13 WC Polymer Science SC Polymer Science GA DK1UZ UT WOS:000374701600006 ER PT J AU Morrow, R Soliz, JR Hauser, AJ Gallagher, JC Susner, MA Sumption, MD Aczel, AA Yan, JQ Yang, FY Woodward, PM AF Morrow, Ryan Soliz, Jennifer R. Hauser, Adam J. Gallagher, James C. Susner, Michael A. Sumption, Michael D. Aczel, Adam A. Yan, Jiaqiang Yang, Fengyuan Woodward, Patrick M. TI The effect of chemical pressure on the structure and properties of A(2)CrOsO(6) (A = Sr, Ca) ferrimagnetic double perovskite SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Perovskite; Osmate; Magnetism; Neutron powder diffraction ID MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; MAGNETORESISTANCE; DIFFRACTION; SR2COOSO6 AB The ordered double perovskites Sr2CrOsO6 and Ca2CrOsO6 have been synthesized and characterized with neutron powder diffraction, electrical transport measurements, and high field magnetization experiments. As reported previously Sr2CrOsO6 crystallizes with R (3) over bar symmetry due to a(-)a(-)a(-) octahedral tilting. A decrease in the tolerance factor leads to a(-)a(-)b(+) octahedral tilting and P2(1)/n space group symmetry for Ca2CrOsO6. Both materials are found to be ferrimagnetic insulators with saturation magnetizations near 0.2 mu(B). Sr2CrOsO6 orders at 660 K while Ca2CrOsO6 orders at 490 K. Variable temperature magnetization measurements suggest that the magnetization of the Cr3+ and Os3+ sublattices have different temperature dependences in Sr2CrOsO6. This leads to a non-monotonic temperature evolution of the magnetic moment. Similar behavior is not seen in Ca2CrOsO6. Both compounds have similar levels of Os/Cr antisite disorder, with order parameters of eta=80.2(4)% for Sr2CrOsO6 and eta=76.2(5)% for Ca2CrOsO6, where eta=2 theta-1 and theta is the occupancy of the osmium ion on the osmium-rich Wyckoff site. (C) 2016 Published by Elsevier Inc. C1 [Morrow, Ryan; Soliz, Jennifer R.; Woodward, Patrick M.] Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA. [Soliz, Jennifer R.] Edgewood Chem Biol Ctr, 5183 Blackhawk Rd, Aberdeen Proving Ground, MD 21010 USA. [Hauser, Adam J.; Gallagher, James C.; Yang, Fengyuan] Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. [Hauser, Adam J.] Univ Calif Santa Barbara, Calif Nanosyst Inst, Santa Barbara, CA 93106 USA. [Susner, Michael A.; Sumption, Michael D.] Ohio State Univ, Dept Mat Sci & Engn, 116 W 19Th Ave, Columbus, OH 43210 USA. [Susner, Michael A.; Yan, Jiaqiang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Aczel, Adam A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Woodward, PM (reprint author), Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA. EM woodward@chemistry.ohio-state.edu RI Susner, Michael/B-1666-2013; Sumption, Mike/N-5913-2016 OI Susner, Michael/0000-0002-1211-8749; Sumption, Mike/0000-0002-4243-8380 FU Center for Emergent Materials an NSF [DMR-1420451]; U.S. Department of Energy, Office of High Energy Physics [DE-FG02-95ER40900, DE-SC0001304]; National Science Foundation [DMR-1157490]; State of Florida; U.S. Department of Energy, Office of Basic Energy Sciences FX Support for this research was provided by the Center for Emergent Materials an NSF sponsored Materials Research Science and Engineering Center (DMR-1420451). Additional support was provided by the U.S. Department of Energy, Office of High Energy Physics under Grant number DE-FG02-95ER40900 and DE-SC0001304 (magnetic characterization). A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement no. DMR-1157490 and the State of Florida. A portion of this research was carried out at Oak Ridge National Laboratory's Spallation Neutron Source and High Flux Isotope Reactor, which is sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences. The authors thankfully acknowledge Ashfia Huq and Pamela Whitfield for experimental assistance with POWGEN data collection. NR 39 TC 3 Z9 3 U1 14 U2 29 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JUN PY 2016 VL 238 BP 46 EP 52 DI 10.1016/j.jssc.2016.02.025 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA DL4VF UT WOS:000375635200007 ER PT J AU Sigdel, TK Gao, YQ He, JT Wang, AY Nicora, CD Fillmore, TL Shi, TJ Webb-Robertson, BJ Smith, RD Qian, WJ Salvatierra, O Camp, DG Sarwal, MM AF Sigdel, Tara K. Gao, Yuqian He, Jintang Wang, Anyou Nicora, Carrie D. Fillmore, Thomas L. Shi, Tujin Webb-Robertson, Bobbie-Jo Smith, Richard D. Qian, Wei-Jun Salvatierra, Oscar Camp, David G., II Sarwal, Minnie M. TI Mining the human urine proteome for monitoring renal transplant injury SO KIDNEY INTERNATIONAL LA English DT Article DE acute rejection; kidney transplantation injury; noninvasive biomarkers; protein biomarkers; urine proteomics ID DIFFERENTIAL-DIAGNOSIS; KIDNEY-TRANSPLANTATION; ALLOGRAFT PATHOLOGY; REJECTION; NEPHROPATHY; MECHANISMS; EXPRESSION; DISEASE; CLASSIFICATION; MULTICENTER AB The human urinary proteome provides an assessment of kidney injury with specific biomarkers for different kidney injury phenotypes. In an effort to fully map and decipher changes in the urine proteome and peptidome after kidney transplantation, renal allograft biopsy matched urine samples were collected from 396 kidney transplant recipients. Centralized and blinded histology data from paired graft biopsies was used to classify urine samples into diagnostic categories of acute rejection, chronic allograft nephropathy, BK virus nephritis, and stable graft. A total of 245 urine samples were analyzed by liquid chromatography-mass spectrometry using isobaric Tags for Relative and Absolute Quantitation (iTRAQ) reagents. From a group of over 900 proteins identified in transplant injury, a set of 131 peptides were assessed by selected reaction monitoring for their significance in accurately segregating organ injury causation and pathology in an independent cohort of 151 urine samples. Ultimately, a minimal set of 35 proteins were identified for their ability to segregate the 3 major transplant injury clinical groups, comprising the final panel of 11 urinary peptides for acute rejection (93% area under the curve [AUC]), 12 urinary peptides for chronic allograft nephropathy (99% AUC), and 12 urinary peptides for BK virus nephritis (83% AUC). Thus, urinary proteome discovery and targeted validation can identify urine protein panels for rapid and noninvasive differentiation of different causes of kidney transplant injury, without the requirement of an invasive biopsy. C1 [Sigdel, Tara K.; Wang, Anyou; Sarwal, Minnie M.] Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA. [Gao, Yuqian; He, Jintang; Nicora, Carrie D.; Fillmore, Thomas L.; Shi, Tujin; Webb-Robertson, Bobbie-Jo; Smith, Richard D.; Qian, Wei-Jun; Camp, David G., II] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Salvatierra, Oscar] Stanford Univ, Dept Surg, Palo Alto, CA 94304 USA. RP Sarwal, MM (reprint author), Univ Calif San Francisco, S1268,513 Parnassus Ave, San Francisco, CA 94143 USA. EM minnie.sarwal@ucsf.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU National Institute of Diabetes and Digestive and Kidney Diseases [R01DK083447, DP2OD006668, P41GM103493] FX The authors acknowledge the funding support from National Institute of Diabetes and Digestive and Kidney Diseases grants R01DK083447 (to MMS and DGC), DP2OD006668 (to WJQ), and P41GM103493 (to RDS). The experimental work described herein was performed in the Environmental Molecular Sciences Laboratory, a U.S. Department of Energy national scientific user facility located at Pacific Northwest National Laboratory in Richland, Washington, and in the Sarwal Lab at University of California, San Francisco. We thank Kaelyn Caspillo for her help with manuscript preparation. NR 37 TC 4 Z9 4 U1 6 U2 10 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0085-2538 EI 1523-1755 J9 KIDNEY INT JI Kidney Int. PD JUN PY 2016 VL 89 IS 6 BP 1244 EP 1252 DI 10.1016/j.kint.2015.12.049 PG 9 WC Urology & Nephrology SC Urology & Nephrology GA DL5QY UT WOS:000375693100013 PM 27165815 ER PT J AU Sautter, V Toplis, MJ Beck, P Mangold, N Wiens, R Pinet, P Cousin, A Maurice, S LeDeit, L Hewins, R Gasnault, O Quantin, C Forni, O Newsom, H Meslin, PY Wray, J Bridges, N Payre, V Rapin, W Le Mouelic, S AF Sautter, Violaine Toplis, Michael J. Beck, Pierre Mangold, Nicolas Wiens, Roger Pinet, Patrick Cousin, Agnes Maurice, Sylvestre LeDeit, Laetitia Hewins, Roger Gasnault, Olivier Quantin, Cathy Forni, Olivier Newsom, Horton Meslin, Pierre-Yves Wray, James Bridges, Nathan Payre, Valerie Rapin, William Le Mouelic, Stephane TI Magmatic complexity on early Mars as seen through a combination of orbital, in-situ and meteorite data SO LITHOS LA English DT Review DE Mars; Crust; Alkaline suite; Orbital spectroscopy; Martian meteorites; Rover observations ID CHEMCAM INSTRUMENT SUITE; X-RAY SPECTROMETER; GALE CRATER; GUSEV CRATER; MARTIAN MANTLE; CHEMICAL CLASSIFICATION; CONTINENTAL-CRUST; VALLES MARINERIS; VOLCANIC-ROCKS; LANDING SITE AB Until recently, Mars was considered a basalt-covered world, but this vision is evolving thanks to new orbital, in situ and meteorite observations, in particular of rocks of the ancient Noachian period. In this contribution we summarise newly recognised compositional and mineralogical differences between older and more recent rocks, and explore the geodynamic implications of these new findings. For example the MSL rover has discovered abundant felsic rocks close to the landing site coming from the wall of Gale crater ranging from alkali basalt to trachyte. In addition, the recently discovered Martian regolith breccia NWA 7034 (and paired samples) contain many coarse-grained noritic-monzonitic clasts demonstrably Noachian in age, and even some clasts that plot in the mugearite field. Olivine is also conspicuously lacking in these ancient samples, in contrast to later Hesperian rocks. The alkali-suite requires low-degree melting of the Martian mantle at low pressure, whereas the later Hesperian magmatism would appear to be produced by higher mantle temperatures. Various scenarios are proposed to explain these observations, including different styles of magmatic activity (i.e. passive upwelling vs. hotspots). A second petrological suite of increasing interest involves quartzo-feldspathic materials that were first inferred from orbit, in local patches in the southern highlands and in the lower units of Valles Marineris. However, identification of felsic rocks from orbit is limited by the low detectability of feldspar in the near infrared. On the other hand, the MSL rover has described the texture, mineralogy and composition of felsic rocks in Gale crater that are granodiorite-like samples akin to terrestrial TTG (Tonalite-Trondhjemite-Granodiorite suites). These observations, and the low average density of the highlands crust, suggest the early formation of 'continental' crust on Mars, although the details of the geodynamic scenario and the importance of volatiles in their generation are aspects that require further work. (c) 2016 Elsevier B.V. All rights reserved. C1 [Sautter, Violaine; Hewins, Roger] Museum Hist Nat Paris, IMPMC, Paris, France. [Toplis, Michael J.; Pinet, Patrick; Cousin, Agnes; Maurice, Sylvestre; Gasnault, Olivier; Forni, Olivier; Meslin, Pierre-Yves; Rapin, William] IRAP, Toulouse, France. [Beck, Pierre] Inst Planetol & Astrophys, Grenoble, France. [Mangold, Nicolas; LeDeit, Laetitia; Le Mouelic, Stephane] LPG Nantes, Nantes, France. [Wiens, Roger] Los Alamos Natl Lab, Los Alamos, NM USA. [Quantin, Cathy] Univ Lyon 1, ENS Lyon, Lab Geol, F-69622 Villeurbanne, France. [Newsom, Horton] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. [Wray, James] Georgia Inst Technol, Atlanta, GA 30332 USA. [Bridges, Nathan] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. [Payre, Valerie] G2R, Nancy, France. RP Sautter, V (reprint author), IMPMC, 61 Rue Buffon, F-75005 Paris, France. EM vsautter@mnhn.fr RI Wray, James/B-8457-2008; Quantin, Cathy/H-1516-2014; Beck, Pierre/F-3149-2011 OI Wray, James/0000-0001-5559-2179; FU NASA's Mars exploration programme in the US; NASA's Mars exploration programme in France; Centre National d'Etudes spatiales (CNES) FX The MSL team is gratefully acknowledged. This research was carried out with funding from NASA's Mars exploration programme in the US and in France with the Centre National d'Etudes spatiales (CNES). Discussions with John Carter and David Baratoux were much appreciated, as were formal reviews by Marieke Schmidt and anonymous reviewer. NR 137 TC 7 Z9 7 U1 11 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0024-4937 EI 1872-6143 J9 LITHOS JI Lithos PD JUN PY 2016 VL 254 BP 36 EP 52 DI 10.1016/j.lithos.2016.02.023 PG 17 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA DL8JK UT WOS:000375888100003 ER PT J AU Mounfield, WP Tumuluri, U Jiao, Y Li, MJ Dai, S Wu, ZL Walton, KS AF Mounfield, William P., III Tumuluri, Uma Jiao, Yang Li, Meijun Dai, Sheng Wu, Zili Walton, Krista S. TI Role of defects and metal coordination on adsorption of acid gases in MOFs and metal oxides: An in situ IR spectroscopic study SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Metal-organic framework; Ceria; Titania; Acid gas; MOF derived-oxide ID SELECTIVE CATALYTIC-REDUCTION; TRANSFORM INFRARED-SPECTROSCOPY; DEFINED SURFACE PLANES; DOPED ZRO2 CATALYSTS; ORGANIC FRAMEWORKS; CARBON-DIOXIDE; ROOM-TEMPERATURE; CERIUM OXIDE; STRUCTURE DEPENDENCE; CEO2 NANOCRYSTALS AB Metal-organic frameworks (MOFs) often display promising performance in ideal, one- or two component systems; however, industrial adsorption and catalytic applications are almost always in the presence of acid gases that degrade the adsorbent or catalyst. Therefore, it is necessary to understand the interaction of acid gases with MOFs to drive future material design. Acid gas adsorption has been widely investigated on metal oxides, while few fundamental studies exist for MOFs. Therefore, MOF-derived oxides were prepared to give insight into adsorbed species on MOFs by connecting to the understanding that exists for adsorbed species on metal oxides. These MOF-derived oxides retain the overall morphology of the parent MOF, allowing direct comparison of the effect of morphology and the metal coordination environment on adsorbed species and acid gas stability of MOF, MOF-derived oxide, and traditionally synthesized metal oxide. A cerium-based MOF with open-metal sites, CeBTC, and the Ti-based MIL-125 were chosen to prepare MOF-derived oxides. IR studies show that adsorbed species during SO2 and CO2 adsorption on the MOF materials could be directly correlated to species observed on the MOF-derived and traditional oxides. In addition, the adsorbed species on the MOF-derived oxides differed from traditional oxides due to their different morphology and retained porosity. SEM and TEM images taken before and after CO2/SO2 adsorption experiments revealed degradation of all materials giving visual insight into the degradation mechanism after acid gas exposure. This study advances the understanding of acid gas adsorption on MOFs by correlation of adsorbed species with MOF-derived and traditional metal oxides. (C) 2016 Elsevier Inc. All rights reserved. C1 [Mounfield, William P., III; Jiao, Yang; Walton, Krista S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Tumuluri, Uma; Dai, Sheng; Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Li, Meijun; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Walton, KS (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM krista.walton@chbe.gatech.edu RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 FU Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012577] FX The authors thank Karen Tulig for her help with TEM imaging. This work was supported as part of the Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center funded by U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award #DE-SC0012577. Research at Oak Ridge National Laboratory, including the IR and Raman spectroscopy, was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 75 TC 3 Z9 3 U1 44 U2 98 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD JUN PY 2016 VL 227 BP 65 EP 75 DI 10.1016/j.micromeso.2016.02.023 PG 11 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DL7MA UT WOS:000375823600009 ER PT J AU Opgenorth, PH Korman, TP Bowie, JU AF Opgenorth, Paul H. Korman, Tyler P. Bowie, James U. TI A synthetic biochemistry module for production of bio-based chemicals from glucose SO NATURE CHEMICAL BIOLOGY LA English DT Article ID IN-VITRO; ESCHERICHIA-COLI; SYNTHASE; POLYHYDROXYALKANOATES; BIOTRANSFORMATIONS; OPPORTUNITIES; CHALLENGES; SYSTEMS; ACID); XFP AB Synthetic biochemistry, the cell-free production of biologically based chemicals, is a potentially high-yield, flexible alternative to in vivo metabolic engineering. To limit costs, cell-free systems must be designed to operate continuously with minimal addition of feedstock chemicals. We describe a robust, efficient synthetic glucose breakdown pathway and implement it for the production of bioplastic. The system's performance suggests that synthetic biochemistry has the potential to become a viable industrial alternative. C1 [Opgenorth, Paul H.; Korman, Tyler P.; Bowie, James U.] Univ Calif Los Angeles, Inst Mol Biol, Dept Chem & Biochem, UCLA DOE Inst, Los Angeles, CA 90024 USA. RP Bowie, JU (reprint author), Univ Calif Los Angeles, Inst Mol Biol, Dept Chem & Biochem, UCLA DOE Inst, Los Angeles, CA 90024 USA. EM bowie@mbi.ucla.edu FU US DOE grant [DE-FC02-02ER63421]; ARPA-E grant [DE-AR0000556] FX This work was supported by US DOE grant DE-FC02-02ER63421 and ARPA-E grant DE-AR0000556. NR 23 TC 7 Z9 7 U1 12 U2 22 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 EI 1552-4469 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD JUN PY 2016 VL 12 IS 6 BP 393 EP U29 DI 10.1038/nchembio.2062 PG 4 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DM2EW UT WOS:000376160600006 PM 27065234 ER PT J AU Daylan, T Finkbeiner, DP Hooper, D Linden, T Portillo, SKN Rodd, NL Slatyer, TR AF Daylan, Tansu Finkbeiner, Douglas P. Hooper, Dan Linden, Tim Portillo, Stephen K. N. Rodd, Nicholas L. Slatyer, Tracy R. TI The characterization of the gamma-ray signal from the central Milky Way: A case for annihilating dark matter SO PHYSICS OF THE DARK UNIVERSE LA English DT Article DE Dark matter; Indirect detection; Gamma-rays ID LARGE-AREA TELESCOPE; INSTRUMENT RESPONSE FUNCTIONS; GALACTIC-CENTER; COSMIC-RAYS; FERMI; EMISSION; GALAXY; HALOS; PROPAGATION; CONTRACTION AB Past studies have identified a spatially extended excess of similar to 1-3 GeV gamma rays from the region surrounding the Galactic Center, consistent with the emission expected from annihilating dark matter. We revisit and scrutinize this signal with the intention of further constraining its characteristics and origin. By applying cuts to the Fermi event parameter CTBCORE, we suppress the tails of the point spread function and generate high resolution gamma-ray maps, enabling us to more easily separate the various gamma-ray components. Within these maps, we find the GeV excess to be robust and highly statistically significant, with a spectrum, angular distribution, and overall normalization that is in good agreement with that predicted by simple annihilating dark matter models. For example, the signal is very well fit by a 36-51 GeV dark matter particle annihilating to b (b) over bar with an annihilation cross section of sigma v = (1-3) x10(-26) cm(3)/s (normalized to a local dark matter density of 0.4 GeV/cm(3)). Furthermore, we confirm that the angular distribution of the excess is approximately spherically symmetric and centered around the dynamical center of the Milky Way (within similar to 0.05 degrees of Sgr A*), showing no sign of elongation along the Galactic Plane. The signal is observed to extend to at least similar or equal to 10 degrees from the Galactic Center, which together with its other morphological traits disfavors the possibility that this emission originates from previously known or modeled pulsar populations. (C) 2016 Elsevier B.V. All rights reserved. C1 [Daylan, Tansu; Finkbeiner, Douglas P.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Finkbeiner, Douglas P.; Portillo, Stephen K. N.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Hooper, Dan] Fermilab Natl Accelerator Lab, Theoret Astrophys Grp, POB 500, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Linden, Tim] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Rodd, Nicholas L.; Slatyer, Tracy R.] MIT, Ctr Theoret Phys, Boston, MA USA. [Slatyer, Tracy R.] Inst Adv Study, Sch Nat Sci, Olden Lane, Princeton, NJ 08540 USA. RP Linden, T (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. EM linden.70@osu.edu OI Portillo, Stephen/0000-0001-8132-8056 FU University of Chicago Research Computing Center; NASA Fermi Guest Investigator Program; Department of Energy; NASA through Einstein Postdoctoral Award [PF3-140110]; U.S. Department of Energy [DE-FG02-05ER41360] FX We would like to thank Keith Bechtol, Eric Charles and Alex Drlica-Wagner for their help with the Fermi-LAT likelihood analysis, Oscar Macias-Ramirez and Farhad Yusef-Zadeh for providing the 20 cm templates, and Simona Murgia, Jesse Thaler and Neal Weiner for helpful discussions. We particularly thank Francesca Calore, Ilias Cholis and Christoph Weniger for providing an independent cross-check of some of our sphericity results. We acknowledge the University of Chicago Research Computing Center for providing support for this work. DPF is supported in part by the NASA Fermi Guest Investigator Program, DH is supported by the Department of Energy, and TL is supported by NASA through Einstein Postdoctoral Award Number PF3-140110. TRS is supported by the U.S. Department of Energy under cooperative research agreement Contract Number DE-FG02-05ER41360. NR 103 TC 82 Z9 83 U1 3 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2212-6864 J9 PHYS DARK UNIVERSE JI Phys. Dark Universe PD JUN PY 2016 VL 12 BP 1 EP 23 DI 10.1016/j.dark.2015.12.005 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DK0VZ UT WOS:000374631600001 ER PT J AU Kim, Y Jang, DH Anderson-Cook, CM AF Kim, Youngil Jang, Dae-Heung Anderson-Cook, Christine M. TI Graphical methods for evaluating covering arrays SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article DE orthogonal array; strength; covering array; two-way coverage evaluation matrix; two-way coverage evaluation plot; correlation-based r-plot; two-way coverage evaluation scatterplot matrix; three-way coverage missing region plot; three-way coverage evaluation plot ID OPTIMIZATION; DESIGNS AB Covering arrays relax the condition of orthogonal arrays by only requiring that all combination of levels be covered but not requiring that the appearance of all combination of levels be balanced. This allows for a much larger number of factors to be simultaneously considered but at the cost of poorer estimation of the factor effects. To better understand patterns between sets of columns and evaluate the degree of coverage to compare and select between alternative arrays, we suggest several new graphical methods that show some of the patterns of coverage for different designs. These graphical methods for evaluating covering arrays are illustrated with some examples. Copyright (c) 2015 John Wiley & Sons, Ltd. C1 [Kim, Youngil] Chung Ang Univ, Sch Business & Econ, Seoul, South Korea. [Jang, Dae-Heung] Pukyong Natl Univ, Dept Stat, Busan, South Korea. [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM USA. EM c-and-cook@lanl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0748-8017 EI 1099-1638 J9 QUAL RELIAB ENG INT JI Qual. Reliab. Eng. Int. PD JUN PY 2016 VL 32 IS 4 BP 1467 EP 1481 DI 10.1002/qre.1857 PG 15 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA DK1OB UT WOS:000374681200015 ER PT J AU Bracho, R Natali, S Pegoraro, E Crummer, KG Schadel, C Celis, G Hale, L Wu, LY Yin, HQ Tiedje, JM Konstantinidis, KT Luo, YQ Zhou, JZ Schuur, EAG AF Bracho, Rosvel Natali, Susan Pegoraro, Elaine Crummer, Kathryn G. Schadel, Christina Celis, Gerardo Hale, Lauren Wu, Liyou Yin, Huaqun Tiedje, James M. Konstantinidis, Konstantinos T. Luo, Yiqi Zhou, Jizhong Schuur, Edward A. G. TI Temperature sensitivity of organic matter decomposition of permafrost-region soils during laboratory incubations SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Temperature sensitivity (Q(10)); Tundra; Organic matter decomposition; Carbon pools; GeoChip ID FUNCTIONAL GENE DIVERSITY; MICROBIAL SUBSTRATE USE; LONG-TERM INCUBATION; ARCTIC TUNDRA; CLIMATE-CHANGE; CARBON MINERALIZATION; ALASKAN TUNDRA; COMMUNITY STRUCTURE; WARMING ALTERS; THERMAL STATE AB Permafrost soils contain more than 1300 Pg of carbon (C), twice the amount of C in the atmosphere. Temperatures in higher latitudes are increasing, inducing permafrost thaw and subsequent microbial decomposition of previously frozen C, which will most likely feed back to climate warming through release of the greenhouse gases CO2 and CH4. Understanding the temperature sensitivity (Q(10)) and dynamics of soil organic matter (SOM) decomposition under warming is essential to predict the future state of the climate system. Alaskan tundra soils from the discontinuous permafrost zone were exposed to in situ experimental warming for two consecutive winters, increasing soil temperature by 2.3 degrees C down to 40 cm in the soil profile. Soils obtained at three depths (0-15, 15-25 and 45-55 cm) from the experimental warming site were incubated under aerobic conditions at 15 degrees C and 25 degrees C over 365 days in the laboratory. Carbon fluxes were measured periodically and dynamics of SOM decomposition, C pool sizes, and decay rates were estimated. Q(10) was estimated using both a short-term temperature manipulation (Q(10-ST)) performed at 14,100 and 280 days of incubation and via the equal C method (Q(10-EC), ratio of time taken for a soil to respire a given amount of degrees C), calculated continuously. At the same time points, functional diversities of the soil microbial communities were monitored for all incubation samples using a microbial functional gene array, GeoChip 5.0. Each array contains over 80,000 probes targeting microbial functional genes involved in biogeochemical cycling of major nutrients, remediation strategies, pathogenicity and other important environmental functions. Of these, over 20,000 probes target genes involved in the degradation of varying C substrates and can be used, to quantify the relative gene abundances and functional gene diversities related to soil organic matter turnover. The slow decomposing C pool (C-S), which represented close to 95% of total C in the top 25 cm soils, had a higher Q(10) than the fast decomposing C pool (C-F) and also dominated the total amount of C released by the end of the incubation. Overall, C-S had temperature sensitivities of Q(10-ST) = 2.55 +/- 0.03 and Q(10-EC) = 2.19 +/- 0.13, while the CF had a temperature sensitivity of Q10-EC = 1.16 +/- 0.30. In contrast to the 15 degrees C incubations, the 25 degrees C microbial communities showed reduced diversities of C-degradation functional genes in the early stage of the incubations. However, as the incubations continued the 25 degrees C communities more closely paralleled the 15 degrees C communities with respect to the detection of microbial genes utilized in the degradation of labile to recalcitrant C substrates. Two winter seasons of experimental warming did not affect the dynamics and temperature sensitivity of SOM decomposition or the microbial C-degradation genes during incubation. However, under the projected sustained warming attributable to climate change, we might expect increased contribution of C-S to organic matter decomposition. Because of the higher Q(10) and the large pool size of C-S, increased soil organic matter release under warmer temperatures will contribute towards accelerating climate change. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Bracho, Rosvel; Pegoraro, Elaine; Crummer, Kathryn G.; Schadel, Christina; Celis, Gerardo; Schuur, Edward A. G.] Univ Florida, Dept Biol, Gainesville, FL 32611 USA. [Bracho, Rosvel; Crummer, Kathryn G.] Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. [Natali, Susan] Woods Hole Res Ctr, Falmouth, MA USA. [Pegoraro, Elaine; Schadel, Christina; Schuur, Edward A. G.] No Arizona Univ, Ctr Ecosyst Sci & Soc, Flagstaff, AZ 86011 USA. [Hale, Lauren; Wu, Liyou; Yin, Huaqun; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Wu, Liyou; Yin, Huaqun; Luo, Yiqi; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. [Yin, Huaqun] Cent S Univ, Sch Minerals Proc & Bioengn, Changsha, Hunan, Peoples R China. RP Bracho, R (reprint author), Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. EM rbracho@ufl.edu OI Bracho, Rosvel/0000-0002-8015-9796 FU US Department of Energy, Terrestrial Ecosystem Sciences [DE-SC0006982]; Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program [DE-SC0004601, DE-SC0010715]; National Science Foundation CAREER program [0747195]; National Parks Inventory and Monitoring Program; National Science Foundation Bonanza Creek LTER program [1026415]; National Science Foundation Office of Polar Programs [1203777] FX This study was financially supported by the US Department of Energy, Terrestrial Ecosystem Sciences grant DE-SC0006982 and Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program grants DE-SC0004601 and DE-SC0010715. Other support was provided by the National Science Foundation CAREER program, Award #0747195; National Parks Inventory and Monitoring Program; National Science Foundation Bonanza Creek LTER program, Award #1026415; National Science Foundation Office of Polar Programs, Award #1203777. NR 115 TC 2 Z9 2 U1 53 U2 89 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2016 VL 97 BP 1 EP 14 DI 10.1016/j.soilbio.2016.02.008 PG 14 WC Soil Science SC Agriculture GA DL3EQ UT WOS:000375517400001 ER PT J AU Zhang, W Cui, YH Lu, XK Bai, E He, HB Xie, HT Liang, C Zhang, XD AF Zhang, Wei Cui, Yanhe Lu, Xiankai Bai, Edith He, Hongbo Xie, Hongtu Liang, Chao Zhang, Xudong TI High nitrogen deposition decreases the contribution of fungal residues to soil carbon pools in a tropical forest ecosystem SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Amino sugars; Microbial residues; Soil organic matter; N deposition ID MICROBIAL COMMUNITY; ORGANIC-MATTER; GRASSLAND SOIL; MURAMIC ACID; N DEPOSITION; DECOMPOSITION; PHOSPHORUS; FRACTIONS; RESPONSES; GROWTH AB Soil carbon (C) dynamics are closely mediated by microorganisms and microbial residues could constitute a significant pool of soil organic C (SOC). However, little is known about the nitrogen (N) deposition effect on the contribution of microbial residues to SOC balance in tropical forest ecosystems. Here, we assessed microbial residues using amino sugar biomarkers in surface soils of a tropical forest ecosystem under 11-year continuous N addition at different rates (0, 50, 100 and 150 kg N ha(-1) yr(-1)). Nitrogen addition didn't affect either fungal or bacterial residues in soil apparently, but high-N addition (150 kg N ha(-1) yr(-1)) significantly decreased the contribution of fungal residues to SOC indicated by both ratios of fungal/bacterial amino sugars and fungal residues/SOC. Consequently, high-N addition whittled down microbial contribution to SOC pools. Those findings may have implications for our predictions of global change impacts on soil C dynamics. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Zhang, Wei; Cui, Yanhe; Bai, Edith; He, Hongbo; Xie, Hongtu; Liang, Chao; Zhang, Xudong] Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China. [Lu, Xiankai] Chinese Acad Sci, South China Bot Garden, Key Lab Vegetat Restorat & Management Degraded Ec, Guangzhou 510650, Guangdong, Peoples R China. [Liang, Chao] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Zhang, Xudong] Chinese Acad Sci, Natl Field Observat & Res Stn Shenyang Agroecosys, Shenyang 110016, Peoples R China. [Cui, Yanhe] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. RP He, HB; Zhang, XD (reprint author), Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China. EM hehongbo@iae.ac.cn; xdzhang@iae.ac.cn OI Xie, Hongtu/0000-0002-8640-828X FU National Basic Research Program of China [2014CB954400]; National Natural Science Foundation of China [41571238, 41571237]; "China Soil Microbiome Initiative: Function and regulation of soil-microbial systems" of the Chinese Academy of Sciences [XDB15010303] FX This work was jointly funded by the National Basic Research Program of China (973 Program, No. 2014CB954400), the National Natural Science Foundation of China (No. 41571238, 41571237), and the "China Soil Microbiome Initiative: Function and regulation of soil-microbial systems" of the Chinese Academy of Sciences (No. XDB15010303). NR 36 TC 0 Z9 0 U1 27 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2016 VL 97 BP 211 EP 214 DI 10.1016/j.soilbio.2016.03.019 PG 4 WC Soil Science SC Agriculture GA DL3EQ UT WOS:000375517400022 ER PT J AU Moon, JB Wardrop, DH Bruns, MAV Miller, RM Naithani, KJ AF Moon, Jessica B. Wardrop, Denice H. Bruns, Mary Ann V. Miller, R. Michael Naithani, Kusum J. TI Land-use and land-cover effects on soil microbial community abundance and composition in headwater riparian wetlands SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Phospholipid fatty acids; Riparian wetlands; Land-use and land-cover; Soil condition; Microbial habitats ID PHOSPHOLIPID FATTY-ACID; CHLOROFORM FUMIGATION-EXTRACTION; CENTRAL PENNSYLVANIA WETLANDS; ARBUSCULAR MYCORRHIZAL FUNGI; LOSS-ON-IGNITION; SPATIAL VARIABILITY; BACTERIAL COMMUNITIES; FOREST SOILS; ORGANIC-CARBON; HOT-SPOTS AB Headwater riparian wetlands are relatively small in size but functionally significant as expected hot spots of microbial activity in the landscape. Despite their roles as biogeochemical drivers, little is known about how microbial communities in headwater riparian wetlands are affected by surrounding land-uses and land-covers (LULCs). The primary objective of this study was to determine if and how wetland soil microbial abundance and community composition varied as a function of landscape metrics as mediated through on-site edaphic properties. Forty-two soil samples, collected from eight headwater riparian wetlands in the Ridge and Valley Region of central Pennsylvania, were used for phospholipid fatty acid (PLFA) profiling of soil microbial communities. These samples were used to create microbial habitat models describing plot-level relationships between edaphic properties and microbial measures (i.e., microbial biomarker abundances, ratios and composition). Soil organic matter (SOM) content was a strong predictor of microbial biomarker abundances and fungi/bacteria ratios, while soil pH was a strong predictor of microbial composition (i.e., relative abundance of individual fatty acids) and potential microbial stress indices (i.e., cy19:0418:1 omega 7c and cy17:0/16:1 omega 7c ratios). Soil texture, soil moisture, and litter total nitrogen had smaller, but significant effects in these empirical microbial habitat models. Microbial habitat models were subsequently used to estimate microbial measures for a larger regional headwater riparian wetland dataset (n = 87), where edaphic property information was compiled. Site-average microbial measures were correlated with wetland elevation, and with landscape composition metrics in a landscape assessment area (i.e., 125,664 m(2)). Wetland elevation explained high among-site variability in microbial abundance measures, as mediated through SOM content, in headwater riparian wetlands in forested landscapes. However, wetland elevation was confounded by landscape composition, for headwater riparian wetland in mixed forested-agricultural landscapes. Hydrology, geomorphology, and changes in vegetation could be used to explain SOM variation across wetland elevation and variability in surrounding landscape composition. Microbial composition measures, including the cy19:0/18:1 omega 7c ratio and principal component (PC) axes derived from 23 individual PLFA biomarkers were negatively related to the Landscape Development Intensity (LDI) index, and the percent area of row crops, pastures and grasslands, and positively related to the percent area of forest. The cy17:0/16:1 omega 7c ratio was positively related to the LDI index, and the percent area of pasture and grasslands, and negatively related to the percent area of forest and wetland elevation. Differences along PC axes were most clearly related to the relative abundances of fungal communities; headwater riparian wetland in forested landscapes had significantly higher relative abundances of saprophytic fungi biomarkers, while headwater riparian wetland in mixed landscapes had significantly higher relative abundances of the arbuscular mycorrhizal fungi biomarker. This study highlights the utility of simple landscape metrics, which describe wetland position and landscape composition, for predicting differences in edaphic variability and associated microbial community composition and biomass among headwater riparian wetlands at a regional scale. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Moon, Jessica B.] Penn State Univ, Intercoll Grad Degree Program Ecol, University Pk, PA 16802 USA. [Wardrop, Denice H.] Penn State Univ, Dept Geog, University Pk, PA 16802 USA. [Bruns, Mary Ann V.] Penn State Univ, Dept Ecosyst Sci & Management, University Pk, PA 16802 USA. [Miller, R. Michael] Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Moon, Jessica B.; Naithani, Kusum J.] Univ Arkansas, Dept Biol Sci, Fayetteville, AR 72701 USA. RP Moon, JB (reprint author), Penn State Univ, Intercoll Grad Degree Program Ecol, University Pk, PA 16802 USA.; Moon, JB (reprint author), Univ Arkansas, Dept Biol Sci, Fayetteville, AR 72701 USA. EM jbmoon@me.com; dhw110@psu.edu; mvb10@psu.edu; rmmiller@anl.gov; kusum@uark.edu FU U.S. EPA Science to Achieve Results (STAR) Fellowship Program [FP - 91686701]; Society of Wetland Scientists Student Research Grant Program; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division [DE-AC02-06CH11357]; U.S. EPA FX This work was funded through the U.S. EPA Science to Achieve Results (STAR) Fellowship Program (FP - 91686701) and the Society of Wetland Scientists 2008 Student Research Grant Program. Additional funding for this research was provided by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division under contract DE-AC02-06CH11357 to Argonne National Laboratory Reference collection datasets and personnel support for soil collection and preparation were provided by Robert Brooks, the Director of Riparia, at The Pennsylvania State University (PSU), University Park, PA, U.S.. We thank Brett Dietz and Keith Moon for field and laboratory assistance. We also thank Cheryl Martin who provided training support for PLFA analysis at Argonne National Laboratory, Erica Smithwick for providing use of the Lachat Quik-Chem (R) Analyzer at PSU, Douglas Archibald for use of a freeze drier and muffle furnace at PSU, and Ted DeWitt, Christina Folger, and Walt Nelson at the U.S. EPA Pacific Coast Ecology Branch, Newport, OR, U.S., for providing training and use of the particle size analyzer at their facility. Although funded in part by the U.S. EPA, it has not officially endorsed this paper and the views expressed herein may not reflect the views of the U.S. EPA. NR 180 TC 0 Z9 0 U1 33 U2 82 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2016 VL 97 BP 215 EP 233 DI 10.1016/j.soilbio.2016.02.021 PG 19 WC Soil Science SC Agriculture GA DL3EQ UT WOS:000375517400023 ER PT J AU Morris, AB Ma, Z Pannala, S Hrenya, CM AF Morris, A. B. Ma, Z. Pannala, S. Hrenya, C. M. TI Simulations of heat transfer to solid particles flowing through an array of heated tubes SO SOLAR ENERGY LA English DT Article DE CSP receiver; Granular flow; Conductive heat transfer ID CONCENTRATING SOLAR POWER; MFIX-DEM SOFTWARE; FLUIDIZED-BEDS; GAS; CONDUCTION; SYSTEMS; SPHERES; MODEL AB A novel solar receiver that uses solid particles as a heat transfer fluid is being developed at the National Renewable Energy Laboratory for use in concentrating solar power plants. The prototype considered here is enclosed and contains arrays of hexagonal heat transfer tubes that particles flow between. Discrete element method (DEM) simulations were completed for a laboratory-scale solar receiver for different geometric configurations, hexagon apex angles, particle sizes, and mass flow rates. The heat transfer strongly depends on the particle size, where increased heat transfer is obtained using smaller particles. At higher solids mass flow rates, more particles contact the heat transfer surfaces and the overall heat transfer increases. When a sharper apex angle was used, the particles flow through the receiver at a faster velocity, but the heat transfer decreases because the solids concentration decreases slightly at higher velocities. The DEM simulations show that the heat transfer strongly depends on the solids concentration near the heat transfer surfaces as well as particle size. A new continuum model has recently been developed (Morris et al., 2015) that accounts for both of these effects, and it was previously tested for simple systems. In the current effort, the continuum model was applied to the complex solar receiver and validated via comparison to DEM data. The results indicate that the new continuum model accurately predicts the local heat transfer coefficient and yields an overall heat transfer coefficient with an average error less than 5%. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Morris, A. B.; Hrenya, C. M.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. [Pannala, S.] SABIC Amer, Houston, TX USA. [Ma, Z.] Natl Renewable Energy Lab, Golden, CO USA. RP Hrenya, CM (reprint author), Univ Colorado, Jennie Smoly Caruthers Biotechnol Bldg,UCB 596, Boulder, CO 80309 USA. EM hrenya@colorado.edu OI MORRIS, AARON/0000-0003-1057-5126 FU U.S. DOE BRIDGE program, larger DOE SunShot initiative [DE-EE0005954]; Office of Science of the DOE [DE-AC05-00OR22725]; National Science Foundation [CNS-0821794]; University of Colorado Boulder; University of Colorado Denver; National Center for Atmospheric Research; DOE EERE SunShot Initiative [DE-FOA-0000595] FX The authors would like to acknowledge funding for this work by the U.S. DOE BRIDGE program (Grant No. DE-EE0005954), which is part of the larger DOE SunShot initiative. The simulations in this work were performed using resources at the Oak Ridge Leadership Computing Facility located at Oak Ridge National Laboratory. This computing facility is supported by the Office of Science of the DOE under contract DE-AC05-00OR22725. Simulations were also performed on the Janus supercomputer, which is supported by the National Science Foundation (Award number CNS-0821794), the University of Colorado Boulder, the University of Colorado Denver, and the National Center for Atmospheric Research. The authors would also like to acknowledge Benjamin Grote for helping construct the receiver geometry for use in MFIX. Professor Fan and his research group at The Ohio State University graciously shared there experimental images with us. Their experimental work was funded by the DOE EERE SunShot Initiative via DE-FOA-0000595. NR 33 TC 2 Z9 2 U1 9 U2 16 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 JUN PY 2016 VL 130 BP 101 EP 115 DI 10.1016/j.solener.2016.01.033 PG 15 WC Energy & Fuels SC Energy & Fuels GA DJ7XQ UT WOS:000374426900010 ER PT J AU Beres, M Yu, KM Syzdek, J Mao, SS AF Beres, M. Yu, K. M. Syzdek, J. Mao, S. S. TI Improvement in the electronic quality of pulsed laser deposited CuIn0.7Ga0.3Se2 thin films via post-deposition elemental sulfur annealing process SO THIN SOLID FILMS LA English DT Article DE Cu(In,Ga)(Se,S)(2) absorber; Pulsed laser deposition; Elemental sulfur annealing; Hall effect; Raman spectroscopy; Rutherford backscattering ID ELECTRICAL-PROPERTIES; CUINSE2; CU(IN,GA)SE-2; MODEL AB We synthesized CuIn0.7Ga0.3Se2 thin films on soda lime glass substrates using pulsed laser deposition and post-annealing under different conditions. Increasing substrate temperature during deposition and vacuum annealing after deposition both increased grain size but had negligible effect on the electronic properties of the films. As-deposited films demonstrated P-type conductivities with high carrier concentrations and low Hall mobilities, but annealing in elemental sulfur environment significantly improved the electronic properties of the films. We found that the incorporation of even small quantities of sulfur into the films reduced carrier concentrations by over three orders of magnitude and increased Hall mobilities by an order of magnitude. This resulted in films with resistivity similar to 5 Omega . cm suitable for photovoltaic applications. (C) 2016 Elsevier B.V. All rights reserved. C1 [Beres, M.; Mao, S. S.] Univ Calif Berkeley, Dept Mech Engn, 6141 Etcheverry Hall, Berkeley, CA 94720 USA. [Beres, M.; Yu, K. M.; Syzdek, J.; Mao, S. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Yu, K. M.] City Univ Hong Kong, Dept Phys & Mat Sci, 83 Tat Chee Ave, Kowloon, Hong Kong, Peoples R China. [Syzdek, J.] Biol USA, 9050 Executive Pk Dr NW, Knoxville, TN 37923 USA. RP Beres, M (reprint author), Univ Calif Berkeley, Dept Mech Engn, 6141 Etcheverry Hall, Berkeley, CA 94720 USA. EM matthewcberes@gmail.com; kinmanyu@cityu.edu.hk; jego.mejl@gmail.com; ssmao@me.berkeley.edu FU U.S. Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX M.B. was supported by the U.S. Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program. The RBS, SEM and electrical characterization were 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. Thanks to Robert Kostecki for his assistance with spatially-mapped Raman measurements; to Oscar D. Dubon and Jose J. Fonseca for their assistance with supporting Raman measurements of vacuum annealed samples; and to J. Matthew Lucas for his assistance with KCN-etching of the samples. NR 28 TC 0 Z9 0 U1 3 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUN 1 PY 2016 VL 608 BP 50 EP 56 DI 10.1016/j.tsf.2016.04.019 PG 7 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA DL2TO UT WOS:000375488300008 ER PT J AU Singh, H Ramirez, G Eryilmaz, O Greco, A Doll, G Erdemir, A AF Singh, Harpal Ramirez, Giovanni Eryilmaz, Osman Greco, Aaron Doll, Gary Erdemir, Ali TI Fatigue resistant carbon coatings for rolling/sliding contacts SO TRIBOLOGY INTERNATIONAL LA English DT Article DE Fatigue; Micropitting; Coating; DLC ID SUPERLOW FRICTION; RAMAN-SPECTRA; PERFORMANCE; BEARINGS; FILMS; INITIATION; SURFACE; DAMAGE; GEARS; WEAR AB The growing demands for renewable energy production have recently resulted in a significant increase in wind plant installation. Field data from these plants show that wind turbines suffer from costly repair, maintenance and high failure rates. Often times the reliability issues are linked with tribological components used in wind turbine drivetrains. The primary failure modes in bearings and gears are associated with micropitting, wear, brinelling, scuffing, smearing and macropitting all of which occur at or near the surface. Accordingly, a variety of surface engineering approaches are currently being considered to alter the near surface properties of such bearings and gears to prevent these tribological failures. In the present work, we have evaluated the tribological performance of compliant highly hydrogenated diamond like carbon coating developed at Argonne National Laboratory, under mixed rolling/sliding contact conditions for wind turbine drivetrain components. The coating was deposited on AISI 52100 steel specimens using a magnetron sputter deposition system. The experiments were performed on a PCS Micro-Pitting-Rig (MPR) with four material pairs at 1.79 GPa contact stress, 40% slide to roll ratio and in polyalphaolefin (PAO4) basestock oil (to ensure extreme boundary conditions). The post-test analysis was performed using optical microscopy, surface profilometry, and Raman spectroscopy. The results obtained show a potential for these coatings in sliding/rolling contact applications as no failures were observed with coated specimens even after 100 million cycles compared to uncoated pair in which they failed after 32 million cycles, under the given test conditions. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Singh, Harpal; Ramirez, Giovanni; Eryilmaz, Osman; Greco, Aaron; Erdemir, Ali] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Singh, Harpal] Univ Akron, Dept Mech Engn, Akron, OH 44325 USA. [Singh, Harpal; Doll, Gary] Univ Akron, Timken Engn Surface Labs, Akron, OH 44325 USA. RP Erdemir, A (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM erdemir@anl.gov OI Singh, Harpal/0000-0002-8726-2876; Greco, Aaron/0000-0002-2189-0888; RAMIREZ, GIOVANNI/0000-0003-0985-1605 FU U.S. Dept. of Energy Office of Energy Efficiency, and Renewable Energy (EERE); Vehicle Technology Office; Wind and Water Power Technology Office; Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX Funding provided by U.S. Dept. of Energy Office of Energy Efficiency, and Renewable Energy (EERE), Vehicle Technology Office and Wind and Water Power Technology Office. The Raman spectroscopy was performed at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract no. DE-AC02-06CH11357. NR 32 TC 2 Z9 2 U1 12 U2 30 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-679X EI 1879-2464 J9 TRIBOL INT JI Tribol. Int. PD JUN PY 2016 VL 98 BP 172 EP 178 DI 10.1016/j.triboint.2016.02.008 PG 7 WC Engineering, Mechanical SC Engineering GA DJ7XH UT WOS:000374426000018 ER PT J AU Wang, D Epling, B Nova, I Szanyi, J AF Wang, Di Epling, Bill Nova, Isabella Szanyi, Janos TI Advances in Automobile Emissions Control Catalysis Preface SO CATALYSIS TODAY LA English DT Editorial Material C1 [Wang, Di] Cummins Inc, Catalyst Technol & Integrat, Res & Technol, Columbus, IN USA. [Epling, Bill] Univ Houston, Chem Engn, Houston, TX 77004 USA. [Nova, Isabella] Politecn Milan, Dipartimento Energia, Lab Catalysis & Catalyt Proc, Milan, Italy. [Szanyi, Janos] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Wang, D (reprint author), Cummins Inc, Catalyst Technol & Integrat, Res & Technol, Columbus, IN USA. EM wang.di@cummins.com; wsepling@central.uh.edu; isabella.nova@polimi.it; janos.szanyi@pnnl.gov NR 0 TC 0 Z9 0 U1 10 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2016 VL 267 BP 1 EP 2 DI 10.1016/j.cattod.2016.04.001 PG 2 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DK6KT UT WOS:000375033300001 ER PT J AU Chen, HY Wei, ZH Kollar, M Gao, F Wang, YL Szanyi, J Peden, CHF AF Chen, Hai-Ying Wei, Zhehao Kollar, Marton Gao, Feng Wang, Yilin Szanyi, Janos Peden, Charles H. F. TI NO oxidation on zeolite supported Cu catalysts: Formation and reactivity of surface nitrates SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 24th North American Meeting (NAM) of the North-American-Catalysis-Society CY JUN 14-19, 2015 CL Pittsburgh, PA SP N Amer Catalysis Soc DE Zeolite supported Cu catalysts; Selective catalytic reduction of NOx; NO oxidation; NO oxidation to NO2; Surface nitrate groups; SCR reaction mechanisms ID IN-SITU DRIFTS; SCR CATALYSTS; NITROGEN-OXIDES; REDUCTION; CU-SSZ-13; AMMONIA; IDENTIFICATION; CU-ZSM-5; NH3-SCR; NH3 AB The comparative activities of a small-pore Cu-CHA and a large-pore Cu-BEA catalyst for the selective catalytic reduction (SCR) of NOx with NH3, and for the oxidation of NO to NO2 and the subsequent formation of surface nitrates were investigated. Although both catalysts are highly active in SCR reactions, they exhibit very low NO oxidation activity. Furthermore, Cu-CHA is even less active than Cu-BEA in catalyzing NO oxidation but is clearly more active for SCR reactions. Temperature-programed desorption (TPD) experiments following the adsorption of (NO2 + NO + O-2) with different NO2:NO ratios reveal that the poor NO oxidation activity of the two catalysts is not due to the formation of stable surface nitrates. On the contrary, NO is found to reduce and decompose the surface nitrates on both catalysts. To monitor the reaction pathways, isotope exchange experiments were conducted by using (NO)-N-15 to react with N-14-nitrate covered catalyst surfaces. The evolution of FTIR spectra during the isotope exchange process demonstrates that N-14-nitrates are simply displaced with no formation of N-15-nitrates on the Cu-CHA sample, which is clearly different from that observed on the Cu-BEA sample where formation of N-15-nitrates is apparent. The results suggest that the formal oxidation state of N during the NO oxidation on Cu-CHA mainly proceeds from its original +2 to a +3 oxidation state, whereas reaching a higher oxidation state for N, such as +4 or +5, is possible on Cu-BEA. (C) 2016 Elsevier B.V. All rights reserved. C1 [Chen, Hai-Ying] Johnson Matthey Inc, Emiss Control Technol, Wayne, PA 19087 USA. [Wei, Zhehao; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. [Wei, Zhehao] Johnson Matthey Inc, Emiss Control Technol, Audubon, PA 19403 USA. RP Chen, HY (reprint author), Johnson Matthey Inc, Emiss Control Technol, Wayne, PA 19087 USA.; Peden, CHF (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. EM chenh@jmusa.com; chuck.peden@pnnl.gov FU US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office; DOE's Office of Biological and Environmental Research; Johnson Matthey; PNNL FX HYC is grateful to Johnson Matthey for the support of this collaborative work, and to PNNL for an Alternate Sponsored Fellowship. The authors at PNNL gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle. NR 32 TC 0 Z9 0 U1 19 U2 53 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2016 VL 267 BP 17 EP 27 DI 10.1016/j.cattod.2015.11.039 PG 11 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DK6KT UT WOS:000375033300004 ER PT J AU Brookshear, DW Pihl, JA Toops, TJ West, B Prikhodko, V AF Brookshear, D. William Pihl, Josh A. Toops, Todd J. West, Brian Prikhodko, Vitaly TI The selective catalytic reduction of NOx over Ag/Al2O3 with isobutanol as the reductant SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 24th North American Meeting (NAM) of the North-American-Catalysis-Society CY JUN 14-19, 2015 CL Pittsburgh, PA SP N Amer Catalysis Soc DE Isobutanol; Hydrocarbon SCR; Ag/Al2O3 ID ALUMINA-SUPPORTED SILVER; IN-SITU DRIFTS; LOW-TEMPERATURES; HC-SCR; ETHANOL; MECHANISM; HYDROGEN; FUEL; SILVER/ALUMINA; HYDROCARBONS AB This study investigates the potential of isobutanol (iBuOH) as a reductant for the selective catalytic reduction (SCR) of NOx over 2 wt% Ag/Al2O3 between 150 and 550 degrees C and gas hourly space velocities (GHSV) between 10,000 and 35,000 h(-1). The feed gas consists of 500 ppm NO, 5% H2O, 10% O-2, and 375-1500 ppm iBuOH (C-1:N ratios of 312); additionally, blends of 24 and 48% v/v iBuOH in gasoline are evaluated. Over 90% NOx conversion is achieved between 300 and 400 degrees C using pure iBuOH, including a 40% peak selectivity toward NH3 that could be utilized in a dual HC/NH3-SCR configuration. The iBuOH/gasoline blends are only able to achieve greater than 90% NOx conversion when operated at a GHSV of 10,000 h(-1) and employing a C-1:N ratio of 12. Iso-butyraldehyde and NO2 appear to function as intermediates in the iBuOH-SCR mechanism, which mirrors the mechanism observed for EtOH-SCR. In general, the performance of iBuOH in the SCR of NOx over a Ag/Al2O3 catalyst is comparable with that of EtOH, although EtOH/gasoline blends display higher NOx reduction than iBuOH/gasoline blends. The key parameter in employing alcohols in SCR appears to be the Csingle bondOH:N ratio rather than the C-1:N ratio. (C) 2016 Elsevier B.V. All rights reserved. C1 [Brookshear, D. William; Pihl, Josh A.; Toops, Todd J.; West, Brian; Prikhodko, Vitaly] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Brookshear, DW (reprint author), Cherahala Blvd, Knoxville, TN 37932 USA. EM brooksheardw@ornl.gov OI Brookshear, Daniel/0000-0003-1259-4347 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office FX The research was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. The authors gratefully acknowledge the support and guidance of program manager Kevin Stork at DOE. NR 42 TC 0 Z9 0 U1 11 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2016 VL 267 BP 65 EP 75 DI 10.1016/j.cattod.2016.01.034 PG 11 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DK6KT UT WOS:000375033300009 ER PT J AU Wong, AP Kyriakidou, EA Toops, TJ Regalbuto, JR AF Wong, Andrew P. Kyriakidou, Eleni A. Toops, Todd J. Regalbuto, John R. TI The catalytic behavior of precisely synthesized Pt-Pd bimetallic catalysts for use as diesel oxidation catalysts SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 24th North American Meeting (NAM) of the North-American-Catalysis-Society CY JUN 14-19, 2015 CL Pittsburgh, PA SP N Amer Catalysis Soc DE Strong electrostatic adsorption; Bimetallic; Pt-Pd; Pt; Pd; Diesel oxidation catalyst; NO ID CO OXIDATION; STRUCTURAL-CHARACTERIZATION; AUTOMOTIVE CATALYSTS; PROPANE COMBUSTION; THERMAL-STABILITY; CARBON-MONOXIDE; NO OXIDATION; PLATINUM; PALLADIUM; DISPERSION AB The demands of stricter diesel engine emission regulations have created challenges for current exhaust systems. With advances in low-temperature internal combustion engines and their operations, advances must also be made in vehicle exhaust catalysts. Most current diesel oxidation catalysts use heavy amounts of precious group metals (PGMs) for hydrocarbon (HC), CO, and NO oxidation. These catalysts are expensive and are most often synthesized with poor bimetallic interaction and dispersion. The goal of this work was to study the effect of aging on diesel emission abatement of Pt-Pd bimetallic nanoparticles precisely prepared with different morphologies: well dispersed core-shell vs. well dispersed homogeneously alloyed vs. poorly dispersed, poorly alloyed particles. Alumina and silica supports were studied. Particle morphology and dispersion were analyzed before and after hydrothermal treatments by XRD, EDX, and STEM. Reactivity as a function of aging was measured in simulated diesel engine exhaust. While carefully controlled bimetallic catalyst nanoparticle structure has a profound influence on initial or low temperature catalytic activity, the differences in behavior disappear with higher temperature aging as thermodynamic equilibrium is achieved. The metallic character of Pt-rich alumina-supported catalysts is such that behavior rather closely follows the Pt-Pd metal phase diagram. Nanoparticles disparately composed as well-dispersed core-shell (via seq-SEA), well-dispersed homogeneously alloyed (via co SEA), and poorly dispersed, poorly alloyed (via co-DI) end up as well alloyed, large particles of almost the same size and activity. With Pd-rich systems, the oxidation of Pd also figures into the equilibrium, such that Pd-rich oxide phases appear in the high temperature forms along with alloyed metal cores. The small differences in activity after high temperature aging can be attributed to the synthesis methods, sequential SEA and co-DI which give rise, after aging, to a bimetallic surface enriched in Pd. (C) 2016 Published by Elsevier B.V. C1 [Kyriakidou, Eleni A.; Toops, Todd J.] Oak Ridge Natl Lab, FEERC, Knoxville, TN 37932 USA. [Wong, Andrew P.; Regalbuto, John R.] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. RP Regalbuto, JR (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. EM regalbuj@cec.sc.edu RI Kyriakidou, Eleni/H-9785-2016; OI Kyriakidou, Eleni/0000-0003-1094-0162; Regalbuto, John/0000-0002-5785-0749 FU National Science Foundation [CBET-1160036]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program; Center of Catalysis for Renewable Fuels (CReF) at the University of South Carolina; Nation Science Foundation; U.S. Department of Energy [DE-AC05-00OR22725] FX The support of the National Science Foundation, grant CBET-1160036, is gratefully acknowledged. A portion of this research was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, the Center of Catalysis for Renewable Fuels (CReF) at the University of South Carolina, and the Nation Science Foundation. The authors wish to express their gratitude to program managers Ken How den and Gurpreet Singh for their support. This manuscript has been co-authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The authors would also like to thank Dr. Alan Nicholls at UIC for acquisition of STEM images and elemental maps. NR 43 TC 1 Z9 1 U1 29 U2 82 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2016 VL 267 BP 145 EP 156 DI 10.1016/j.cattod.2016.02.011 PG 12 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DK6KT UT WOS:000375033300016 ER PT J AU Prikhodko, VY Parks, JE Pihl, JA Toops, TJ AF Prikhodko, Vitaly Y. Parks, James E. Pihl, Josh A. Toops, Todd J. TI Passive SCR for lean gasoline NOX control: Engine-based strategies to minimize fuel penalty associated with catalytic NH3 generation SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 24th North American Meeting (NAM) of the North-American-Catalysis-Society CY JUN 14-19, 2015 CL Pittsburgh, PA SP N Amer Catalysis Soc DE Passive SCR; TWC; Lean NOX reduction; NH3 formation ID AMMONIA FORMATION; NITROUS-OXIDE; PALLADIUM CATALYSTS; EMISSION CONTROL; REDUCTION; PLATINUM; RHODIUM; TWC; N2O AB Lean gasoline engines offer greater fuel economy than common stoichiometric gasoline engines. However, excess oxygen prevents the use of the current three-way catalyst (TWC) to control nitrogen oxide (NOx) emissions in lean exhaust. A passive SCR concept, introduced by General Motors Global R&D, makes use of a TWC that is already onboard to generate NH3 under slightly rich conditions, which is stored on the downstream SCR. The stored NH3 is then used to reduce NOx emissions when the engine switches to lean operation. In this work, the effect of engine parameters, such as air-fuel equivalence ratio and spark timing, on NH3 generation over a commercial Pd-only TWC with no dedicated oxygen storage component was evaluated on a 2.0-liter BMW lean burn gasoline direct injection engine. NOx reduction, NH3 formation, and reductant utilization processes were evaluated, and fuel efficiency was assessed and compared to the stoichiometric engine operation case. Air-fuel equivalence ratio was found to be one of the most important parameters in controlling the NH3 production; however, the rich operation necessary for NH3 production results in a fuel consumption penalty. The fuel penalty can be minimized by adjusting spark timing to increase rich-phase engine out NOx emissions and, thereby, NH3 levels. Additionally, higher engine out NOx during engine load increase to simulate acceleration resulted in additional fuel savings. A 10% fuel consumption benefit was achieved with the passive SCR approach by optimizing rich air-fuel equivalence ratio and spark timing while also utilizing acceleration load conditions. (C) 2016 Elsevier B.V. All rights reserved. C1 [Prikhodko, Vitaly Y.; Parks, James E.; Pihl, Josh A.; Toops, Todd J.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. RP Prikhodko, VY (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM prikhodkovy@ornl.gov; parksjeii@ornl.gov; pihlja@ornl.gov; toopstj@ornl.gov FU U.S. Department of Energy, Vehicle Technologies Program FX This research was supported by the U.S. Department of Energy, Vehicle Technologies Program. The authors thank program manager Gurpreet Singh, Ken Howden, and Leo Breton for their support and guidance. The authors also thank their colleagues Wei Li and Kushal Narayanaswamy of General Motors and Ken Price, Chris Owens and Davion Clark of Umicore for valuable discussion and guidance in parts of this work. NR 33 TC 1 Z9 1 U1 6 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2016 VL 267 BP 202 EP 209 DI 10.1016/j.cattod.2016.01.026 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DK6KT UT WOS:000375033300021 ER PT J AU Chen, KP Tang, J Chen, Y AF Chen, Kepi Tang, Jing Chen, Yan TI Compositional inhomogeneity and segregation in (K0.5Na0.5)NbO3 ceramics SO CERAMICS INTERNATIONAL LA English DT Article DE Lead-free piezoelectric; Compositional inhomogeneity; Compositional segregation; Liquid phase sintering; Potassium-sodium niobate; Calcination temperature ID LEAD-FREE PIEZOCERAMICS; FREE PIEZOELECTRIC MATERIALS; POWDERS; NIOBATE; K0.5NA0.5NBO3; TEMPERATURE AB In this report, the effects of the calcination temperature of (Ka(0.5)Na(0.5))NbO3 (KNN) powder on the sintering and piezoelectric properties of KNN ceramics have been investigated. KNN powders are synthesized via the solid-state approach. Scanning electron microscopy and X-ray diffraction characterizations indicate that the incomplete reaction at 700 degrees C and 750 degrees C calcination results in the compositional in-homogeneity of the K-rich and Na-rich phases while the orthorhombic single phase is obtained after calcination at 900 degrees C. During the sintering, the presence of the liquid K-rich phase due to the lower melting point has a significant impact on the densification, the abnormal grain growth and the deteriorated piezoelectric properties. From the standpoint of piezoelectric properties, the optimal calcination temperature obtained for KNN ceramics calcined at this temperature is determined to be 800 degrees C, with piezoelectric constant d(33)=128.3 pC/N, planar electromechanical coupling coefficient k(p)=32.2%, mechanical quality factor Q(m)=88, and dielectric loss tan delta=2.1%. (C) 2016 Elsevier Ltd and Techna Group S.r.l. All rights reserved. C1 [Chen, Kepi; Tang, Jing] North China Elect Power Univ, Sch Energy Power & Mech Engn, Beijing 102206, Peoples R China. [Chen, Yan] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Chen, KP (reprint author), North China Elect Power Univ, Sch Energy Power & Mech Engn, Beijing 102206, Peoples R China. EM ckp@ncepu.edu.cn RI Chen, Kepi/F-9807-2010; Chen, Yan/H-4913-2014 OI Chen, Kepi/0000-0003-2575-4477; Chen, Yan/0000-0001-6095-1754 FU National Natural Science Foundation of China [21371056, 51372202]; Fundamental Research Funds for the Central Universities [2015ZZD04]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX This work was supported by the National Natural Science Foundation of China (Grant no. 21371056 and 51372202) and the Fundamental Research Funds for the Central Universities (Grant no. 2015ZZD04). Y. Chen acknowledges the support from the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 28 TC 0 Z9 1 U1 10 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0272-8842 EI 1873-3956 J9 CERAM INT JI Ceram. Int. PD JUN PY 2016 VL 42 IS 8 BP 9949 EP 9954 DI 10.1016/j.ceramint.2016.03.096 PG 6 WC Materials Science, Ceramics SC Materials Science GA DK3IZ UT WOS:000374811600082 ER PT J AU Piro, MHA Simunovic, S AF Piro, M. H. A. Simunovic, S. TI Global optimization algorithms to compute thermodynamic equilibria in large complex systems with performance considerations SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Gibbs energy minimization; Necessary and sufficient conditions; Global optimization; Global minimum ID PHASE-DIAGRAM CALCULATION; CHEMICAL-EQUILIBRIUM; MULTIPHASE SYSTEMS; NUCLEAR-FUEL; IMPLEMENTATION; EQUATIONS; STRATEGY; SEARCH AB Several global optimization methods are reviewed that attempt to ensure that the integral Gibbs energy of a closed isothermal isobaric system is a global minimum to satisfy the necessary and sufficient conditions for thermodynamic equilibrium. In particular, the integral Gibbs energy function of a multicomponent system containing non-ideal phases may be highly non-linear and non-convex, which makes finding a global minimum a challenge. Consequently, a poor numerical approach may lead one to the false belief of equilibrium. Furthermore, confirming that one reaches a global minimum and that this is achieved with satisfactory computational performance becomes increasingly more challenging in systems containing many chemical elements and a correspondingly large number of species and phases. Several numerical methods that have been used for this specific purpose are reviewed with a benchmark study of three of the more promising methods using five case studies of varying complexity. A modification of the conventional Branch and Bound method is presented that is well suited to a wide array of thermodynamic applications, including complex phases with many constituents and sublattices, and ionic phases that must adhere to charge neutrality constraints. Also, a novel method is presented that efficiently solves the system of linear equations that exploits the unique structure of the Hessian matrix, which reduces the calculation from a O(N-3) operation to a O(N) operation. This combined approach demonstrates efficiency, reliability and capabilities that are favorable for integration of thermodynamic computations into multi-physics codes with inherent performance considerations. (C) 2016 Elsevier B.V. All rights reserved. C1 [Piro, M. H. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Simunovic, S.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Piro, MHA (reprint author), Canadian Nucl Labs, Chalk River, ON, Canada. EM markuspiro@gmail.com FU Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program under the Advanced Modeling and Simulation Office (AMSO) in the Nuclear Energy Office in the U.S. Department of Energy FX This work was funded by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program under the Advanced Modeling and Simulation Office (AMSO) in the Nuclear Energy Office in the U.S. Department of Energy. NR 33 TC 2 Z9 2 U1 4 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JUN 1 PY 2016 VL 118 BP 87 EP 96 DI 10.1016/j.commatsci.2016.02.043 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA DK6XR UT WOS:000375069600011 ER PT J AU Zhang, LP Liu, B Zhuang, HL Kent, PRC Cooper, VR Ganesh, P Xu, HX AF Zhang, Lipeng Liu, Bin Zhuang, Houlong Kent, P. R. C. Cooper, Valentino R. Ganesh, P. Xu, Haixuan TI Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE DFT method; Perovskite structure; Oxygen vacancy; Diffusion energy barrier; Boundary condition ID ELECTRONIC-STRUCTURE; CUBIC SRTIO3; SIMULATIONS; PEROVSKITES; POINTS AB Point defects and their diffusion contribute significantly to the properties of perovskite materials. However, even for the prototypical case of oxygen vacancies in SrTiO3 (STO), the predictions of oxygen vacancy activity vary widely. Here we present a comprehensive and systematic study of the diffusion barriers in bulk STO. Using density functional theory (DFT), we assess the role of different supercell sizes, density functionals, and charge states. Our results show that vacancy-induced octahedral rotations, which are limited by the boundary conditions of the supercell, can significantly affect the computed oxygen vacancy diffusion energy barrier. In addition, we find that the diffusion energy barrier of a charged oxygen vacancy is lower than that of a neutral one. This difference is magnified in small supercells. We demonstrate that with increasing supercell size, the effects of the oxygen vacancy charge state and the type of DFT exchange and correlation functional diminish, and all DFT predicted migration energy barriers asymptote to a range of 0.39-0.49 eV, which is smaller than the reported experimental values. This work provides important insights and guidance that should be considered for investigations of point defect diffusion in perovskite materials and in oxide superlattices. (C) 2016 Elsevier B.V. All rights reserved. C1 [Zhang, Lipeng; Liu, Bin; Xu, Haixuan] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhuang, Houlong; Kent, P. R. C.; Ganesh, P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Kent, P. R. C.] Oak Ridge Natl Lab, Div Math & Comp Sci, Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Cooper, Valentino R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Xu, HX (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM xhx@utk.edu RI Zhuang, Houlong/D-8801-2014; Kent, Paul/A-6756-2008; Cooper, Valentino /A-2070-2012; Liu, Bin/N-9955-2014 OI Zhuang, Houlong/0000-0002-3845-4601; Kent, Paul/0000-0001-5539-4017; Cooper, Valentino /0000-0001-6714-4410; FU University of Tennessee (UT) Science Alliance Joint Directed Research and Development Program; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; National Institute for Computational Sciences at UT [UT-TENN0112]; DOE Office of Science [DE-AC02-05CH11231]; National Energy Research Scientific Computing Center FX This research is sponsored by The University of Tennessee (UT) Science Alliance Joint Directed Research and Development Program (LZ and HX) and the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (VRC, HZ, PG, and PRCK), managed by UT-Battelle, LLC, for the US Department of Energy (DOE); this research used resources of The National Institute for Computational Sciences at UT under contract UT-TENN0112 and the National Energy Research Scientific Computing Center, which is supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231. NR 42 TC 2 Z9 2 U1 11 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JUN 1 PY 2016 VL 118 BP 309 EP 315 DI 10.1016/j.commatsci.2016.02.041 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA DK6XR UT WOS:000375069600035 ER PT J AU Sperling, J Romero-Lankao, P Beig, G AF Sperling, Joshua Romero-Lankao, Patricia Beig, Gufran TI Exploring citizen infrastructure and environmental priorities in Mumbai, India SO ENVIRONMENTAL SCIENCE & POLICY LA English DT Article DE Sustainable urbanization; Priorities; Infrastructure; Environment; Equity ID CLIMATE-CHANGE ADAPTATION; INSTITUTIONAL CAPACITY; SOCIAL EQUITY; SUSTAINABILITY; HEALTH; CITIES; CITY; IMPACTS; CHINA AB Many cities worldwide seek to understand local policy priorities among their general populations. This study explores how differences in local conditions and among citizens within and across Mumbai, India shape local infrastructure (e.g. energy, water, transport) and environmental (e.g. managing pollution, climate-related extreme weather events) policy priorities for change that may or may not be aligned with local government action or global environmental sustainability concerns such as low-carbon development. In this rapidly urbanizing city, multiple issues compete for prominence, ranging from improved management of pollution and extreme weather to energy and other infrastructure services. To inform a broader perspective of policy priorities for urban development and risk mitigation, a survey was conducted among over 1200 citizens. The survey explored the state of local conditions, the challenges citizens face, and the ways in which differences in local conditions (socio-institutional, infrastructure, and health-related) demonstrate inequities and influence how citizens perceive risks and rank priorities for the future design and implementation of local planning, policy, and community-based efforts. With growing discussion and tensions surrounding the new urban sustainable development goal, announced by the UN in late September 2015, and a new global urban agenda document to be agreed upon at 'Habitat III', issues on whether sustainable urbanization priorities should be set at the international, national or local level remain controversial. As such, this study aims to first understand determinants of and variations in local priorities across one city, with implications discussed for local-to-global urban sustainability. Findings from survey results indicate the determinants and variation in conditions such as age, assets, levels of participation in residential action groups, the health outcome of chronic asthma, and the infrastructure service of piped water provision to homes are significant in shaping the top infrastructure and environmental policy priorities that include water supply and sanitation, air pollution, waste, and extreme heat. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Sperling, Joshua; Romero-Lankao, Patricia] Natl Ctr Atmospher Res, Urban Futures, POB 3000, Boulder, CO 80307 USA. [Beig, Gufran] Indian Inst Trop Meteorol, Dr Homi Bhabha Rd, Pune 411004, Maharashtra, India. [Sperling, Joshua] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Sperling, J (reprint author), Natl Ctr Atmospher Res, Urban Futures, POB 3000, Boulder, CO 80307 USA.; Sperling, J (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM joshuabsperling@gmail.com; prlankao@ucar.edu; beig@tropmet.res.in FU NSF PIRE Award [1243535] FX This research was supported by funding from the NSF PIRE Award #1243535. Survey support from Dr. Gufran Beig's team and students at IITM was invaluable. The authors would also like to acknowledge anonymous reviewers for their useful suggestions and comments. NR 58 TC 0 Z9 0 U1 13 U2 35 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1462-9011 EI 1873-6416 J9 ENVIRON SCI POLICY JI Environ. Sci. Policy PD JUN PY 2016 VL 60 BP 19 EP 27 DI 10.1016/j.envsci.2016.02.006 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA DK3EX UT WOS:000374800900003 ER PT J AU Cuadra, J Baxevanakis, KP Loghin, A Kontsos, A AF Cuadra, J. Baxevanakis, K. P. Loghin, A. Kontsos, A. TI Validation of a cyclic plasticity computational method using fatigue full-field deformation measurements SO FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES LA English DT Article DE digital image correlation; cyclic plasticity; fatigue crack growth; validation ID DIGITAL IMAGE CORRELATION; AZ31 MAGNESIUM ALLOY; FINITE-ELEMENT ANALYSIS; CRACK-PROPAGATION LAW; BEHAVIOR; CLOSURE; DAMAGE; IDENTIFICATION; EVOLUTION; MODEL AB The evolution of crack tip displacement and strain fields during uniaxial, room temperature, low-cycle fatigue experiments of Nickel superalloy compact tension specimens was measured by a digital image correlation approach and was further used to validate a cyclic plasticity model and corresponding deformation calculations made by a finite elements methodology. The experimental results provided data trends for the opening displacements and near crack tip strains as function of cycles. A finite element model was developed to capture test conditions for a measured crack size. The model captures crack tip plasticity by using a constitutive model calibrated against stress-strain measurements performed on a round bar. Similar quantities were extracted from the model predictions to compare with the digital image correlation measurements for model validation purposes. This type of direct comparison demonstrated that the computational model was capable to adequately capture the crack opening displacements at various stages of the specimen's fatigue life, providing in this way a tool for quantitative cyclic plasticity model validation. In addition, this integrated experimental-computational approach provides a framework to accelerate our understanding related to interactions of fatigue test data and models, as well as ways to inform one another. C1 [Cuadra, J.] Lawrence Livermore Natl Lab, Nondestruct Characterizat Inst, POB 808 L-229, Livermore, CA 94551 USA. [Baxevanakis, K. P.; Kontsos, A.] Drexel Univ, Mech Engn & Mech Dept, Theoret & Appl Mech Grp, Philadelphia, PA 19104 USA. [Loghin, A.] Gen Elect GRC, Lifing Technol Lab, Niskayuna, NY USA. RP Kontsos, A (reprint author), Drexel Univ, Mech Engn & Mech Dept, Theoret & Appl Mech Grp, Philadelphia, PA 19104 USA. EM akontsos@coe.drexel.edu RI Baxevanakis, Konstantinos/H-3628-2015 OI Baxevanakis, Konstantinos/0000-0002-4826-3454 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors greatly acknowledge the members of the Theoretical & Applied Mechanics Group at Drexel University for the assistance in obtaining all experimental results presented in this paper. In addition, part of the analysis of the Digital Image Correlation results was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Finally, the authors gratefully acknowledge the support from Tim Hanlon, GE GRC, for guidance in designing the fatigue crack growth testing plan and to Andy Powell, GE Aviation, for providing the material used to conduct the experimental portion of this research. NR 60 TC 0 Z9 0 U1 2 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 8756-758X EI 1460-2695 J9 FATIGUE FRACT ENG M JI Fatigue Fract. Eng. Mater. Struct. PD JUN PY 2016 VL 39 IS 6 SI SI BP 722 EP 736 DI 10.1111/ffe.12396 PG 15 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA DK6PJ UT WOS:000375046100007 ER PT J AU Spear, AD Hochhalter, JD Cerrone, AR Li, SF Lind, JF Suter, RM Ingraffea, AR AF Spear, A. D. Hochhalter, J. D. Cerrone, A. R. Li, S. F. Lind, J. F. Suter, R. M. Ingraffea, A. R. TI A method to generate conformal finite-element meshes from 3D measurements of microstructurally small fatigue-crack propagation SO FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES LA English DT Article DE aluminium; multiscale modelling; numerical simulation; short crack propagation; X-ray diffraction ID X-RAY-DIFFRACTION; ZN-MG-CU; POLYCRYSTAL; GROWTH; DEFORMATION; TOMOGRAPHY; NUCLEATION; MICROSCOPY; INITIATION; SPECIMENS AB In an effort to reproduce computationally the observed evolution of microstructurally small fatigue cracks (MSFCs), a method is presented for generating conformal, finite-element (FE), volume meshes from 3D measurements of MSFC propagation. The resulting volume meshes contain traction-free surfaces that conform to incrementally measured 3D crack shapes. Grain morphologies measured using near-field high-energy X-ray diffraction microscopy are also represented within the FE volume meshes. Proof-of-concept simulations are performed to demonstrate the utility of the mesh-generation method. The proof-of-concept simulations employ a crystal-plasticity constitutive model and are performed using the conformal FE meshes corresponding to successive crack-growth increments. Although the simulations for each crack increment are currently independent of one another, they need not be, and transfer of material-state information among successive crack-increment meshes is discussed. The mesh-generation method was developed using post-mortem measurements, yet it is general enough that it can be applied to in-situ measurements of 3D MSFC propagation. C1 [Spear, A. D.] Univ Utah, Dept Mech Engn, Salt Lake City, UT 84112 USA. [Hochhalter, J. D.] NASA, Langley Res Ctr, Hampton, VA 23665 USA. [Cerrone, A. R.] GE Global Res Ctr, Niskayuna, NY USA. [Li, S. F.; Lind, J. F.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Suter, R. M.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Ingraffea, A. R.] Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. RP Spear, AD (reprint author), Univ Utah, Dept Mech Engn, Salt Lake City, UT 84112 USA. EM ashley.spear@utah.edu RI Suter, Robert/P-2541-2014 OI Suter, Robert/0000-0002-0651-0437 FU Air Force Office of Scientific Research [FA9550-15-1-0172]; National Science Foundation [DGE-0707428]; U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE/BES [DESC0002001] FX Gratitude is expressed to Dr. Michael Veilleux of Sandia National Laboratory, who contributed to parts of the code described in this work. The authors also wish to thank Dr. Somnath Ghosh for providing valuable insight that influenced parts of the commentary in this manuscript. This material is based on research sponsored by the Air Force Office of Scientific Research Young Investigator Program, under agreement number FA9550-15-1-0172. Portions of this work were supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-0707428; under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344; and by DOE/BES grant DESC0002001 at Carnegie Mellon University. Data were collected at the Advanced Photon Source, a U.S. DOE Office of Science User Facility operated by Argonne National Laboratory. The authors also wish to acknowledge the Durability, Damage Tolerance, and Reliability Branch of NASA Langley Research Center for supporting the mechanical testing on which this modelling effort is based. NR 36 TC 0 Z9 0 U1 4 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 8756-758X EI 1460-2695 J9 FATIGUE FRACT ENG M JI Fatigue Fract. Eng. Mater. Struct. PD JUN PY 2016 VL 39 IS 6 SI SI BP 737 EP 751 DI 10.1111/ffe.12449 PG 15 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA DK6PJ UT WOS:000375046100008 ER PT J AU Rogers, J Marianno, C Kallenbach, G Trevino, J AF Rogers, Jeremy Marianno, Craig Kallenbach, Gene Trevino, Jose TI MODELING STUDY OF A PROPOSED FIELD CALIBRATION SOURCE USING K-40 AND HIGH-Z TARGETS FOR SODIUM IODIDE DETECTORS SO HEALTH PHYSICS LA English DT Article DE calibration; Monte Carlo; potassium; x rays AB Calibration sources based on the primordial isotope potassium-40 (K-40) have reduced controls on the source's activity due to its terrestrial ubiquity and very low specific activity. Potassium-40's beta emissions and 1,460.8 keV gamma ray can be used to induce K-shell fluorescence x rays in high-Z metals between 60 and 80 keV. A gamma ray calibration source that uses potassium chloride salt and a high-Z metal to create a two-point calibration for a sodium iodide field gamma spectroscopy instrument is thus proposed. The calibration source was designed in collaboration with the Sandia National Laboratory using the Monte Carlo N-Particle eXtended (MCNPX) transport code. Two methods of x-ray production were explored. First, a thin high-Z layer (HZL) was interposed between the detector and the potassium chloride-urethane source matrix. Second, bismuth metal powder was homogeneously mixed with a urethane binding agent to form a potassium chloride-bismuth matrix (KBM). The bismuth-based source was selected as the development model because it is inexpensive, nontoxic, and outperforms the high-Z layer method in simulation. Based on the MCNPX studies, sealing a mixture of bismuth powder and potassium chloride into a thin plastic case could provide a light, inexpensive field calibration source. C1 [Rogers, Jeremy] Natl Secur Technol, Remote Sensing Lab, POB 89521, Las Vegas, NV USA. [Marianno, Craig] Texas A&M Univ, Nucl Secur Sci & Policy Inst, 3473 TAMU, College Stn, TX 77843 USA. [Kallenbach, Gene] Sandia Natl Labs, POB 5800 MS0671, Albuquerque, NM USA. [Trevino, Jose] Texas A&M Univ, Dept Nucl Engn, 3473 TAMU, College Stn, TX 77843 USA. RP Marianno, C (reprint author), Texas A&M Univ, 3473 TAMU, College Stn, TX 77843 USA. EM marianno@tamu.edu FU Texas A&M University Nuclear Engineering Department FX This work was supported by the Texas A&M University Nuclear Engineering Department. The work was performed at Texas A&M University as part of a master's thesis work. NR 10 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JUN PY 2016 VL 110 IS 6 BP 563 EP 570 DI 10.1097/HP.0000000000000504 PG 8 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DK7QM UT WOS:000375120800003 PM 27115223 ER PT J AU Strom, DJ Cerra, F AF Strom, Daniel J. Cerra, Frank TI PRIMARY BEAM AIR KERMA DEPENDENCE ON DISTANCE FROM CARGOAND PEOPLE SCANNERS SO HEALTH PHYSICS LA English DT Article DE dose; dose assessment; dose, external; x-ray imaging AB The distance dependence of air kerma or dose rate of the primary radiation beam is not obvious for security scanners of cargo and people in which there is relative motion between a collimated source and the person or object being imaged. To study this problem, one fixed line source and three moving-source scan-geometry cases are considered, each characterized by radiation emanating perpendicular to an axis. The cases are 1) a stationary line source of radioactive material, e.g., contaminated solution in a pipe; 2) a moving, uncollimated point source of radiation that is shuttered or off when it is stationary; 3) a moving, collimated point source of radiation that is shuttered or off when it is stationary; and 4) a translating, narrow "pencil" beam emanating in a flying-spot, raster pattern. Each case is considered for short and long distances compared to the line source length or path traversed by a moving source. The short distance model pertains mostly to dose to objects being scanned and personnel associated with the screening operation. The long distance model pertains mostly to potential dose to bystanders. For radionuclide sources, the number of nuclear transitions that occur a) per unit length of a line source or b) during the traversal of a point source is a unifying concept. The "universal source strength" of air kerma rate at 1 m from the source can be used to describe x-ray machine or radionuclide sources. For many cargo and people scanners with highly collimated fan or pencil beams, dose varies as the inverse of the distance from the source in the near field and with the inverse square of the distance beyond a critical radius. Ignoring the inverse square dependence and using inverse distance dependence is conservative in the sense of tending to overestimate dose. C1 [Strom, Daniel J.] Pacific NW Natl Lab, Natl Secur Directorate, Operat Safeguards & Logist, POB 999 MS K3-54, Richland, WA 99352 USA. [Strom, Daniel J.] Dade Moeller, 1835 Terminal Dr, Richland, WA 99354 USA. [Cerra, Frank] NIST, Gaithersburg, MD USA. RP Strom, DJ (reprint author), 1835 Terminal Dr,Suite 200, Richland, WA 99354 USA. EM strom@dademoeller.com FU United States Department of Energy [DE-AC05-76RL01830] FX The authors gratefully acknowledge helpful discussions with Paul Bergstrom, Daniel Kassiday, Siraj M. Khan, Richard L. Schueller, Stephen M. Seltzer, and Richard T. Whitman, all members of the ANSI/HPS N43.16 working group; and Joseph Callerame. The work described in this article was partially performed by Pacific Northwest National Laboratory, which is operated by Battelle for the United States Department of Energy under Contract DE-AC05-76RL01830. NR 4 TC 0 Z9 0 U1 3 U2 3 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JUN PY 2016 VL 110 IS 6 BP 606 EP 611 DI 10.1097/HP.0000000000000492 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DK7QM UT WOS:000375120800008 PM 27115228 ER PT J AU Rochepault, E Ferracin, P Ambrosio, G Anerella, M Ballarino, A Bonasia, A Bordini, B Cheng, D Dietderich, DR Felice, H Fajardo, LG Ghosh, A Holik, EF Bermudez, SI Perez, JC Pong, I Schmalzle, J Yu, M AF Rochepault, E. Ferracin, P. Ambrosio, G. Anerella, M. Ballarino, A. Bonasia, A. Bordini, B. Cheng, D. Dietderich, D. R. Felice, H. Fajardo, L. Garcia Ghosh, A. Holik, E. F. Bermudez, S. Izquierdo Perez, J. C. Pong, I. Schmalzle, J. Yu, M. TI Dimensional Changes of Nb3Sn Rutherford Cables During Heat Treatment SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Conductor dimensions; heat treatment; Nb3Sn conductors; Rutherford cables AB In high field magnet applications, Nb3Sn coils undergo a heat treatment step after winding. During this stage, coils radially expand and longitudinally contract due to the Nb3Sn phase change. In order to prevent residual strain from altering superconducting performances, the tooling must provide the adequate space for these dimensional changes. The aim of this paper is to understand the behavior of cable dimensions during heat treatment and to provide estimates of the space to be accommodated in the tooling for coil expansion and contraction. This paper summarizes measurements of dimensional changes on strands, single Rutherford cables, cable stacks, and coils performed between 2013 and 2015. These samples and coils have been performed within a collaboration between CERN and the U.S. LHC Accelerator Research Program to develop Nb3Sn quadrupole magnets for the HiLumi LHC. The results are also compared with other high field magnet projects. C1 [Rochepault, E.; Ferracin, P.; Ballarino, A.; Bonasia, A.; Bordini, B.; Fajardo, L. Garcia; Bermudez, S. Izquierdo; Perez, J. C.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.; Holik, E. F.; Yu, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Anerella, M.; Ghosh, A.; Schmalzle, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Cheng, D.; Dietderich, D. R.; Pong, I.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Felice, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Felice, H.] CEA Saclay, F-91191 Gif Sur Yvette, France. RP Rochepault, E (reprint author), CERN, CH-1211 Geneva, Switzerland. EM Etienne.rochepault@cern.ch FU EU [284404]; U.S. Department of Energy through the U.S. LHC Accelerator Research Program (LARP); U.S. LARP FX This work was supported in part by EU FP7 HiLumi LHC under Grant 284404 and in part by the U.S. Department of Energy through the U.S. LHC Accelerator Research Program (LARP). The work of E. F. Holik and I. Pong was supported through Toohig Fellowships in Accelerator Science by the U.S. LARP. NR 13 TC 6 Z9 6 U1 4 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4802605 DI 10.1109/TASC.2016.2539156 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DK4IW UT WOS:000374882200001 ER PT J AU Sun, E Brindza, P Lassiter, S Fowler, M Fenker, H DeKamp, J AF Sun, Eric Brindza, Paul Lassiter, Steven Fowler, Mike Fenker, Howard DeKamp, Jon TI Commissioning of Horizontal-Bend Superconducting Magnet for Jefferson Lab's 11-GeV Super High Momentum Spectrometer SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; commissioning; cool-down; eddy currents; finite element methods AB Commissioning of the characteristics of the superconducting high momentum spectrometer horizontal-bend (HB) magnet was presented. The precommissioning peer review of the magnet uncovered issues with eddy currents in the thermal shield, resulting in additional testing and modeling of the magnet. A three-stage test plan was discussed. A solution of using a small dump resistor and a warm thermal shield was presented. Analyses illustrated that it was safe to run the magnet to full test current. The HB magnet was successfully cooled at 4 K and reached its maximum test current of 4000 A. C1 [Sun, Eric; Brindza, Paul; Lassiter, Steven; Fowler, Mike; Fenker, Howard] Thomas Jefferson Natl Accelerator Facil, Jefferson Lab, Newport News, VA 23606 USA. [DeKamp, Jon] Michigan State Univ, Facil Rare Ion Beams, E Lansing, MI 48824 USA. RP Sun, E (reprint author), Thomas Jefferson Natl Accelerator Facil, Jefferson Lab, Newport News, VA 23606 USA. EM qsun@jlab.org FU U.S. DOE [DE-AC05-06OR23177] FX Authored by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. The U.S. Government retains a nonexclusive, paid-up, irrevocable, and worldwide license to publish or reproduce this manuscript for U.S. Government purposes. NR 6 TC 0 Z9 0 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4500704 DI 10.1109/TASC.2016.2535226 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DK6YV UT WOS:000375072700001 ER PT J AU Islam, T Mohror, K Schulz, M AF Islam, Tanzima Mohror, Kathryn Schulz, Martin TI Exploring the MPI tool information interface: features and capabilities SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE MPI; MPI_T; tools interface; performance counters AB The latest version of the MPI Standard, MPI 3.0, includes a new interface, the MPI Tools Information Interface (MPI_T), which provides tools with access to MPI internal performance and configuration information. In combination with the complementary and widely used profiling interface, PMPI, it gives tools access to a wide range of information in an MPI implementation independent way. In this paper, we focus on the new functionality offered by MPI_T and present two new tools to exploit this new interface by providing users with new insights about the execution behavior of their code: Varlist allows users to query and document the MPI environment and Gyan provides profiling information using internal MPI performance variables. Together, these tools provide users with new capabilities in a highly portable way that previously required in-depth knowledge of individual MPI implementations, and demonstrate the advantages of MPI_T. In our case studies, we demonstrate how MPI_T enables both MPI library and application developers to study the impact of an MPI library's runtime settings and implementation specific behaviors on the performance of applications. C1 [Islam, Tanzima; Mohror, Kathryn; Schulz, Martin] Lawrence Livermore Natl Lab, 7000 East Ave,L-561, Livermore, CA 94550 USA. RP Islam, T (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-561, Livermore, CA 94550 USA. EM tanzima@llnl.gov FU U.S. DOE, Office of Science, ASCR Program; [DE-AC52-07NA27344] FX The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This material is based upon work supported by the U.S. DOE, Office of Science, ASCR Program, and was performed by LLNL under Contract DE-AC52-07NA27344. LLNL-CONF-654091. NR 17 TC 0 Z9 0 U1 4 U2 4 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD SUM PY 2016 VL 30 IS 2 BP 212 EP 222 DI 10.1177/1094342015600507 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA DK2VO UT WOS:000374772700006 ER PT J AU Palmer, B Perkins, W Chen, YS Jin, SS Callahan, D Glass, K Diao, RS Rice, M Elbert, S Vallem, M Huang, ZY AF Palmer, Bruce Perkins, William Chen, Yousu Jin, Shuangshuang Callahan, David Glass, Kevin Diao, Ruisheng Rice, Mark Elbert, Stephen Vallem, Mallikarjuna Huang, Zhenyu TI GridPACK(TM): A framework for developing power grid simulations on high-performance computing platforms SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Electric power grid; high-performance computing; software frameworks; distributed graphs; multi-level parallelism ID PARALLEL; TOOLKIT; FLOW AB This paper describes the GridPACK(TM) framework, which is designed to help power grid engineers develop software capable of running on high-performance computers. The framework makes extensive use of software templates to provide high-level functionality while still providing flexibility to easily implement a broad range of models and algorithms. GridPACK(TM) contains modules for setting up distributed power grid networks, supporting application-specific bus and branch models, creating distributed matrices and vectors and using parallel linear and non-linear solvers. It also provides mappers to create matrices and vectors based on properties of the network and functionality to support Input/Output (IO) and to manage errors. The goal of GridPACK(TM) is to substantially reduce the complexity of writing software for parallel computers while still providing efficient and scalable software solutions. The use of GridPACK(TM) is illustrated for a simple powerflow example and performance results for the powerflow and dynamic simulations are discussed. C1 [Palmer, Bruce; Perkins, William; Glass, Kevin; Diao, Ruisheng; Rice, Mark; Elbert, Stephen; Vallem, Mallikarjuna; Huang, Zhenyu] Pacific NW Natl Lab, Box 999, Richland, WA 99352 USA. [Chen, Yousu; Jin, Shuangshuang] Pacific NW Natl Lab, Seattle, WA USA. [Callahan, David] Facebook, Seattle, WA USA. RP Palmer, B (reprint author), Pacific NW Natl Lab, Box 999, Richland, WA 99352 USA. EM bruce.palmer@pnnl.gov FU US Department of Energy's Office of Electricity Delivery and Energy Reliability through its Advanced Grid Modeling Program [TE1103000]; Future Power Grid Initiative at Pacific Northwest National Laboratory through the Laboratory Directed Research and Development program; US Department of Energy [DE-AC05-76RLO1830] FX The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work was supported by the US Department of Energy's Office of Electricity Delivery and Energy Reliability through its Advanced Grid Modeling Program (grant number TE1103000) and the Future Power Grid Initiative at Pacific Northwest National Laboratory through the Laboratory Directed Research and Development program.; Pacific Northwest National Laboratory is located in Richland, WA and is operated by Battelle Memorial Institute under contract DE-AC05-76RLO1830 with the US Department of Energy. NR 23 TC 0 Z9 0 U1 3 U2 4 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD SUM PY 2016 VL 30 IS 2 BP 223 EP 240 DI 10.1177/1094342015607609 PG 18 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA DK2VO UT WOS:000374772700007 ER PT J AU Zuo, WD Wetter, M Tian, W Li, D Jin, MG Chen, QY AF Zuo, Wangda Wetter, Michael Tian, Wei Li, Dan Jin, Mingang Chen, Qingyan TI Coupling indoor airflow, HVAC, control and building envelope heat transfer in the Modelica Buildings library SO JOURNAL OF BUILDING PERFORMANCE SIMULATION LA English DT Article DE FFD; Modelica; coupled simulation; building energy simulation ID FAST FLUID-DYNAMICS; NATURAL VENTILATION; ENERGY SIMULATION AB This paper describes a coupled dynamic simulation of an indoor environment with heating, ventilation, and air conditioning (HVAC) systems, controls and building envelope heat transfer. The coupled simulation can be used for the design and control of ventilation systems with stratified air distributions. Those systems are commonly used to reduce building energy consumption while improving the indoor environment quality. The indoor environment was simulated using the fast fluid dynamics (FFD) simulation programme. The building fabric heat transfer, HVAC and control system were modelled using the Modelica Buildings library. After presenting the concept, the mathematical algorithm and the implementation of the coupled simulation were introduced. The coupled FFD-Modelica simulation was then evaluated using three examples of room ventilation with complex flow distributions with and without feedback control. Further research and development needs were also discussed. C1 [Zuo, Wangda; Tian, Wei; Li, Dan] Univ Miami, Dept Civil Environm & Architectural Engn, Coral Gables, FL 33146 USA. [Wetter, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, Berkeley, CA 94720 USA. [Jin, Mingang; Chen, Qingyan] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47905 USA. [Chen, Qingyan] Tianjin Univ, Sch Environm Sci & Engn, Tianjin Key Lab Indoor Air Environm Qual Control, Tianjin 300072, Peoples R China. RP Zuo, WD (reprint author), Univ Miami, Dept Civil Environm & Architectural Engn, Coral Gables, FL 33146 USA. EM w.zuo@miami.edu FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technologies of the U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 13 TC 1 Z9 1 U1 8 U2 16 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1940-1493 EI 1940-1507 J9 J BUILD PERFORM SIMU JI J. Build. Perf. Simul. PD JUN PY 2016 VL 9 IS 4 BP 366 EP 381 DI 10.1080/19401493.2015.1062557 PG 16 WC Construction & Building Technology SC Construction & Building Technology GA DK5WX UT WOS:000374993000003 ER PT J AU Bauer, ML Saltonstall, CB Leseman, ZC Beechem, TE Hopkins, PE Norris, PM AF Bauer, Matthew L. Saltonstall, Christopher B. Leseman, Zayd C. Beechem, Thomas E. Hopkins, Patrick E. Norris, Pamela M. TI Thermal Conductivity of Turbostratic Carbon Nanofiber Networks SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE heat transfer; carbon fibers; 3 omega technique; thermal conductivity; specific heat capacity; Raman spectroscopy; phonon mean free path ID ACCOMMODATION COEFFICIENTS; RAMAN-SPECTRA; FIBERS; DIFFUSION; TRANSPORT; NANOTUBES; FILMS AB Composite material systems composed of a matrix of nanomaterials can achieve combinations of mechanical and thermophysical properties outside the range of traditional systems. The microstructure of the system dictates the rate, in which heat moves through the material. In this work, air/carbon nanofiber networks are studied to elucidate the system parameters influencing thermal transport. Thermal properties are measured with varying initial carbon fiber fill fraction, environment pressure, loading pressure, and heat treatment temperature (HTT) through a bidirectional modification of the 3 omega technique. The nanostructure of the individual fibers is characterized with small angle X-ray scattering and Raman spectroscopy providing insight to individual fiber thermal conductivity. Measured thermal conductivity of the carbon nanofiber networks varied from 0.010 W/(m K) to 0.070 W/(m K). An understanding of the intrinsic properties of the individual fibers and the interactions of the two-phase composite is used to reconcile low measured thermal conductivities with predictive modeling. Accounting for fiber-to-fiber interactions and the nuanced changes in the composite as pressure is applied is necessary to successfully model thermal transport in system. C1 [Bauer, Matthew L.; Saltonstall, Christopher B.; Hopkins, Patrick E.; Norris, Pamela M.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Leseman, Zayd C.] Univ New Mexico, Dept Mech & Ind Engn, Albuquerque, NM 87131 USA. [Beechem, Thomas E.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Bauer, ML (reprint author), Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation [CMMI-1229603]; Army Research Office [W911NF-13-1-0378] FX The small angle X-ray scattering experimental work was conducted at the Center for Nanophase Materials Sciences, which was sponsored at the Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors appreciate the support from the National Science Foundation Grant No. CMMI-1229603. This work was partially supported by the Army Research Office, Grant No. W911NF-13-1-0378. The authors would also like to thank Professor Elizabeth Opila for the laboratory and equipments to use to heat treat the samples. NR 36 TC 0 Z9 0 U1 9 U2 18 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 EI 1528-8943 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD JUN PY 2016 VL 138 IS 6 AR 061302 DI 10.1115/1.4032610 PG 9 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA DK5ZW UT WOS:000375000900002 ER PT J AU Brown, DW Okuniewski, MA Clausen, B Moore, GA Sisneros, TA AF Brown, D. W. Okuniewski, M. A. Clausen, B. Moore, G. A. Sisneros, T. A. TI Neutron diffraction measurement of residual stresses in Al-clad U-10Mo fuel plates SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID RIETVELD REFINEMENT; LATTICE-PARAMETERS; STRAIN-MEASUREMENT; COEFFICIENTS AB Neutron diffraction was used to determine residual stress in monolithic two Al-clad U 10 weight percent Mo mini-fuel plates and a full sized fuel plate. One mini-plate was cooled following hot isostatic pressing at a rate of 6.75 degrees C/min, the second at 0.675 degrees C/min. A non-traditional method of calibrating the neutron diffractometer at each measurement point was necessitated by the thin nature of the sample. The in-plane stresses in the U-10Mo foils are relatively large, -250 MPa in the U-10Mo foil of the fast cooled mini-plate,-150 MPa in the slow cooled mini-plate and -275 MPa in the full-sized plate. Likewise, the in-plane stresses in the Al-cladding of the fast-cooled mini-plate and full-sized plate were determined to reach similar to 50 MPa, while in the slow-cooled sample the stresses in the Al cladding were on the level of the measurement uncertainty. The in-plane stresses in the Zr diffusion barrier were estimated to be as large as -300 MPa. (C) 2016 Elsevier B.V. All rights reserved. C1 [Brown, D. W.; Clausen, B.; Sisneros, T. A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Okuniewski, M. A.] Purdue Univ, W Lafayette, IN 47907 USA. [Okuniewski, M. A.; Moore, G. A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Brown, DW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dbrown@lanl.gov RI Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU U.S. Department of Energy (DOE); National Nuclear Security Administration's Office of Materials Management and Minimization through the DOE Idaho Operations Office [DE-AC07-05ID14517]; United States Department of Energy's Office of Basic Energy Sciences; Department of Energy [DE-AC52-06NA25396] FX This research was supported by the U.S. Department of Energy (DOE) and the National Nuclear Security Administration's Office of Materials Management and Minimization through the DOE Idaho Operations Office Contract DE-AC07-05ID14517. This work has benefited from the use of the Manual Lujan, Jr. Neutron Scattering Center at LANSCE, which was funded by the United States Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under Department of Energy contract DE-AC52-06NA25396. NR 33 TC 2 Z9 2 U1 4 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2016 VL 474 BP 8 EP 18 DI 10.1016/j.jnucmat.2016.02.012 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DK4EN UT WOS:000374870100002 ER PT J AU Farooqi, RU Hrma, P AF Farooqi, Rahmat Ullah Hrma, Pavel TI Nonlinear relationship between the Product Consistency Test (PCT) response and the Al/B ratio in a soda-lime aluminoborosilicate glass SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Aluminoborosilicate glasses; Product consistency test; Durable glasses; Charge compensation effect ID MONTE-CARLO SIMULATIONS; BOROSILICATE GLASSES; DISSOLUTION; CORROSION; TERM AB We have investigated the effect of Al/B ratio on the Product Consistency Test (PCT) response. In an aluminoborosilicate soda-lime glass based on a modified International Simple Glass, ISG-3, the Al/B ratio varied from 0 to 0.55 (in mole fractions). In agreement with various models of the PCT response as a function of glass composition, we observed a monotonic increase of B and Na releases with decreasing Al/B mole ratio, but only when the ratio was higher than 0.05. Below this value (Al/B < 0.05), we observed a sharp decrease that we attribute to B in tetrahedral coordination. (C) 2016 Elsevier B.V. All rights reserved. C1 [Farooqi, Rahmat Ullah; Hrma, Pavel] Pohang Univ Sci & Technol, Div Adv Nucl Engn, 77 Cheongam Ro, Pohang 790784, Gyeongbuk, South Korea. [Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Farooqi, RU (reprint author), Pohang Univ Sci & Technol, Div Adv Nucl Engn, 77 Cheongam Ro, Pohang 790784, Gyeongbuk, South Korea. EM rufarooqi@postech.ac.kr FU BK21+ program through the National Research Foundation of Korea - Ministry of Education FX This research was supported by BK21+ program through the National Research Foundation of Korea funded by the Ministry of Education. NR 29 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2016 VL 474 BP 28 EP 34 DI 10.1016/j.jnucmat.2016.02.017 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DK4EN UT WOS:000374870100004 ER PT J AU Rak, Z O'Brien, CJ Shin, D Andersson, AD Stanek, CR Brenner, DW AF Rak, Zs O'Brien, C. J. Shin, D. Andersson, A. D. Stanek, C. R. Brenner, D. W. TI Theoretical assessment of bonaccordite formation in pressurized water reactors SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; CRUD DEPOSITS; FUEL CRUD; PWR; SUPCRT92; METALS AB The free energy of formation of bonaccordite (Ni2FeBO5) as a function of temperature has been calculated using a technique that combines first principles calculations with experimental free energies of formation of aqueous species. The results suggest that bonaccordite formation from aqueous metal ions (Ni2+ and Fe3+) and boric acid is thermodynamically favorable at elevated temperature and pH that have been predicted to exist at the CRUD-clad interface in deposits thicker than 60 mu m. (C) 2016 Elsevier B.V. All rights reserved. C1 [Rak, Zs; O'Brien, C. J.; Brenner, D. W.] N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. [Shin, D.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Andersson, A. D.; Stanek, C. R.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. [O'Brien, C. J.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Rak, Z (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. EM zrak@ncsu.edu RI Rak, Zsolt/K-9589-2013; Shin, Dongwon/C-6519-2008; OI Rak, Zsolt/0000-0003-4015-7443; Shin, Dongwon/0000-0002-5797-3423; O'Brien, Christopher/0000-0001-7210-9257 FU Consortium for Advanced Simulation of Light Water Reactors an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy [DE-AC05-00OR22725] FX This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (http://www.casl.gov/), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725. NR 21 TC 0 Z9 0 U1 4 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2016 VL 474 BP 62 EP 64 DI 10.1016/j.jnucmat.2016.02.016 PG 3 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DK4EN UT WOS:000374870100007 ER PT J AU de los Reyes, M Voskoboinikov, R Kirk, MA Huang, HF Lumpkin, G Bhattacharyya, D AF de los Reyes, Massey Voskoboinikov, Roman Kirk, Marquis A. Huang, Hefei Lumpkin, Greg Bhattacharyya, Dhriti TI Defect evolution in a Ni-Mo-Cr-Fe alloy subjected to high-dose Kr ion irradiation at elevated temperature SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NICKEL-ALLOY; CASCADES; DYNAMICS; REACTORS; METALS; DAMAGE; NI3AL AB A candidate Ni-Mo-Cr-Fe alloy (GH3535) for application as a structural material in a molten salt nuclear reactor was irradiated with 1 MeV Kr2+ ions (723 K, max dose of 100 dpa) at the IVEM-Tandem facility. The evolution of defects like dislocation loops and vacancy- and self-interstitial clusters was examined in-situ. For obtaining a deeper insight into the true nature of these defects, the irradiated sample was further analysed under a TEM post-facto. The results show that there is a range of different types of defects formed under irradiation. Interaction of radiation defects with each other and with preexisting defects, e.g., linear dislocations, leads to the formation of complex microstructures. Molecular dynamics simulations used to obtain a greater understanding of these defect transformations showed that the interaction between linear dislocations and radiation induced dislocation loops could form faulted structures that explain the fringed contrast of these defects observed in TEM. Crown Copyright (C) 2016 Published by Elsevier B.V. All rights reserved. C1 [de los Reyes, Massey; Voskoboinikov, Roman; Lumpkin, Greg; Bhattacharyya, Dhriti] Australian Nucl Sci & Technol Org, Lucas Heights, NSW 2234, Australia. [Kirk, Marquis A.] Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Voskoboinikov, Roman] Natl Res Ctr, Kurchatov Inst, Kurchatov Sq 1, Moscow 123182, Russia. [Huang, Hefei] Chinese Acad Sci, Shanghai Inst Appl Phys, 2019 Jialuo Rd, Shanghai 201800, Peoples R China. [de los Reyes, Massey] Nucl Fuel Cycle Royal Commiss, 50 Grenfell St, Adelaide, SA 5000, Australia. RP Bhattacharyya, D (reprint author), Australian Nucl Sci & Technol Org, Lucas Heights, NSW 2234, Australia. EM dhriti.bhattacharyya@ansto.gov.au RI Lumpkin, Gregory/A-7558-2008 FU Department of Industry, Innovation, Science, Research and Tertiary Education of the Australian Government; Shanghai Institute of Applied Physics (SINAP), China [ACSRF00400]; Russian Foundation for Basic Research [RFBR 14-08-0859a] FX The authors would like to acknowledge the extremely patient and skilful assistance of Tim Palmer and Kim Lu in the preparation of TEM samples of the highest quality. The research reported in this paper is partly funded by the grant from the Department of Industry, Innovation, Science, Research and Tertiary Education of the Australian Government under the aegis of the Joint Research Centre established between ANSTO and the Shanghai Institute of Applied Physics (SINAP), China (Funding Agreement ACSRF00400). Partial support from the Russian Foundation for Basic Research under research grant # RFBR 14-08-0859a is also gratefully acknowledged. NR 37 TC 0 Z9 0 U1 5 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2016 VL 474 BP 155 EP 162 DI 10.1016/j.jnucmat.2016.03.019 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DK4EN UT WOS:000374870100019 ER PT J AU Ding, G Santare, MH Karlsson, AM Kusoglu, A AF Ding, Guoliang Santare, Michael H. Karlsson, Anette M. Kusoglu, Ahmet TI Numerical evaluation of crack growth in polymer electrolyte fuel cell membranes based on plastically dissipated energy SO JOURNAL OF POWER SOURCES LA English DT Article DE Polymer electrolyte membrane (PEM); Durability; Fatigue; Cyclic crack growth; Plastically dissipated energy; Numerical simulation ID PROTON-EXCHANGE MEMBRANE; SULFONIC-ACID MEMBRANE; COMPOSITE MEMBRANES; MECHANICAL-BEHAVIOR; HUMIDITY CYCLES; FATIGUE; DEGRADATION; DURABILITY; TIME; STRESS AB Understanding the mechanisms of growth of defects in polymer electrolyte membrane (PEM) fuel cells is essential for improving cell longevity. Characterizing the crack growth in PEM fuel cell membrane under relative humidity (RH) cycling is an important step towards establishing strategies essential for developing more durable membrane electrode assemblies (MEA). In this study, a crack propagation criterion based on plastically dissipated energy is investigated numerically. The accumulation of plastically dissipated energy under cyclical RH loading ahead of the crack tip is calculated and compared to a critical value, presumed to be a material parameter. Once the accumulation reaches the critical value, the crack propagates via a node release algorithm. From the literature, it is well established experimentally that membranes reinforced with expanded polytetrafluoroethylene (ePTFE) reinforced perfluorosulfonic acid (PFSA) have better durability than unreinforced membranes, and through-thickness cracks are generally found under the flow channel regions but not land regions in unreinforced PFSA membranes. We show that the proposed plastically dissipated energy criterion captures these experimental observations and provides a framework for investigating failure mechanisms in ionomer membranes subjected to similar environmental loads. (C) 2016 Elsevier B.V. All rights reserved. C1 [Ding, Guoliang; Santare, Michael H.] Univ Delaware, Dept Mech Engn, Newark, DE 19716 USA. [Karlsson, Anette M.] Cleveland State Univ, Washkewicz Coll Engn, Cleveland, OH 44115 USA. [Kusoglu, Ahmet] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Santare, MH (reprint author), Univ Delaware, Dept Mech Engn, Newark, DE 19716 USA. EM santare@udel.edu OI Kusoglu, Ahmet/0000-0002-2761-1050 FU Energy Efficiency and Renewable Energy, Office of Fuel Cell Technologies, of the U.S. Department of Energy through Lawrence Berkeley National Laboratory (LBNL) [DE-AC02-05CH11231] FX This research has been supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Fuel Cell Technologies, of the U.S. Department of Energy under contract number DE-AC02-05CH11231, through a sub-contract by Lawrence Berkeley National Laboratory (LBNL). The authors would like to thank Adam Z. Weber of LBNL as well as Rodney Borup and Rangachary Mukundan of the Los Alamos Fuel Cell Team for helpful discussions. NR 64 TC 3 Z9 3 U1 8 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2016 VL 316 BP 114 EP 123 DI 10.1016/j.jpowsour.2016.03.031 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DL0XV UT WOS:000375356800012 ER PT J AU Li, YC Paranthaman, MP Akato, K Naskar, AK Levine, AM Lee, RJ Kim, SO Zhang, JS Dai, S Manthiram, A AF Li, Yunchao Paranthaman, M. Parans Akato, Kokouvi Naskar, Amit K. Levine, Alan M. Lee, Richard J. Kim, Sang-Ok Zhang, Jinshui Dai, Sheng Manthiram, Arumugam TI Tire-derived carbon composite anodes for sodium-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Sodium-ion batteries (SIBs); Tire-derived carbon; Tire recycling; Low-cost anodes ID HIGH-PERFORMANCE ANODE; ELECTROCHEMICAL PROPERTIES; RATE CAPABILITY; ENERGY-STORAGE; CYCLE LIFE; NA; INSERTION; LITHIUM; ELECTRODE; MICROSPHERES AB Hard-carbon materials are considered as one of the most promising anodes for the emerging sodium-ion batteries. Here, we report a low-cost, scalable waste tire-derived carbon as an anode for sodium-ion batteries (SIBs). Tire-derived carbons obtained by pyrolyzing acid-treated tire at 1100 degrees C, 1400 degrees C and 1600 degrees C show capacities of 179,185 and 203 mAh g(-1), respectively, after 100 cycles at a current density of 20 mA g(-1) in sodium-ion batteries with good electrochemical stability. The portion of the low-voltage plateau region in the charge-discharge curves increases as the heat-treatment temperature increases. The low-voltage plateau is beneficial to enhance the energy density of the full cell. This study provides a new pathway for inexpensive, environmentally benign and value-added waste tire-derived products towards large-scale energy storage applications. (C) 2016 Elsevier B.V. All rights reserved. C1 [Li, Yunchao; Paranthaman, M. Parans; Zhang, Jinshui; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Li, Yunchao; Paranthaman, M. Parans; Akato, Kokouvi; Naskar, Amit K.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Akato, Kokouvi; Naskar, Amit K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kim, Sang-Ok; Manthiram, Arumugam] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Kim, Sang-Ok; Manthiram, Arumugam] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Levine, Alan M.; Lee, Richard J.] RJ Lee Grp, Monroeville, PA 15146 USA. RP Paranthaman, MP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM paranthamanm@ornl.gov RI Dai, Sheng/K-8411-2015; zhang, Jinshui/D-9749-2016; OI Dai, Sheng/0000-0002-8046-3931; zhang, Jinshui/0000-0003-4649-6526; Paranthaman, Mariappan/0000-0003-3009-8531; Li, Yunchao/0000-0001-5460-5855 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge National Laboratory's Technology Innovation Program FX The evaluation of the new materials as novel battery electrodes was sponsored by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. The research on the conversion of recycled tires to carbon powders was funded by Oak Ridge National Laboratory's Technology Innovation Program. NR 40 TC 1 Z9 1 U1 33 U2 103 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2016 VL 316 BP 232 EP 238 DI 10.1016/j.jpowsour.2016.03.071 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DL0XV UT WOS:000375356800024 ER PT J AU Araujo, WWR Teixeira, FS da Silva, GN Salvadori, DMF Salvadori, MC Brown, IG AF Araujo, W. W. R. Teixeira, F. S. da Silva, G. N. Salvadori, D. M. F. Salvadori, M. C. Brown, I. G. TI Cell growth on 3D microstructured surfaces SO MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS LA English DT Article DE Biomaterials; Surface patterning; Cell aggregation; Optical microscopy ID MICROPATTERNED SURFACES; PATTERNED SURFACES; FOCAL ADHESIONS; IMAGE-ANALYSIS; VIRUS; DIFFERENTIATION; PROTEIN; FILMS AB Chinese Hamster Ovary (CHO) cell cultures were grown on surfaces lithographed with periodic 3D hexagonal microcavity array morphology. The range of microcavity size (inscribed circle diameter) was from 12 mu m to 560 mu m. CHO cells were grown also on flat surfaces. The characterization was performed with respect to cell growth density (number of nuclei per unit area) by fluorescence optical microscopy and evaluated by correlation function analysis. We found that optimum microcavity radius was 80 mu m, concerning to the maximum cell growth density, being even greater than the growth density on a flat (unstructured) substrate of the same material. This finding can be important for optimization of biotechnological processes and devices. (C) 2016 Published by Elsevier B.V. C1 [Araujo, W. W. R.; Teixeira, F. S.; Salvadori, M. C.] Univ Sao Paulo, Inst Phys, CP 66318, BR-05315970 Sao Paulo, SP, Brazil. [da Silva, G. N.] UFOP Fed Univ Ouro Preto, Sch Pharm, Ouro Preto, MG, Brazil. [Salvadori, D. M. F.] UNESP Sao Paulo State Univ, Botucatu Med Sch, Botucatu, SP, Brazil. [Brown, I. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Araujo, WWR (reprint author), Univ Sao Paulo, Inst Phys, CP 66318, BR-05315970 Sao Paulo, SP, Brazil. EM wwlysses@if.usp.com; mcsalva@if.usp.br RI Salvadori, Maria Cecilia/A-9379-2013 FU Fundacao de Amparo a Pesquisa do Estado de Sao Paulo [FAPESP-2011/00624-9]; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico [CNPq-157021/2011-4]; Coordenacao de Aperfeicoamento de Pessoal de Ensino Superior, Brazil [CAPES-157021/2011-4] FX This work was supported by the Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP-2011/00624-9), the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq-157021/2011-4) and the Coordenacao de Aperfeicoamento de Pessoal de Ensino Superior (CAPES-157021/2011-4), Brazil. NR 37 TC 1 Z9 1 U1 8 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0928-4931 EI 1873-0191 J9 MAT SCI ENG C-MATER JI Mater. Sci. Eng. C-Mater. Biol. Appl. PD JUN 1 PY 2016 VL 63 BP 686 EP 689 DI 10.1016/j.msec.2016.03.026 PG 4 WC Materials Science, Biomaterials SC Materials Science GA DK4UW UT WOS:000374916800078 PM 27040266 ER PT J AU Li, J Rochester, CW Jacobs, IE Aasen, EW Friedrich, S Stroeve, P Moule, AJ AF Li, Jun Rochester, Christopher W. Jacobs, Ian E. Aasen, Erik W. Friedrich, Stephan Stroeve, Pieter Moule, Adam J. TI The effect of thermal annealing on dopant site choice in conjugated polymers SO ORGANIC ELECTRONICS LA English DT Article DE Organic electronics; Molecular doping; Molecular diffusion; Thermal stability ID LIGHT-EMITTING-DIODES; SOLAR-CELLS; ORGANIC PHOTOVOLTAICS; CHARGE-TRANSFER; CONDUCTING POLYMER; TRANSPORT LAYERS; AGGREGATION; INTERFACE; FILMS; POLY(3-HEXYLTHIOPHENE) AB Solution-processed organic electronic devices often consist of layers of polar and non-polar polymers. In addition, either of these layers could be doped with small molecular dopants. It is extremely important for device stability to understand the diffusion behavior of these molecular dopants under the thermal stress and whether the dopants have preference for the polar or the non-polar polymer layers. In this work, a widely used molecular dopant 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) was chosen to investigate dopant site preference upon thermal annealing between the polar thiophene poly(thiophene-3-[2-(2-methoxy-ethoxy) ethoxy]-2,5-diyl) (S-P3MEET) and non-polar thiophene poly(3-hexylthiophene) (P3HT). F4TCNQ is able to p-type dope both P3HT and S-P3MEET. Further doping studies of S-P3MEET using near edge X-ray absorption fine structure spectroscopy, conductivity measurements and atomic force microscopy show that the F4TCNQ additive competes for doping sites with the covalently attached dopants on the S-P3MEET. Calorimetry measurements reveal that the F4TCNQ interacts strongly with the side-chains of the S-P3MEET, increasing the melting temperature of the side-chains by 30 degrees C with 5 wt% dopant loading. Next, the thermal stability of doping in the polar/non-polar (S-P3MEET/P3HT) bilayer architectures was investigated. Steady-state absorbance and fluorescence results show that F4TCNQ binds much more strongly in S-P3MEET than P3HT and very little F4TCNQ is found in the P3HT layer after annealing. In combination with reflectometry measurements, we show that F4TCNQ remains in the SP3MEET layer with annealing to 210 degrees C even though the sublimation temperature for neat F4TCNQ is about 80 degrees C. In contrast, F4TCNQ slowly diffuses out of P3HT at room temperature. We attribute this difference in binding the F4TCNQ anion to the ability of the ethyl-oxy side-chains of the S-P3MEET to orient around the charged dopant molecule and thereby to stabilize its position. This study suggests that polar side-chains could be engineered to increase the thermal stability of molecular dopant position. (C) 2016 Elsevier B.V. All rights reserved. C1 [Li, Jun; Rochester, Christopher W.; Jacobs, Ian E.; Aasen, Erik W.; Stroeve, Pieter; Moule, Adam J.] Univ Calif Davis, Chem Engn & Mat Sci, Davis, CA 95616 USA. [Friedrich, Stephan] Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. RP Moule, AJ (reprint author), Univ Calif Davis, Chem Engn & Mat Sci, Davis, CA 95616 USA. EM amoule@ucdavis.edu OI Moule, Adam/0000-0003-1354-3517 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Neutron scattering division [DE-SC0010419]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This research project was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Neutron scattering division under grant number DE-SC0010419. The NEXAFS work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We would like to thank Elke Arrenholz and Alpha N' Diaye from ALS and Michael Toney, Badri Shyam from SSRL for user support and training. We would also like to thank Plextronics for the donation of S-P3MEET. NR 62 TC 2 Z9 2 U1 14 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1566-1199 EI 1878-5530 J9 ORG ELECTRON JI Org. Electron. PD JUN PY 2016 VL 33 BP 23 EP 31 DI 10.1016/j.orgel.2016.02.029 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DK7NF UT WOS:000375111700004 ER PT J AU Poplawsky, JD Li, C Paudel, NR Guo, W Yan, YF Pennycook, SJ AF Poplawsky, Jonathan D. Li, Chen Paudel, Naba R. Guo, Wei Yan, Yanfa Pennycook, Stephen J. TI Nanoscale doping profiles within CdTe grain boundaries and at the CdS/CdTe interface revealed by atom probe tomography and STEM EBIC SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE CdTe; Atom probe tomography; Scanning transmission electron microscopy; Electron beam induced current; Thin films ID FILM SOLAR-CELLS; ELECTRICAL CHARACTERIZATION; TE INTERDIFFUSION; CU(IN,GA)SE-2; EFFICIENCY; NA AB Segregated elements and their diffusion profiles within grain boundaries and interfaces resulting from post deposition heat treatments are revealed using atom probe tomography (APT), scanning transmission electron microscopy (STEM), and electron beam induced current (EBIC) techniques. The results demonstrate how these techniques complement each other to provide conclusive evidence for locations of space charge regions and mechanisms that create them at the nanoscale. Most importantly, a Cl dopant profile that extends similar to 5 nm into CdTe grains interfacing the CdS is shown using APT and STEM synergy, which has been shown to push the pn-junction into the CdTe layer indicative of a homojunction (revealed by STEM EBIC). In addition, Cu and CI concentrations within grain boundaries within several nms and mu ms from the CdS/CdTe interface are compared, Na segregation of <0.1% is detected, and S variations of similar to 1-3% are witnessed between CdTe grains close to the CdS/CdTe interface. The segregation and diffusion of these elements have a direct impact on the material properties, such as band gap energy and nip type properties. Optimization of the interfacial and grain boundary doping will lead to higher efficiency solar cells. (C) 2016 Elsevier B.V. All rights reserved. C1 [Poplawsky, Jonathan D.; Guo, Wei] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Li, Chen] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Paudel, Naba R.; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, McMaster Hall,2nd Floor Rm 2017, Toledo, OH 43606 USA. [Pennycook, Stephen J.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117548, Singapore. [Li, Chen] Univ Vienna, Dept Lithospher Res, Vienna, Austria. RP Poplawsky, JD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM PoplawskyJD@ornl.gov FU US Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy, Foundational Program to Advance Cell Efficiency (F-PACE) [DE-FOA-0000492]; Office of Basic Energy Sciences (BES), ORNL's Materials Science and Engineering Division; ORNL's Center for Nanophase Materials Sciences (CNMS); ORNL's laboratory directed research and development (LDRD) program; DOE Office of Science User Facility FX This research was supported by the US Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy, Foundational Program to Advance Cell Efficiency (F-PACE), grant number DE-FOA-0000492, by the Office of Basic Energy Sciences (BES), ORNL's Materials Science and Engineering Division, and by ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. J.P. was supported in part by ORNL's laboratory directed research and development (LDRD) program. NR 39 TC 4 Z9 4 U1 17 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD JUN PY 2016 VL 150 BP 95 EP 101 DI 10.1016/j.solmat.2016.02.004 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DJ7AH UT WOS:000374363800014 ER PT J AU Nejad, AR Guo, Y Gao, Z Moan, T AF Nejad, Amir Rasekhi Guo, Yi Gao, Zhen Moan, Torgeir TI Development of a 5 MW reference gearbox for offshore wind turbines SO WIND ENERGY LA English DT Article DE 5MW reference gearbox; offshore wind turbines; high-speed wind turbine gearbox; wind turbine drivetrain ID FATIGUE DAMAGE; DRIVETRAINS; LOADS; DYNAMICS; SPAR AB This paper presents detailed descriptions, modeling parameters and technical data of a 5MW high-speed gearbox developed for the National Renewable Energy Laboratory offshore 5MW baseline wind turbine. The main aim of this paper is to support the concept studies and research for large offshore wind turbines by providing a baseline gearbox model with detailed modeling parameters. This baseline gearbox follows the most conventional design types of those used in wind turbines. It is based on the four-point supports: two main bearings and two torque arms. The gearbox consists of three stages: two planetary and one parallel stage gears. The gear ratios among the stages are calculated in a way to obtain the minimum gearbox weight. The gearbox components are designed and selected based on the offshore wind turbine design codes and validated by comparison to the data available from large offshore wind turbine prototypes. All parameters required to establish the dynamic model of the gearbox are then provided. Moreover, a maintenance map indicating components with high to low probability of failure is shown. The 5 MW reference gearbox can be used as a baseline for research on wind turbine gearboxes and comparison studies. It can also be employed in global analysis tools to represent a more realistic model of a gearbox in a coupled analysis. Copyright (c) 2015 John Wiley & Sons, Ltd. C1 [Nejad, Amir Rasekhi; Moan, Torgeir] Norwegian Univ Sci & Technol, Norwegian Res Ctr Offshore Wind Technol, N-7034 Trondheim, Norway. [Nejad, Amir Rasekhi; Gao, Zhen; Moan, Torgeir] Norwegian Univ Sci & Technol, Ctr Ships & Ocean Struct, NO-7491 Trondheim, Norway. [Guo, Yi] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO USA. RP Nejad, AR (reprint author), Norwegian Univ Sci & Technol, Ctr Ships & Ocean Struct, NO-7491 Trondheim, Norway. EM Amir.Nejad@ntnu.no FU Research Council of Norway through the Norwegian Research Center for Offshore Wind Technology; Center for Ships and Ocean Structures; US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX The authors wish to acknowledge the financial support from the Research Council of Norway through the Norwegian Research Center for Offshore Wind Technology and the Center for Ships and Ocean Structures. The NREL author's contribution to this study was supported by the US Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 57 TC 1 Z9 1 U1 5 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD JUN PY 2016 VL 19 IS 6 BP 1089 EP 1106 DI 10.1002/we.1884 PG 18 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA DK3XA UT WOS:000374849500007 ER PT J AU Annoni, J Gebraad, PMO Scholbrock, AK Fleming, PA van Wingerden, JW AF Annoni, Jennifer Gebraad, Pieter M. O. Scholbrock, Andrew K. Fleming, Paul A. van Wingerden, Jan-Willem TI Analysis of axial-induction-based wind plant control using an engineering and a high-order wind plant model SO WIND ENERGY LA English DT Article DE wind plant control; wind turbine control; wind turbine wakes ID TURBINE WAKES; FARM; TUNNEL AB Wind turbines are typically operated to maximize their performance without considering the impact of wake effects on nearby turbines. Wind plant control concepts aim to increase overall wind plant performance by coordinating the operation of the turbines. This paper focuses on axial-induction-based wind plant control techniques, in which the generator torque or blade pitch degrees of freedom of the wind turbines are adjusted. The paper addresses discrepancies between a high-order wind plant model and an engineering wind plant model. Changes in the engineering model are proposed to better capture the effects of axial-induction-based control shown in the high-order model. Copyright (c) 2015 John Wiley & Sons, Ltd. C1 [Annoni, Jennifer] Univ Minnesota, Dept Aerosp Engn & Mech, Minneapolis, MN 55455 USA. [Gebraad, Pieter M. O.; Scholbrock, Andrew K.; Fleming, Paul A.] Natl Renewable Energy Lab, Golden, CO USA. [van Wingerden, Jan-Willem] Delft Univ Technol, Delft Ctr Syst & Control, Delft, Netherlands. RP Annoni, J (reprint author), Univ Minnesota, 110 Union St SE, Minneapolis, MN 55455 USA. EM anno0010@umn.edu FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory; DOE Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Office; National Science Foundation [NSF-CMMI-1254129]; Far Large Offshore Wind (FLOW) project [201101]; NWO Veni Grant [11930] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Funding for the work was provided by the DOE Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Office. In addition, this work was supported by the National Science Foundation under Grant No. NSF-CMMI-1254129 entitled CAREER: Probabilistic Tools for High Reliability Monitoring and Control of Wind Farms. 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 NSF.; Delft University of Technology's contributions were supported by the Far Large Offshore Wind (FLOW) project no. 201101 'Offshore wind power plant control for minimal loading' and by the NWO Veni Grant no. 11930 'Reconfigurable floating wind plant'. NR 37 TC 2 Z9 2 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD JUN PY 2016 VL 19 IS 6 BP 1135 EP 1150 DI 10.1002/we.1891 PG 16 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA DK3XA UT WOS:000374849500010 ER PT J AU Stewart, GM Robertson, A Jonkman, J Lackner, MA AF Stewart, Gordon M. Robertson, Amy Jonkman, Jason Lackner, Matthew A. TI The creation of a comprehensive metocean data set for offshore wind turbine simulations SO WIND ENERGY LA English DT Article DE offshore wind energy; meteorological and ocean conditions AB A database of meteorological and ocean conditions is presented for use in offshore wind energy research and design. The original data are from 23 ocean sites around the USA and were obtained from the National Data Buoy Center run by the National Oceanic and Atmospheric Administration. The data are presented in a processed form that includes the variables of interest for offshore wind energy design: wind speed, significant wave height, wave peak-spectral period, wind direction and wave direction. For each site, a binning process is conducted to create conditional probability functions for each of these variables. The sites are then grouped according to geographic location and combined to create three representative sites, including a West Coast site, an East Coast site and a Gulf of Mexico site. Both the processed data and the probability distribution parameters for the individual and representative sites are being hosted on a publicly available domain by the National Renewable Energy Laboratory, with the intent of providing a standard basis of comparison for meteorological and ocean conditions for offshore wind energy research worldwide. Copyright (c) 2015 John Wiley & Sons, Ltd. C1 [Stewart, Gordon M.; Lackner, Matthew A.] Univ Massachusetts, Dept Mech & Ind Engn, 160 Governors Dr, Amherst, MA 01003 USA. [Robertson, Amy; Jonkman, Jason] Natl Renewable Energy Lab, Golden, CO USA. RP Stewart, GM (reprint author), Univ Massachusetts, Dept Mech & Ind Engn, 160 Governors Dr, Amherst, MA 01003 USA. EM gmstewar@gmail.com NR 7 TC 0 Z9 0 U1 3 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD JUN PY 2016 VL 19 IS 6 BP 1151 EP 1159 DI 10.1002/we.1881 PG 9 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA DK3XA UT WOS:000374849500011 ER PT J AU Ortega, I Berg, LK Ferrare, RA Hair, JW Hostetler, CA Volkamer, R AF Ortega, Ivan Berg, Larry K. Ferrare, Richard A. Hair, Johnathan W. Hostetler, Chris A. Volkamer, Rainer TI Elevated aerosol layers modify the O-2-O-2 absorption measured by ground-based MAX-DOAS SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER LA English DT Article DE DOAS; Oxygen collisional complex (O-4); O-4 correction factor (CFO4); Aerosol extinction profiles; Elevated aerosol layers ID SPECTRAL-RESOLUTION LIDAR; RADIATIVE-TRANSFER; OPTICAL-PROPERTIES; FREE TROPOSPHERE; CROSS-SECTIONS; ATMOSPHERIC AEROSOLS; DERIVE INFORMATION; BOUNDARY-LAYER; IN-SITU; NM AB The oxygen collisional complex (O-2-O-2, or O-4) is a greenhouse gas, and a calibration trace gas used to infer aerosol and cloud properties by Differential Optical Absorption Spectroscopy (DOAS). Recent reports suggest the need for an O-4 correction factor (CFO4) when comparing simulated and measured O-4 differential slant column densities (dSCD) by passive DOAS. We investigate the sensitivity of O-4 dSCD simulations at ultraviolet (360 nm) and visible (477 nm) wavelengths towards separately measured aerosol extinction profiles. Measurements were conducted by the University of Colorado 2D-MAX-DOAS instrument and NASA's multispectral High Spectral Resolution Lidar (HSRL-2) during the Two Column Aerosol Project (TCAP) at Cape Cod, MA in July 2012. During two case study days with (1) high aerosol load (17 July, AOD similar to 0.35 at 477 nm), and (2) near molecular scattering conditions (22 July, AOD < 0.10 at 477 nm) the measured and calculated O-4 dSCDs agreed within 6.4 +/- 0.4% (360 nm) and 4.7 +/- 0.6% (477 nm) if the HSRL-2 profiles were used as input to the calculations. However, if in the calculations the aerosol is confined to the surface layer (while keeping AOD constant) we find 0.53 < CFO4 < 0.75, similar to previously reported CFO4. Our results suggest that elevated aerosol layers, unless accounted for, can cause negative bias in the simulated O-4 dSCDs that can explain CFO4. The air density and aerosol profile aloft needs to be taken into account when interpreting the O-4 from ground-based MAX-DOAS. Opportunities to identify and better characterize these elevated layers are also discussed. (C) 2016 The Authors. Published by Elsevier Ltd. C1 [Ortega, Ivan; Volkamer, Rainer] Univ Colorado, Dept Chem & Biochem, 215 UCB, Boulder, CO 80309 USA. [Ortega, Ivan; Volkamer, Rainer] Univ Colorado, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Berg, Larry K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Ferrare, Richard A.; Hair, Johnathan W.; Hostetler, Chris A.] NASA Langley Res Ctr, Hampton, VA USA. RP Volkamer, R (reprint author), Univ Colorado, Dept Chem & Biochem, 215 UCB, Boulder, CO 80309 USA. EM rainer.volkamer@colorado.edu RI Volkamer, Rainer/B-8925-2016 OI Volkamer, Rainer/0000-0002-0899-1369 FU NSF-CAREER award [ATM-0847793]; US Department of Energy (DoE) [DE-SC0006080]; NASA FX The 2-D-MAX-DOAS instrument was developed with support from the NSF-CAREER award ATM-0847793, and US Department of Energy (DoE) award DE-SC0006080 supported the TCAP deployment. Ivan Ortega is recipient of a NASA Earth Science graduate fellowship. The authors are grateful to Tim Deutschmann for providing support with the McArtim RTM. The authors thank the entire TCAP team for their support during the campaign. We further thank Rick Wagener and Laurie Gregory for providing the AERONET data, Gary Hodges and Kathy Lantz for providing the NOAA MFRSR data, Caroline Fayt and Michel van Roozendael for providing the WinDOAS software, and Thomas Wagner for helpful discussions. NR 50 TC 3 Z9 3 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4073 EI 1879-1352 J9 J QUANT SPECTROSC RA JI J. Quant. Spectrosc. Radiat. Transf. PD JUN PY 2016 VL 176 BP 34 EP 49 DI 10.1016/j.jqsrt.2016.02.021 PG 16 WC Optics; Spectroscopy SC Optics; Spectroscopy GA DJ6WN UT WOS:000374354000005 ER PT J AU Patel, PP Hanumantha, PJ Velikokhatnyi, OI Datta, MK Gattu, B Poston, JA Manivannan, A Kumta, PN AF Patel, Prasad Prakash Hanumantha, Prashanth Jampani Velikokhatnyi, Oleg I. Datta, Moni Kanchan Gattu, Bharat Poston, James A. Manivannan, Ayyakkannu Kumta, Prashant N. TI Vertically aligned nitrogen doped (Sn,Nb)O-2 nanotubes - Robust photoanodes for hydrogen generation by photoelectrochemical water splitting SO MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS LA English DT Article DE Photoelectrochemical water splitting; Nanotubes; Tin oxide; Doped metal oxide; Nitrogen doping ID VISIBLE-LIGHT IRRADIATION; SENSITIZED SOLAR-CELLS; ANODE ELECTRO-CATALYST; ZNO NANOWIRE ARRAYS; SNO2 THIN-FILMS; HIGH-PERFORMANCE; PHOTOCATALYTIC ACTIVITY; OPTICAL-PROPERTIES; ZINC-OXIDE; TIN OXIDE AB Hydrogen generation from photoelectrochemical (PEC) water splitting is on the forefront of clean energy generation landscape. The efficiency of PEC system is dependent on the engineering of semiconductors with tailored narrow band gap coupled with superior photoelectrochemical activity and desired stability vital for the commercialization of PEC water splitting cells. We report herein the study of vertically aligned Nb and N doped SnO2 nanotubes (NTs), i.e., (Sn0.95Nb0.05)O-2: N NTs for PEC water splitting. (Sn0.95Nb0.05)O-2 NTs was selected for co-doping with nitrogen by systematic analysis of applied bias photon-to-current efficiency of various Nb doped SnO2 (x=0-0.1) compositions. Consequently, excellent photoelectrochemical stability and the highest efficiency of 4.1% is obtained for (Sn0.95Nb0.05)O-2:N-600 NTs never observed for other known TiO2, ZnO, and Fe2O3 systems to date. Additionally, theoretical first principles study provides understanding of Nb and N co-doping on the electronic structure and band gap of SnO2 semiconductor, further corroborating results of the experimental study. (C) 2016 Elsevier B.V. All rights reserved. C1 [Patel, Prasad Prakash; Gattu, Bharat; Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Swanson Sch Engn, 818 Benedum Hall,3700 OHara St, Pittsburgh, PA 15261 USA. [Hanumantha, Prashanth Jampani; Velikokhatnyi, Oleg I.; Datta, Moni Kanchan; Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Swanson Sch Engn, 815C Benedum Hall, Pittsburgh, PA 15261 USA. [Velikokhatnyi, Oleg I.; Datta, Moni Kanchan; Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA. [Poston, James A.; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Kumta, Prashant N.] Univ Pittsburgh, Mech Engn & Mat Sci, Swanson Sch Engn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Sch Dent Med, Pittsburgh, PA 15217 USA. RP Patel, PP (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Swanson Sch Engn, 818 Benedum Hall,3700 OHara St, Pittsburgh, PA 15261 USA.; Kumta, PN (reprint author), Univ Pittsburgh, Dept Bioengn, Swanson Sch Engn, 815C Benedum Hall, Pittsburgh, PA 15261 USA. EM ppp4@pitt.edu; pkumta@pitt.edu RI Jampani Hanumantha, Prashanth/A-9840-2013 OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993 FU National Science Foundation [0933141, 1511390, ACI-1053575]; Edward R. Weidlein Chair Professorship funds; Center for Complex Engineered Multifunctional Materials (CCEMM), Swanson School of Engineering, University of Pittsburgh FX Research in part supported by the National Science Foundation, CBET - Grant 0933141 and CBET - Grant 1511390. P.N.K acknowledges the Edward R. Weidlein Chair Professorship funds and the Center for Complex Engineered Multifunctional Materials (CCEMM), Swanson School of Engineering, University of Pittsburgh for support of this research and also for procurement of the electrochemical equipment and facilities used in this research work. P.N.K also acknowledges Mr. Matt Detzel (Chemical Engineering Undergraduate Laboratory Technician/Instructor, University of Pittsburgh) for allowing use of the UV-vis spectrophotometer and gas chromatography (GC) system. Finally, P.N.K. and O.I.V. gratefully acknowledge the Extreme Science and Engineering Discovery Environment (XSEDE) [116] supported by National Science Foundation grant number ACI-1053575, for providing the computational resources needed to complete the theoretical component of the present study. NR 116 TC 1 Z9 1 U1 12 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-5107 EI 1873-4944 J9 MATER SCI ENG B-ADV JI Mater. Sci. Eng. B-Adv. Funct. Solid-State Mater. PD JUN PY 2016 VL 208 BP 1 EP 14 DI 10.1016/j.mseb.2016.02.001 PG 14 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA DJ7BB UT WOS:000374365800001 ER PT J AU Peng, JQ Curcija, DC Lu, L Selkowitz, SE Yang, HX Mitchell, R AF Peng, Jinqing Curcija, Dragan C. Lu, Lin Selkowitz, Stephen E. Yang, Hongxing Mitchell, Robin TI Developing a method and simulation model for evaluating the overall energy performance of a ventilated semi-transparent photovoltaic double-skin facade SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE thin-film PV; building-integrated photovoltaics (BIPV); semi-transparent photovoltaic windows; overall energy performance simulation; ENERGYPLUS; double-skin facade ID OFFICE BUILDINGS; HONG-KONG; THERMAL PERFORMANCE; PV MODULES; WINDOW; INTEGRATION; INDOOR; CELLS; ELEMENTS AB A comprehensive simulation model has been developed in this paper to simulate the overall energy performance of an amorphous silicon (a-Si) based photovoltaic double-skin facade (PV-DSF). The methodology and the model simulation procedure are presented in detail. To simulate the overall energy performance, the airflow network model, daylighting model, and the Sandia Array Performance Model in the EnergyPlus software were adopted to simultaneously simulate the thermal, daylighting, and dynamic power output performances of the PV-DSF. The interaction effects between thermal, daylighting, and the power output performances of the PV-DSF were reasonably well modeled by coupling the energy generation, heat-transfer, and optical models. Simulation results were compared with measured data from an outdoor test facility in Hong Kong in which the PV-DSF performance was measured. The model validation work showed that most of the simulated results agreed very well with the measured data except for a modest overestimation of heat gains in the afternoons. In particular, the root-mean-square error between the simulated monthly AC energy output and the measured quantity was only 2.47%. The validation results indicate that the simulation model developed in this study can accurately simulate the overall energy performance of the semi-transparent PV-DSF. This model can, therefore, be an effective tool for carrying out optimum design and sensitivity analyses for PV-DSFs in different climate zones. The methodology developed in this paper also provides a useful reference and starting point for the modeling of other kinds of semi-transparent thin-film PV windows or facades. Copyright (C) 2015 John Wiley & Sons, Ltd. C1 [Peng, Jinqing] Hunan Univ, Coll Civil Engn, Changsha 410082, Hunan, Peoples R China. [Peng, Jinqing; Lu, Lin; Yang, Hongxing] Hong Kong Polytech Univ, Dept Bldg Serv Engn, RERG, Hong Kong, Hong Kong, Peoples R China. [Curcija, Dragan C.; Selkowitz, Stephen E.; Mitchell, Robin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Lu, L (reprint author), Hong Kong Polytech Univ, Dept Bldg Serv Engn, RERG, Hong Kong, Hong Kong, Peoples R China. EM bellu@polyu.edu.hk RI Lu, Lin/D-6919-2013; Yang, Hongxing/E-5737-2014; OI Lu, Lin/0000-0002-4114-3468; Yang, Hongxing/0000-0001-5117-5394; Peng, Jinqing (Jallen)/0000-0003-4455-5908 FU Public Policy Research (PPR) Funding Scheme (PPR project) of the Hong Kong Special Administrative Region [2013.A6.010.13A]; Hong Kong Construction Industry Council Research Fund (CIC Project: K-ZJK1); Hong Kong Housing Authority Research Fund [K-ZJHE]; Fundamental Research Funds for the Central Universities in China FX The authors appreciate the financial supports provided by the Public Policy Research (PPR) Funding Scheme 2013/14 (PPR project: 2013.A6.010.13A) of the Hong Kong Special Administrative Region, the Hong Kong Construction Industry Council Research Fund (CIC Project: K-ZJK1), and the Hong Kong Housing Authority Research Fund (project no. K-ZJHE). Fundamental Research Funds for the Central Universities in China. NR 45 TC 2 Z9 2 U1 5 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD JUN PY 2016 VL 24 IS 6 BP 781 EP 799 DI 10.1002/pip.2727 PG 19 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DK1TV UT WOS:000374698100004 ER PT J AU Zheng, M Horowitz, K Woodhouse, M Battaglia, C Kapadia, R Javey, A AF Zheng, Maxwell Horowitz, Kelsey Woodhouse, Michael Battaglia, Corsin Kapadia, Rehan Javey, Ali TI III-Vs at scale: a PV manufacturing cost analysis of the thin film vapor-liquid-solid growth mode SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE cost; III-Vs; thin-films; InP; modules; manufacturing ID SOLAR-CELLS; TELLURIUM; INDIUM AB The authors present a manufacturing cost analysis for producing thin-film indium phosphide modules by combining a novel thin-film vapor-liquid-solid (TF-VLS) growth process with a standard monolithic module platform. The example cell structure is ITO/n-TiO2/p-InP/Mo. For a benchmark scenario of 12% efficient modules, the module cost is estimated to be $0.66/W(DC) and the module cost is calculated to be around $0.36/W(DC) at a long-term potential efficiency of 24%. The manufacturing cost for the TF-VLS growth portion is estimated to be similar to$23/m(2), a significant reduction compared with traditional metalorganic chemical vapor deposition. The analysis here suggests the TF-VLS growth mode could enable lower-cost, high-efficiency III-V photovoltaics compared with manufacturing methods used today and open up possibilities for other optoelectronic applications as well. Copyright (C) 2016 John Wiley & Sons, Ltd. C1 [Zheng, Maxwell; Battaglia, Corsin; Kapadia, Rehan; Javey, Ali] Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Zheng, Maxwell; Battaglia, Corsin; Kapadia, Rehan; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Horowitz, Kelsey; Woodhouse, Michael] Natl Renewable Energy Lab, Golden, CO USA. RP Javey, A (reprint author), Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM ajavey@berkeley.edu RI Battaglia, Corsin/B-2917-2010 FU Bay Area Photovoltaics Consortium (BAPVC) FX This work was funded by the Bay Area Photovoltaics Consortium (BAPVC). NR 18 TC 2 Z9 2 U1 7 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD JUN PY 2016 VL 24 IS 6 BP 871 EP 878 DI 10.1002/pip.2740 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DK1TV UT WOS:000374698100011 ER PT J AU Corbett, LB Bierman, PR Rood, DH AF Corbett, Lee B. Bierman, Paul R. Rood, Dylan H. TI An approach for optimizing in situ cosmogenic Be-10 sample preparation SO QUATERNARY GEOCHRONOLOGY LA English DT Article DE Geomorphology; Earth surface process; Geochronology; Cosmogenic nuclides; Sample preparation ID ACCELERATOR MASS-SPECTROMETRY; TANDEM VANDEGRAAFF ACCELERATOR; PRODUCTION-RATE CALIBRATION; SURFACE EXPOSURE AGES; EROSION RATES; ISOTOPE ANALYSIS; SOUTH-AFRICA; HALF-LIFE; AL-26; NUCLIDES AB Optimizing sample preparation for the isotopic measurement of Be-10 extracted from quartz mineral separates has a direct positive effect on the accuracy and precision of isotopic analysis. Here, we demonstrate the value of tracing Be throughout the extraction process (both after dissolution and after processing), producing pure Be (by optimizing ion exchange chromatography methods and quantifying quartz mineral separate and final Be fraction purity), and minimizing backgrounds (through reducing both laboratory process blanks and B-10 isobaric interference). These optimization strategies increase the amount of Be-10 available for analysis during accelerator mass spectrometry (AMS), while simultaneously decreasing interference and contamination, and ensuring that sample performance matches standard performance during analysis. After optimization of our laboratory's extraction methodology, Be-9(3+) ion beam currents measured during AMS analysis, a metric for sample purity and Be yield through the extraction process, matched the Be-9(3+) beam currents of AMS standards analyzed at the same time considering nearly 800 samples. Optimization of laboratory procedures leads to purer samples that perform better, more consistently, and more similarly to standards during AMS analysis, allowing for improved precision and accuracy of measurements used for dating and quantification of Earth surface processes. (C) 2016 Elsevier B.V. All rights reserved. C1 [Corbett, Lee B.; Bierman, Paul R.] Univ Vermont, Sch Environm & Nat Resources, Dept Geol & Rubenstein, Burlington, VT 05405 USA. [Rood, Dylan H.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, South Kensington Campus, London SW7 2AZ, England. [Rood, Dylan H.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Corbett, LB (reprint author), Univ Vermont, Sch Environm & Nat Resources, Dept Geol & Rubenstein, Burlington, VT 05405 USA. EM Ashley.Corbett@uvm.edu FU National Science Foundation [ARC 1023191, ARC-0713956, EAR-0948350, BCS-1433878]; University of Vermont FX Method development and sample analyses described here were supported by the National Science Foundation (especially ARC 1023191 and ARC-0713956 to Bierman and EAR-0948350 to Rood) and the University of Vermont. Corbett was supported by a National Science Foundation Graduate Research Fellowship and a Doctoral Dissertation Research Improvement Grant (BCS-1433878). We thank L. Reusser for assistance in method development, the staff of CAMS-LLNL for assistance in making 10Be measurements and two anonymous reviewers for improving the manuscript. NR 67 TC 5 Z9 5 U1 2 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1871-1014 EI 1878-0350 J9 QUAT GEOCHRONOL JI Quat. Geochronol. PD JUN PY 2016 VL 33 BP 24 EP 34 DI 10.1016/j.quageo.2016.02.001 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA DK0MQ UT WOS:000374607300003 ER PT J AU Ralston, WT Musselwhite, N Kennedy, G An, K Horowitz, Y Cordones, AA Rude, B Ahmed, M Melaet, G Alayoglu, S AF Ralston, Walter T. Musselwhite, Nathan Kennedy, Griffin An, Kwangjin Horowitz, Yonatan Cordones, Amy A. Rude, Bruce Ahmed, Musahid Melaet, Gerome Alayoglu, Selim TI Soft X-ray spectroscopy studies of adsorption and reaction of CO in the presence of H-2 over 6 nm MnO nanoparticles supported on mesoporous Co3O4 SO SURFACE SCIENCE LA English DT Article DE Ambient pressure X-ray photoelectron spectroscopy; In situ X-ray absorption spectroscopy; Manganese oxide nanoparticles; Mesoporous spinel cobalt oxide; CO hydrogenation ID FISCHER-TROPSCH SYNTHESIS; COBALT PARTICLE-SIZE; PHOTOELECTRON-SPECTROSCOPY; STRUCTURE SENSITIVITY; METAL NANOPARTICLES; REACTION-KINETICS; OXIDE CATALYST; SBA-15 SILICA; HYDROGENATION; SHAPE AB MnO nanoparticles (6 nm) were supported on mesoporous spinel Co3O4 and studied using ambient pressure X-ray photoelectron spectroscopy (APXPS) and in situ X-ray absorption spectroscopy (XAS) during hydrogenation of CO. The nature and evolution of surface adsorbed species as well as the oxidation states of the metal oxide surfaces were evaluated under oxidizing, reducing, and H-2 + CO (2:1) reaction atmospheres. From APXPS, MnO nanoparticle surfaces were found to be progressively reduced in H-2 atmospheres with increasing temperature. Surface adsorbed CO was found to be formed at the expense of lattice O under H-2 + CO reaction conditions. In situ XAS indicated that the dominant oxide species were Co(OH)(2), Co (II) oxides, MnO, and Mn3O4 under reaction conditions. In situ XAS also indicated the formation of gas phase CO2, the disappearance of lattice O, and the further reduction of Mn3O4 to MnO upon prolonged reaction in H-2 + CO. Mass spectroscopy measurements showed the formation of CO2 and hydrocarbons. The spent catalyst was investigated using scanning transmission X-ray microscopy and (scanning) transmission electron microscopy; the catalyst grains were found to be homogeneous. (C) 2015 Elsevier B.V. All rights reserved. C1 [Ralston, Walter T.; Musselwhite, Nathan; Kennedy, Griffin; An, Kwangjin; Horowitz, Yonatan; Melaet, Gerome] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ralston, Walter T.; Musselwhite, Nathan; Kennedy, Griffin; An, Kwangjin; Horowitz, Yonatan; Cordones, Amy A.; Rude, Bruce; Ahmed, Musahid; Melaet, Gerome; Alayoglu, Selim] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA USA. [Ralston, Walter T.; Musselwhite, Nathan; Kennedy, Griffin; An, Kwangjin; Horowitz, Yonatan; Cordones, Amy A.; Rude, Bruce; Ahmed, Musahid; Melaet, Gerome; Alayoglu, Selim] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. RP Melaet, G (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Alayoglu, S (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA USA.; Alayoglu, S (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. EM GMelaet@lbl.gov; salayoglu@lbl.gov RI Ahmed, Musahid/A-8733-2009 FU Chemical Science Division; Office of Basic Energy Sciences; Division of Chemical Science, Geological and Biosciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX W.T. Ralston, G. Kennedy, and N. Musselwhite would like to acknowledge and thank Prof. G. A. Somorjai for his mentorship and research support, and for whom this article was written as a surprise. G. Melaet is thankful for the mentorship and post-doctoral position in the Somorjai group. This work was funded by the Chemical Science Division at the LBNL. X-ray spectroscopy experiments were performed at the Advanced Light Source (LBNL); the electron microscopy imaging and spectroscopy were conducted at the Molecular Foundry Imaging Facility (LBNL). The LBNL is supported by the Director, Office of Basic Energy Sciences, the Division of Chemical Science, Geological and Biosciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 42 TC 1 Z9 1 U1 14 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 14 EP 22 DI 10.1016/j.susc.2015.12.006 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600004 ER PT J AU Zhang, SR Shan, JJ Nie, LH Nguyen, L Wu, ZL Tao, F AF Zhang, Shiran Shan, Junjun Nie, Longhui Luan Nguyen Wu, Zili Tao, Franklin (Feng) TI In situ studies of surface of NiFe2O4 catalyst during complete oxidation of methane SO SURFACE SCIENCE LA English DT Article DE complete oxidation; transition metal oxide; methane; In situ study ID NANOCRYSTALLINE SPINEL NIFE2O4; WATER-GAS SHIFT; LOW-TEMPERATURE; PD CATALYSTS; PARTICLE-SIZE; CH4 OXIDATION; CO OXIDATION; METAL; COMBUSTION; PALLADIUM AB NiFe2O4 with an inverse spinel structure exhibits high activity for a complete oxidation of methane at 400 degrees C-425 degrees C and a higher temperature. The surface of the catalyst and its adsorbates were well characterized with ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and in situ infrared spectroscopy (IR). In situ studies of the surface of NiFe2O4 using AP-XPS suggest the formation of methoxy-like and formate-like intermediates at a temperature lower than 200 degrees C, supported by the observed vibrational signatures in in situ IR studies. Evolutions of C1s photoemission features and the nominal atomic ratios of C/(Ni + Fe) of the catalyst surface suggest that the formate-like intermediate is transformed to product molecules CO2 and H2O in the temperature range of 250-300 degrees C. In situ studies suggest the formation of a spectator,-O-lattice-CH2-O-lattice-. It strongly bonds to surface through C-O bonds and cannot be activated even at 400 degrees C. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zhang, Shiran; Shan, Junjun; Luan Nguyen; Tao, Franklin (Feng)] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA. [Zhang, Shiran; Shan, Junjun; Luan Nguyen; Tao, Franklin (Feng)] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA. [Nie, Longhui] Hubei Univ Technol, Sch Chem & Chem Engn, Wuhan 430068, Peoples R China. [Wu, Zili] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Tao, F (reprint author), Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA. EM franklin.feng.tao@ku.edu RI Zhang, Shiran/L-2785-2013 OI Zhang, Shiran/0000-0003-3240-5064 FU Chemical Sciences, Geoscience and Biosciences Division, Office of Basic Energy Sciences, Office of Sciences, the U.S. Department of Energy [DE-SC0014561] FX F.T. acknowledges the funding support from the Chemical Sciences, Geoscience and Biosciences Division, Office of Basic Energy Sciences, Office of Sciences, the U.S. Department of Energy under grant No. DE-SC0014561. Part of this research including the in situ IR work was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 50 TC 0 Z9 0 U1 14 U2 58 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 156 EP 162 DI 10.1016/j.susc.2015.12.011 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600023 ER PT J AU Hensley, AJR Wang, Y McEwen, JS AF Hensley, Alyssa J. R. Wang, Yong McEwen, Jean-Sabin TI Adsorption of guaiacol on Fe (110) and Pd (111) from first principles SO SURFACE SCIENCE LA English DT Article DE Density functional theory; Guaiacol adsorption; Fe (110); Pd (111); van der Waals corrections ID GENERALIZED GRADIENT APPROXIMATION; GAS-PHASE HYDRODEOXYGENATION; DENSITY-FUNCTIONAL THEORY; SINGLE-CRYSTAL SURFACES; AUGMENTED-WAVE METHOD; M-CRESOL; OXOPHILIC SUPPORTS; AMMONIA-SYNTHESIS; CATALYSTS; BENZENE AB The catalytic properties of surfaces are highly dependent upon the effect said surfaces have on the geometric and electronic structure of adsorbed reactants, products, and intermediates. It is therefore crucial to have a surface level understanding of the adsorption of the key species in a reaction in order to design active and selective catalysts. Here, we study the adsorption of guaiacol on Fe (110) and Pd (111) using dispersion-corrected density functional theory calculations as both of these metals are of interest as hydrodeoxygenation catalysts for the conversion of bio-oils to useable biofuels. Both vertical (via the oxygen functional groups) and horizontal (via the aromatic ring) adsorption configurations were examined and the resulting adsorption and molecular distortion energies showed that the vertical sites were only physisorbed while the horizontal sites were chemisorbed on both metal surfaces. A comparison of guaiacol's horizontal adsorption on Fe (110) and Pd (111) showed that guaiacol had a stronger adsorption on Pd (111) while the Fe (110) surface distorted the C-O bonds to a greater degree. Electronic analyses on the horizontal systems showed that the greater adsorption strength for guaiacol on Pd (111) was likely due to the greater charge transfer between the aromatic ring and the surface Pd atoms. Additionally, the greater distortion of the C-O bonds in adsorbed guaiacol on Fe (110) is likely due to the greater degree of interaction between the oxygen and surface Fe atoms. Overall, our results show that the Fe (110) surface has a greater degree of interaction with the functional groups and the Pd (111) surface has a greater degree of interaction with the aromatic ring. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hensley, Alyssa J. R.; Wang, Yong; McEwen, Jean-Sabin] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Wang, Yong] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. [McEwen, Jean-Sabin] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. [McEwen, Jean-Sabin] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP McEwen, JS (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. EM js.mcewen@wsu.edu FU Voiland School of Chemical Engineering and Bioengineering; USDA/NIFA through Hatch Project titled: "Fundamental and Applied Chemical and Biological Catalysts to Minimize Climate Change, Create a Sustainable Energy Future, and Provide a Safer Food Supply" [WNP00807]; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program; DOE [DE-AC05-06OR23100]; U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences [DE-SC0014560, DE-FG02-05ER15712] FX This work was supported by institutional funds provided to J.S.M. from the Voiland School of Chemical Engineering and Bioengineering and was partially funded by USDA/NIFA through Hatch Project #WNP00807 titled: "Fundamental and Applied Chemical and Biological Catalysts to Minimize Climate Change, Create a Sustainable Energy Future, and Provide a Safer Food Supply". Our thanks also go to the donors of The American Chemical Society Petroleum Research Fund for partial support of this research. We acknowledge computational resources provided by the Center for Nanoscale Materials at Argonne National Laboratory. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program. The SCGSR program is administered by the Oak Ridge Institute for Science and Education for the DOE under contract number DE-AC05-06OR23100. This work was also partially supported by U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences under Award Numbers DE-SC0014560 and DE-FG02-05ER15712. NR 45 TC 3 Z9 3 U1 8 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 227 EP 235 DI 10.1016/j.susc.2015.10.030 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600032 ER PT J AU Beste, A Overbury, SH AF Beste, Ariana Overbury, Steven H. TI Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface SO SURFACE SCIENCE LA English DT Article DE Formaldehyde; DFT plus U; NEB; Dehydrogenation; Hydrogen diffusion; Water formation ID DENSITY-FUNCTIONAL THEORY; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; CLEAN CEO2(111) SURFACE; AUGMENTED-WAVE METHOD; GAS SHIFT REACTION; STRUCTURE SENSITIVITY; CEO2 NANOCRYSTALS; OXYGEN VACANCIES; BASIS-SET AB Methanol decomposition to formaldehyde catalyzed by the ceria (111) surface was investigated using the DFT + U method. Our results rationalize experimental temperature programmed desorption experiments on the fully oxidized surface. Particular attention was paid to the effect of coadsorption of methoxy and hydrogen on various aspects of the conversion process. This issue had been raised by the experimental observation of water desorption at low temperature removing hydrogen from the system. Within this context, we also investigated hydrogen diffusion on the ceria surface. The hydrogen/methoxy interaction on ceria was shown to be ionic regardless of separation distance. The barrier for dehydrogenation of methoxy using the ionic model system, where hydrogen is coadsorbed, is above 1 eV. This barrier becomes negligible if an incorrect neutral model without coadsorbed hydrogen is employed. While water formation from isolated surface hydrogen is unlikely at low temperature, the presence of coadsorbed methoxy reduces the reaction energy for water formation considerably. For the dehydrated surface, we observed that the preference of the electron to locate at the methoxy oxygen instead of the cerium atom results in a surface that does not contain Ce3+ ions, despite the existence of a vacancy. (C) 2016 Elsevier B.V. All rights reserved. C1 [Beste, Ariana] Univ Tennessee, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Beste, Ariana] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Overbury, Steven H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Beste, A (reprint author), Univ Tennessee, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. EM bestea@ornl.gov FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. This research was in part supported by an allocation of advanced computing resources provided by the National Science Foundation and performed on Darter at the National Institute for Computational Sciences (http://www.nics.tennessee.edu/). This research also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 54 TC 2 Z9 2 U1 11 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 242 EP 249 DI 10.1016/j.susc.2015.12.002 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600034 ER PT J AU Yi, CW Szanyi, J AF Yi, Cheol-Woo Szanyi, Janos TI Pd overlayer on oxygen pre-covered graphene/Ru(0001): Thermal stability SO SURFACE SCIENCE LA English DT Article DE Oxidized graphene; Metal overlayers; Intercalation ID CO ADSORPTION; GRAPHENE OXIDE; SURFACE SCIENCE; GRAPHITE OXIDE; RU(0001); SPECTROSCOPY; INTERFACES; PALLADIUM; PRESSURE; PD(111) AB The behaviors of metal atoms on graphene and graphene oxide are quite important since the composite materials consisting of graphene and transition metal(s) can be employed in numerous technological applications. Despite the great importance of metal particles on graphene or graphene oxide substrates, fundamental studies of the physical and chemical properties of metal clusters on graphene or graphene oxide are still needed. In this study, in order to elucidate the properties of metal on graphene (GR) and oxygen-precovered graphene (O-GR), the systems consisting of Pd deposited either onto pristine graphene or oxygen-precovered graphene layers have been investigated. The oxygen-precovered graphene was prepared by hot filament method under oxygen atmosphere. Exposure of the graphene layer to atomic oxygen resulted in both intercalation of oxygen between the graphene layer and the Ru(0001) substrate and functionalization of the graphene layer (mainly epoxide formation). Pd deposited onto the oxidized graphene layer interacted strongly with the intercalated oxygen, resulting in intercalation of some of the deposited Pd even at lower temperature than we have seen for Pd on pristine graphene. At the low coverage of 025 MLE, Pd mainly formed large planar domains (spreading of Pd on the oxidized graphene layer) and intercalated between the graphene layer and the Ru substrate at lower temperature due to the interaction between Pd and intercalated oxygen. At higher temperatures, both systems experience the same phenomenon, i.e., the intercalation of all of palladium between the graphene layer and Ru substrate. The intercalated Pd desorbed from the substrate at temperatures >1100 K. At higher Pd coverages, some of the Pd intercalated between the GR and the Ru substrate, while small Pd particles spread on the surface. The structure of the Pd overlayer after the 800 K annealing cycle seems to be very different from that observed at 300 K. The Pd that was present in small clusters spread out on the graphene surface due to the interaction with the intercalated Pd layer through the graphene layer. This interaction stabilized the Pd and even after 1000 K annealing the metal film was stable. After even higher temperature annealing, all the Pd intercalated and then desorbed above 1100 K. The graphene layer preserved its perfect structure (i.e., continuity) without any damage after the intercalation and desorption of Pd. (C) 2015 Elsevier B.V. All rights reserved. C1 [Yi, Cheol-Woo] Sungshin Womens Univ, Dept Chem, Seoul 136742, South Korea. [Yi, Cheol-Woo] Sungshin Womens Univ, Inst Basic Sci, Seoul 136742, South Korea. [Yi, Cheol-Woo; Szanyi, Janos] Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999,MSIN K8-87, Richland, WA 99352 USA. RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999,MSIN K8-87, Richland, WA 99352 USA. EM janos.szanyi@pnnl.gov RI Yi, Cheol-Woo/B-3082-2010 OI Yi, Cheol-Woo/0000-0003-4549-5433 FU US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL); US DOE by Battelle Memorial Institute [DE-AC05-76RL01830]; Sungshin Women's University Research Grant FX We gratefully admowledge the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division for the support of this work. The research described in this article was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle Memorial Institute under contract number DE-AC05-76RL01830. CWY gratefully acknowledges the support of this work by the Sungshin Women's University Research Grant of 2015. NR 35 TC 0 Z9 0 U1 12 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 271 EP 277 DI 10.1016/j.susc.2015.12.018 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600038 ER PT J AU Pei, YC Xiao, CX Goh, TW Zhang, QH Goes, SN Sun, WJ Huang, WY AF Pei, Yuchen Xiao, Chaoxian Goh, Tian-Wei Zhang, Qianhui Goes, Shannon Sun, Weijun Huang, Wenyu TI Tuning surface properties of amino-functionalized silica for metal nanoparticle loading: The vital role of an annealing process SO SURFACE SCIENCE LA English DT Article DE Amino-functionalized silica; Annealing; Dispersion; Monodisperse; Supports; Uniform ID CORE-SHELL NANOPARTICLES; ATOMIC LAYER DEPOSITION; SILVER NANOPARTICLES; GOLD NANOPARTICLES; OPTICAL-PROPERTIES; HYBRID NANOCOMPOSITE; MAGNETIC-RESONANCE; FTIR SPECTROSCOPY; SPHERES; CATALYSTS AB Metal nanoparticles (NPs) loaded on oxides have been widely used as multifunctional nanomaterials in various fields such as optical imaging, sensors, and heterogeneous catalysis. However, the deposition of metal NPs on oxide supports with high efficiency and homogeneous dispersion still remains elusive, especially when silica is used as the support. Amino-functionalization of silica can improve loading efficiency, but metal NPs often aggregate on the surface. Herein, we report that a facial annealing of amino-functionalized silica can significantly improve the dispersion and enhance the loading efficiency of various metal NPs, such as Pt, Rh, and Ru, on the silica surface. A series of characterization techniques, such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), Zeta potential analysis, UV-Vis spectroscopy, thermogravimetric analysis coupled with infrared analysis (TGA-IR), and nitrogen physisorption, were employed to study the changes of surface properties of the amino-functionalized silica before and after annealing. We found that the annealed amino-functionalized silica surface has more cross-linked silanol groups and relatively lesser amount of amino groups, and less positively charges, which could be the key to the uniform deposition of metal NPs during the loading process. These results could contribute to the preparation of metal/oxide hybrid NPs for the applications that require uniform dispersion. (C) 2015 Elsevier B.V. All rights reserved. C1 [Pei, Yuchen; Xiao, Chaoxian; Goh, Tian-Wei; Zhang, Qianhui; Goes, Shannon; Sun, Weijun; Huang, Wenyu] Iowa State Univ, Ames Lab, Dept Chem, US DOE, Ames, IA 50011 USA. RP Huang, WY (reprint author), Iowa State Univ, Ames Lab, Dept Chem, US DOE, Ames, IA 50011 USA. EM whuang@iastate.edu RI Huang, Wenyu/L-3784-2014; OI Huang, Wenyu/0000-0003-2327-7259; Sun, Weijun/0000-0003-4837-0265 FU startup funds from Ames Laboratory (Royalty Account); U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; Iowa State University FX This work was supported by startup funds from Ames Laboratory (Royalty Account) and Iowa State University. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. Acknowledgment is also made to the Donors of the American Chemical Society Petroleum Research Fund, for partial support of this research. We would like to thank Prof. Igor I. Slowing for the use of the Malvern Zetasizer Nano ZS90 with MPT-2 autotitrator, Prof. Javier Vela for the use of StellaNet Black-Comet C-SR-100 spectrometer, and Prof. Yan Zhao for the use of Varian Cary 50 Bio UV-Visible spectrophotometer. We also thank Dr. Shu Xu for valuable discussions. NR 60 TC 2 Z9 2 U1 12 U2 49 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 299 EP 306 DI 10.1016/j.susc.2015.10.019 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600042 ER PT J AU Becknell, N Zheng, CD Chen, C Yang, PD AF Becknell, Nigel Zheng, Cindy Chen, Chen Yang, Peidong TI Synthesis of PtCo3 polyhedral nanoparticles and evolution to Pt3Co nanoframes SO SURFACE SCIENCE LA English DT Article DE Platinum; Cobalt; Bimetallic; Nanoframe ID ENHANCED ELECTROCATALYTIC ACTIVITY; SIZE CONTROL; BIMETALLIC NANOPARTICLES; MAGNETIC-PROPERTIES; COPT3 NANOCRYSTALS; SHAPE-CONTROL; CO-PT; COBALT; NI; SUPERLATTICES AB Bimetallic nanoframes have great potential for achieving new levels of catalytic activity in various heterogeneous reactions due to their high surface area dispersion of expensive noble metals on the exterior and interior surfaces of the structure. PtCo3 nanopartides with polyhedral shapes were synthesized by a hot-injection method. Scanning transmission electron microscopy combined with energy dispersive X-ray spectroscopy (EDS) showed that these nanoparticles demonstrated elemental segregation of platinum to the edges of the polyhedron, forming the basis for a framework nanostructure. The process of preferential oxidative leaching which removed cobalt from the interior of the framework was tracked by EDS and inductively coupled plasma optical emission spectroscopy. This evolution procedure left the platinum-rich edges intact to form a Pt3Co nanoframe. This is the first reported synthesis of a platinum-cobalt nanoframe and could have potential applications in catalytic reactions such as oxygen reduction. (C) 2015 Elsevier B.V. All rights reserved. C1 [Becknell, Nigel; Zheng, Cindy; Chen, Chen; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Chen, Chen; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Yang, Peidong] Kavli Energy Nanoscience Inst, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Kavli Energy Nanoscience Inst, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu OI Zheng, Cindy/0000-0002-3313-4692; Becknell, Nigel/0000-0001-7857-6841 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. We would like to thank Professor Paul Alivisatos for access to the Bruker D-8 XRD, the Molecular Foundry at Lawrence Berkeley National Laboratory for access to the Zeiss SEM and electron microscopes at the National Center for Electron Microscopy, Dohyung Kim for assistance with SEM imaging, Ethan Crumlin for assistance at ALS Beamline 9.3.2, and Elena Kreimer of the Microanalytical Facility in the College of Chemistry, UC Berkeley for access to ICP. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. Work at the 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. NR 53 TC 3 Z9 3 U1 29 U2 69 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 328 EP 332 DI 10.1016/j.susc.2015.09.024 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600046 ER PT J AU Tran, H Bratlie, KM AF Tran, Hai Bratlie, Kaitlin M. TI Inhibition of MMP-13 with modified polymer particles SO SURFACE SCIENCE LA English DT Article DE Matrix metalloproteinase; Zinc dependent enzymes; Arginine; Enzymatic inhibition ID MATRIX-METALLOPROTEINASE EXPRESSION; FOREIGN-BODY REACTION; HEALING WOUNDS; IN-VITRO; CARNITINE; CYTOKINE; NANOPARTICLES; CONTRACTION; MACROPHAGES; MIGRATION AB Matrix metalloproteinases (MMPs) are proteases that destroy the extracellular matrix and have important roles in the foreign body response, wound healing, and disease. Of particular importance is the chronic wound environment in which MMP activity is increased, resulting in destruction of the de novo extracellular matrix. One potential treatment of these wounds would be to use dressings that are capable of inhibiting MMP activity. In this study, we examined the effect of seven polymer modifiers (2-amino-3-guanidinopropionic acid, arginine, camitine, citrulline, creatine, 3-guanidino propionic add, and N-w-nitro-L-arginine) on MMP-13 activity. MMP-13 is a collagenase that is present in chronic wounds and is zinc dependent. Our results showed that these polymer modifiers were able to inhibit MMP-13 activity to varying degrees. The mechanism of inhibition appears to be binding zinc to the modifiers. (C) 2015 Elsevier B.V. All rights reserved. C1 [Tran, Hai; Bratlie, Kaitlin M.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Bratlie, Kaitlin M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Bratlie, Kaitlin M.] Ames Natl Lab, Ames, IA 50011 USA. RP Bratlie, KM (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM kbratlie@iastate.edu FU National Science Foundation [CBET 1227867]; Roy J. Carver Charitable Trust [13-4265]; NSF ARI-R2 [CMMI-0963224] FX This work was supported by the National Science Foundation under grant no. CBET 1227867 and the Roy J. Carver Charitable Trust grant no. 13-4265. The authors also acknowledge support from NSF ARI-R2 (CMMI-0963224) for funding the renovation of the research laboratories used for these studies. NR 51 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2016 VL 648 SI SI BP 371 EP 375 DI 10.1016/j.susc.2015.10.043 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DJ4SP UT WOS:000374198600053 ER PT J AU Marchevsky, M Ambrosio, G Lamm, M Tartaglia, MA Lopes, ML AF Marchevsky, M. Ambrosio, G. Lamm, M. Tartaglia, M. A. Lopes, M. L. TI Localization of Quenches and Mechanical Disturbances in the Mu2e Transport Solenoid Prototype Using Acoustic Emission Technique SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Acoustic emission; acoustic sensors; superconducting magnets ID ACCELERATOR MAGNETS AB Acoustic emission (AE) detection is a noninvasive technique allowing the localization of the mechanical events and quenches in superconducting magnets. Application of the AE technique is especially advantageous in situations where magnet integrity can be jeopardized by the use of voltage taps or inductive pickup coils. As the prototype module of the transport solenoid (TS) for the Mu2e experiment at Fermilab represents such a special case, we have developed a dedicated six-channel AE detection system and accompanying software aimed at localizing mechanical events during the coil cold testing. The AE sensors based on transversely polarized piezoceramic washers combined with cryogenic preamplifiers were mounted at the outer surface of the solenoid aluminum shell, with a 60 degrees angular step around the circumference. Acoustic signals were simultaneously acquired at a rate of 500 kS/s, prefiltered and sorted based on their arrival time. Next, based on the arrival timing, angular and axial coordinates of the AE sources within the magnet structure were calculated. We present AE measurement results obtained during cooldown, spot heater firing, and spontaneous quenching of the Mu2e TS module prototype and discuss their relevance for mechanical stability assessment and quench localization. C1 [Marchevsky, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ambrosio, G.; Lamm, M.; Tartaglia, M. A.; Lopes, M. L.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Marchevsky, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mmartchevskii@lbl.gov FU FRA under DOE [DE-AC02-07CH11359] FX This work was supported in part by FRA under DOE Contract DE-AC02-07CH11359. NR 10 TC 2 Z9 2 U1 2 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4102105 DI 10.1109/TASC.2016.2530039 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DJ1EE UT WOS:000373945300001 ER PT J AU Marchevsky, M Turqueti, M Cheng, DW Felice, H Sabbi, G Salmi, T Stenvall, A Chlachidze, G Ambrosio, G Ferracin, P Bermudez, SI Perez, JC Todesco, E AF Marchevsky, M. Turqueti, M. Cheng, D. W. Felice, H. Sabbi, G. Salmi, T. Stenvall, A. Chlachidze, G. Ambrosio, G. Ferracin, P. Bermudez, S. Izquierdo Perez, J. C. Todesco, E. TI Protection Heater Design Validation for the LARP Magnets Using Thermal Imaging SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Quench protection; superconducting magnets; thermal imaging AB Protection heaters are essential elements of a quench protection scheme for high-field accelerator magnets. Various heater designs fabricated by LARP and CERN have been already tested in the LARP high-field quadrupole HQ and presently being built into the coils of the high-field quadrupole MQXF. In order to compare the heat flow characteristics and thermal diffusion timescales of different heater designs, we powered heaters of two different geometries in ambient conditions and imaged the resulting thermal distributions using a high-sensitivity thermal video camera. We observed a peculiar spatial periodicity in the temperature distribution maps potentially linked to the structure of the underlying cable. Two-dimensional numerical simulation of heat diffusion and spatial heat distribution have been conducted, and the results of simulation and experiment have been compared. Imaging revealed hot spots due to a current concentration around high curvature points of heater strip of varying cross sections and visualized thermal effects of various interlayer structural defects. Thermal imaging can become a future quality control tool for the MQXF coil heaters. C1 [Marchevsky, M.; Turqueti, M.; Cheng, D. W.; Felice, H.; Sabbi, G.; Salmi, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Stenvall, A.] Tampere Univ Technol, Dept Elect Engn, Tampere 33720, Finland. [Chlachidze, G.; Ambrosio, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ferracin, P.; Bermudez, S. Izquierdo; Perez, J. C.; Todesco, E.] European Ctr Nucl Phys, CH-1211 Geneva, Switzerland. RP Marchevsky, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mmartchevskii@lbl.gov FU DOE via the US-LARP program; High Luminosity LHC project; Academy of Finland [250652, 287027] FX This work was supported in part by the DOE via the US-LARP program and by the High Luminosity LHC project. The works of A. Stenvall and T. Salmi were supported by the Academy of Finland under Grants 250652 and 287027. NR 10 TC 0 Z9 0 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4003605 DI 10.1109/TASC.2016.2530161 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DJ4DN UT WOS:000374155700001 ER PT J AU Hamilton, SP Evans, TM Davidson, GG Johnson, SR Pandya, TM Godfrey, AT AF Hamilton, Steven P. Evans, Thomas M. Davidson, Gregory G. Johnson, Seth R. Pandya, Tara M. Godfrey, Andrew T. TI Hot zero power reactor calculations using the Insilico code SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Radiation transport; Nuclear reactor physics; Eigenvalue solvers; Nuclear cross sections ID MASSIVELY-PARALLEL; DE-NOVO AB In this paper we describe the reactor physics simulation capabilities of the Insilico code. Adescription of the various capabilities of the code is provided, including detailed discussion of the geometry, meshing, cross section processing, and neutron transport options. Numerical results demonstrate that Insilico using an SPN solver with pin-homogenized cross section generation is capable of delivering highly accurate full-core simulation of various pressurized water reactor problems. Comparison to both Monte Carlo calculations and measured plant data is provided. (C) 2016 Elsevier Inc. All rights reserved. C1 [Hamilton, Steven P.; Evans, Thomas M.; Davidson, Gregory G.; Johnson, Seth R.; Pandya, Tara M.] Oak Ridge Natl Lab, Radiat Transport Grp, Reactor & Nucl Syst Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Godfrey, Andrew T.] Oak Ridge Natl Lab, Reactor Phys Grp, Reactor & Nucl Syst Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Hamilton, SP (reprint author), Oak Ridge Natl Lab, Radiat Transport Grp, Reactor & Nucl Syst Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM hamiltonsp@ornl.gov; evanstm@ornl.gov; davidsongg@ornl.gov; johnsonsr@ornl.gov; pandyatm@ornl.gov; godfreyat@ornl.gov FU Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725]; Consortium for Advanced Simulation of Light Water Reactors; Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy [DE-AC05-00OR22725]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX Work for this paper was supported by Oak Ridge National Laboratory, which is managed and operated by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (www.casl.gov), an Energy Innovation Hub (http ://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 23 TC 1 Z9 1 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 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2016 VL 314 BP 700 EP 711 DI 10.1016/j.jcp.2016.03.033 PG 12 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DJ3RA UT WOS:000374122100036 ER PT J AU Bermudez, SI Auchmann, B Bajas, H Bajko, M Bordini, B Bottura, L Chlachidze, G Karppinen, M Rysti, J Savary, F Willering, G Zlobin, AV AF Bermudez, S. Izquierdo Auchmann, B. Bajas, H. Bajko, M. Bordini, B. Bottura, L. Chlachidze, G. Karppinen, M. Rysti, J. Savary, F. Willering, G. Zlobin, A. V. TI Quench Protection Studies of the 11-T Nb3Sn Dipole for the LHC Upgrade SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-field accelerator magnets; LHC upgrade; quench protection AB The planned upgrade of the LHC collimation system foresees additional collimators to be installed in the dispersion suppressor areas. Fermilab and CERN are developing an 11-T Nb3Sn dipole to replace some 8.33-T 15-m-long Nb-Ti LHC main dipoles providing longitudinal space for the collimators. In case of a quench, the large stored energy and the low copper stabilizer fraction make the protection of the 11-T Nb3Sn dipoles challenging. This paper presents the results of quench protection analysis, including quench protection heater design and efficiency, quench propagation, and coil heating. The numerical results are compared with the experimental data from the 2-m-long Nb3Sn dipole models. The validated model is used to predict the current decay and hot spot temperature under operating conditions in the LHC, and the presently foreseen magnet protection scheme is discussed. C1 [Bermudez, S. Izquierdo; Auchmann, B.; Bajas, H.; Bajko, M.; Bordini, B.; Bottura, L.; Karppinen, M.; Rysti, J.; Savary, F.; Willering, G.] European Org Nucl Res CERN, CH-1211 Geneva 23, Switzerland. [Chlachidze, G.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Bermudez, SI (reprint author), European Org Nucl Res CERN, CH-1211 Geneva 23, Switzerland. EM susana.izquierdo.bermudez@cern.ch FU High Luminosity LHC Project FX This work was supported by the High Luminosity LHC Project. (Corresponding author: S. Izquierdo Bermudez.) NR 13 TC 2 Z9 2 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4701605 DI 10.1109/TASC.2016.2536653 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DJ1DB UT WOS:000373942400001 ER PT J AU Zhai, Y D'Hauthuille, L Barth, C Senatore, C AF Zhai, Y. D'Hauthuille, L. Barth, C. Senatore, C. TI Finite-Element Analysis of Transverse Compressive and Thermal Loads on Nb3Sn Wires With Voids SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Finite-element analysis; fusion magnet; stress concentration; Nb3Sn superconducting wires AB High-field superconducting magnets play a very important role in many large-scale physics experiments, particularly particle colliders and fusion confinement devices such as Large Hadron Collider (LHC) and International Thermonuclear Experimental Reactor (ITER). The two most common superconductors used in these applications are NbTi and Nb3Sn. Nb3Sn wires are favored because of their significantly higher Jc (critical current density) for higher field applications. The main disadvantage of Nb3Sn is that the superconducting performance of the wire is highly strain sensitive and it is very brittle. This strain sensitivity is strongly influenced by two factors: plasticity and cracked filaments. Cracks are induced by large stress concentrators that can be traced to the presence of voids in the wire. We develop detailed 2-D and 3-D finite-element models containing wire filaments and different possible distributions of voids in a bronze-route Nb3Sn wire. We apply compressive transverse loads for various cases of void distributions to simulate the stress and strain response of a Nb3Sn wire under the Lorentz force. This paper improves our understanding of the effect voids have on the Nb3Sn wire's mechanical properties, and in so, the connection between the distribution of voids and performance degradation such as the correlation between irreversible strain limit and the void-induced local stress concentrations. C1 [Zhai, Y.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [D'Hauthuille, L.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Barth, C.; Senatore, C.] Univ Geneva, Dept Quantum Matter Phys, CH-1211 Geneva, Switzerland. [Barth, C.; Senatore, C.] Univ Geneva, Dept Appl Phys, CH-1211 Geneva, Switzerland. RP Zhai, Y (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. EM yzhai@pppl.gov FU U.S. Department of Energy [DE-AC02-09CH11466]; University of Geneva; Princeton University FX This work was supported in part by the U.S. Department of Energy under Grant DE-AC02-09CH11466 and in part by the University of Geneva and Princeton University under a Research Partnership Program Grant. NR 16 TC 0 Z9 0 U1 3 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 8401405 DI 10.1109/TASC.2016.2535784 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DJ1DV UT WOS:000373944400001 ER PT J AU Touzani, S Van Buskirk, R AF Touzani, Samir Van Buskirk, Robert TI Estimating sales and sales market share from sales rank data for consumer appliances SO PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS LA English DT Article DE Sales rank; Log-normal distribution; Market average quantities; Price indices; Statistical model ID SCALING BEHAVIOR; ZIPFS LAW; DISTRIBUTIONS; EXPENDITURE; COMPANIES; GROWTH AB Our motivation in this work is to find an adequate probability distribution to fit sales volumes of different appliances. This distribution allows for the translation of sales rank into sales volume. This paper shows that the log-normal distribution and specifically the truncated version are well suited for this purpose. We demonstrate that using sales proxies derived from a calibrated truncated log-normal distribution function can be used to produce realistic estimates of market average product prices, and product attributes. We show that the market averages calculated with the sales proxies derived from the calibrated, truncated log-normal distribution provide better market average estimates than sales proxies estimated with simpler distribution functions. (C) 2016 Elsevier B.V. All rights reserved. C1 [Touzani, Samir; Van Buskirk, Robert] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Touzani, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM stouzani@lbl.gov FU US Department of Energy under Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the US Department of Energy under Lawrence Berkeley National Laboratory Contract No. DE-AC02-05CH11231. The authors are grateful to Dr. C. Anna Spurlock for her useful comments and constructive suggestions. The authors also would like to thank the editor and the anonymous referees for their useful comments and constructive suggestions. NR 24 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-4371 EI 1873-2119 J9 PHYSICA A JI Physica A PD JUN 1 PY 2016 VL 451 BP 266 EP 276 DI 10.1016/j.physa.2016.01.030 PG 11 WC Physics, Multidisciplinary SC Physics GA DI3TG UT WOS:000373420800024 ER PT J AU Mozhayev, AV Piper, RK Rathbone, BA McDonald, JC AF Mozhayev, Andrey V. Piper, Roman K. Rathbone, Bruce A. McDonald, Joseph C. TI Moderator design studies for a new neutron reference source based on the D-T fusion reaction SO RADIATION PHYSICS AND CHEMISTRY LA English DT Article DE D-T Generator; Cf-252; Neutron calibration; Workplace neutron spectra; Dosimetry ID GENERATOR; FACILITY AB The radioactive isotope Californium-252 (Cf-252) is relied upon internationally as a neutron calibration source for ionizing radiation dosimetry because of its high specific activity. The source may be placed within a heavy-water (D2O) moderating sphere to produce a softened spectrum representative of neutron fields common to commercial nuclear power plant environments, among others. Due to termination of the U.S. Department of Energy loan/lease program in 2012, the expense of obtaining Cf-252 sources has undergone a significant increase, rendering high output sources largely unattainable. On the other hand, the use of neutron generators in research and industry applications has increased dramatically in recent years. Neutron generators based on deuteriumtritium (D-T) fusion reaction provide high neutron fluence rates and, therefore, could possibly be used as a replacement for Cf-252. To be viable, the 14 MeV D-T output spectrum must be significantly moderated to approximate common workplace environments. This paper presents the results of an effort to select appropriate moderating materials and design a configuration to reshape the primary neutron field toward a spectrum approaching that from a nuclear power plant workplace. A series of Monte-Carlo (MCNP) simulations of single layer high- and low-Z materials are used to identify initial candidate moderators. Candidates are refined through a similar series of simulations involving combinations of 2-5 different materials. The simulated energy distribution using these candidate moderators are rated in comparison to a target spectrum. Other properties, such as fluence preservation and/or enhancement, prompt gamma production and other characteristics are also considered. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Mozhayev, Andrey V.; Piper, Roman K.; Rathbone, Bruce A.; McDonald, Joseph C.] Pacific NW Natl Lab, Battelle Blvd, Richland, WA 99352 USA. RP Piper, RK (reprint author), Pacific NW Natl Lab, Battelle Blvd, Richland, WA 99352 USA. EM andrey.mozhayev@pnnl.gov; kim.piper@pnnl.gov; bruce.rathbone@pnnl.gov; rpd.editor@charter.net FU Battelle for the U.S. Department of Energy FX The research described in this paper was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. NR 29 TC 1 Z9 1 U1 2 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-806X J9 RADIAT PHYS CHEM JI Radiat. Phys. Chem. PD JUN PY 2016 VL 123 BP 87 EP 96 DI 10.1016/j.radphyschem.2016.02.004 PG 10 WC Chemistry, Physical; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical SC Chemistry; Nuclear Science & Technology; Physics GA DI6ZW UT WOS:000373649900014 ER PT J AU Gao, W Havas, D Gupta, S Pan, Q He, NF Zhang, HG Wang, HL Wu, G AF Gao, Wei Havas, Dana Gupta, Shiva Pan, Qin He, Nanfei Zhang, Hanguang Wang, Hsing-Lin Wu, Gang TI Is reduced graphene oxide favorable for nonprecious metal oxygen-reduction catalysts? SO CARBON LA English DT Article ID NITROGEN-DOPED GRAPHENE; PROTON-EXCHANGE MEMBRANE; ELECTROLYTE FUEL-CELLS; CATHODE CATALYSTS; METHANOL ELECTROOXIDATION; PERFORMANCE DURABILITY; NANOSTRUCTURED CARBON; FEPT NANOPARTICLES; LI-O-2 BATTERIES; GRAPHITE OXIDE AB Reduced graphene oxide (rGO), as a newly emerged carbon material, has attracted great attention concerning its applications for electrocatalysts. Presently, there are mixed opinions regarding the advantages to using rGO as a support for preparing nonprecious metal catalysts for the oxygen reduction reaction (ORR). The primary goal of this work is to determine whether rGO would be favorable for nonprecious metal catalysis of oxygen reduction or not. In the case of Fe-free catalysts, when polyaniline (PANI) was used as nitrogen/carbon precursor, the PANI-rGO catalyst is superior to the PANI-Ketjenblack (KJ) carbon black catalyst in terms of ORR activity and H2O2 yield. When comparing the ORR activity of PANI-Fe-rGO to the traditional PANI-Fe-KJ, in more challenging acidic electrolyte, PANI-Fe-rGO performed no better than PANI-Fe-KJ. However, rGO does indeed enhance stability of the Fe-N-C catalyst in acidic media. In addition, in an alkaline electrolyte, ORR activity was significantly improved when using rGO in comparison to the KJ-supported Fe-N-C catalysts. Based on detailed comparisons of structures, morphologies, and reaction kinetics, the traditional KJ support with dominant microporous is able to accommodate more FeNx moieties that are crucial for the ORR in acid. Oppositely, the richness of nitrogen-doped graphene edge sites provided by rGO facilitates the ORR in the alkaline electrolyte. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Gao, Wei; Pan, Qin; He, Nanfei] N Carolina State Univ, Coll Text, Dept Text Engn Chem & Sci, Raleigh, NC 27695 USA. [Havas, Dana; Gupta, Shiva; Zhang, Hanguang; Wu, Gang] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA. [Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Phys Chem & Spect, POB 1663, Los Alamos, NM 87545 USA. RP Gao, W (reprint author), N Carolina State Univ, Coll Text, Dept Text Engn Chem & Sci, Raleigh, NC 27695 USA.; Wu, G (reprint author), SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.; Wang, HL (reprint author), Los Alamos Natl Lab, Div Chem, Phys Chem & Spect, POB 1663, Los Alamos, NM 87545 USA. EM wgao5@ncsu.edu; hwang@lanl.gov; gangwu@buffalo.edu RI Wu, Gang/E-8536-2010 OI Wu, Gang/0000-0003-4956-5208 FU University at Buffalo; Laboratory Directed Research & Development (LDRD) program at Los Alamos National Laboratory; College of Textiles at North Carolina State University FX G. Wu thanks the financial support from the start-up funding of University at Buffalo. H-L Wang and G. Wu are also grateful to the support from Laboratory Directed Research & Development (LDRD) program at Los Alamos National Laboratory. W. Gao thanks the start-up funding from the College of Textiles at North Carolina State University. NR 58 TC 9 Z9 9 U1 25 U2 147 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD JUN PY 2016 VL 102 BP 346 EP 356 DI 10.1016/j.carbon.2016.02.054 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DH5EL UT WOS:000372808200039 ER PT J AU Malik, SUR Khan, SU Ewen, SJ Tziritas, N Kolodziej, J Zomaya, AY Madani, SA Min-Allah, N Wang, LZ Xu, CZ Malluhi, QM Pecero, JE Balaji, P Vishnu, A Ranjan, R Zeadally, S Li, HX AF Malik, Saif Ur Rehman Khan, Samee U. Ewen, Sam J. Tziritas, Nikos Kolodziej, Joanna Zomaya, Albert Y. Madani, Sajjad A. Min-Allah, Nasro Wang, Lizhe Xu, Cheng-Zhong Malluhi, Qutaibah Marwan Pecero, Johnatan E. Balaji, Pavan Vishnu, Abhinav Ranjan, Rajiv Zeadally, Sherali Li, Hongxiang TI Performance analysis of data intensive cloud systems based on data management and replication: a survey SO DISTRIBUTED AND PARALLEL DATABASES LA English DT Article DE Replication; Data management; Cloud computing systems; Performance gradation; Data intensive computing ID ALLOCATION; NETWORK; STORAGE; DESIGN AB As we delve deeper into the 'Digital Age', we witness an explosive growth in the volume, velocity, and variety of the data available on the Internet. For example, in 2012 about 2.5 quintillion bytes of data was created on a daily basis that originated from myriad of sources and applications including mobile devices, sensors, individual archives, social networks, Internet of Things, enterprises, cameras, software logs, etc. Such 'Data Explosions' has led to one of the most challenging research issues of the current Information and Communication Technology era: how to optimally manage (e.g., store, replicated, filter, and the like) such large amount of data and identify new ways to analyze large amounts of data for unlocking information. It is clear that such large data streams cannot be managed by setting up on-premises enterprise database systems as it leads to a large up-front cost in buying and administering the hardware and software systems. Therefore, next generation data management systems must be deployed on cloud. The cloud computing paradigm provides scalable and elastic resources, such as data and services accessible over the Internet Every Cloud Service Provider must assure that data is efficiently processed and distributed in a way that does not compromise end-users' Quality of Service (QoS) in terms of data availability, data search delay, data analysis delay, and the like. In the aforementioned perspective, data replication is used in the cloud for improving the performance (e.g., read and write delay) of applications that access data. Through replication a data intensive application or system can achieve high availability, better fault tolerance, and data recovery. In this paper, we survey data management and replication approaches (from 2007 to 2011) that are developed by both industrial and research communities. The focus of the survey is to discuss and characterize the existing approaches of data replication and management that tackle the resource usage and QoS provisioning with different levels of efficiencies. Moreover, the breakdown of both influential expressions (data replication and management) to provide different QoS attributes is deliberated. Furthermore, the performance advantages and disadvantages of data replication and management approaches in the cloud computing environments are analyzed. Open issues and future challenges related to data consistency, scalability, load balancing, processing and placement are also reported. C1 [Malik, Saif Ur Rehman; Madani, Sajjad A.] COMSATS Inst Informat Technol, Islamabad, Pakistan. [Khan, Samee U.; Ewen, Sam J.] N Dakota State Univ, Fargo, ND 58105 USA. [Tziritas, Nikos] Shenzhen Inst Adv Technol, Shenzhen, Guangdong, Peoples R China. [Kolodziej, Joanna] Univ Bielsko Biala, Bielsko Biala, Poland. [Zomaya, Albert Y.] Univ Sydney, Sydney, NSW 2006, Australia. [Min-Allah, Nasro] Univ Dammam, Dammam, Saudi Arabia. [Wang, Lizhe] Chinese Acad Sci, Beijing, Peoples R China. [Xu, Cheng-Zhong] Wayne State Univ, Detroit, MI USA. [Malluhi, Qutaibah Marwan] Qatar Univ, Doha, Qatar. [Pecero, Johnatan E.] Univ Luxembourg, Walferdange, Luxembourg. [Balaji, Pavan] Argonne Natl Lab, Lemont, IL USA. [Vishnu, Abhinav] Pacific NW Natl Lab, Richland, WA 99352 USA. [Ranjan, Rajiv] CSIRO ICT Ctr, Marsfield, NSW, Australia. [Zeadally, Sherali] Univ Dist Columbia, Washington, DC 20008 USA. [Li, Hongxiang] Univ Louisville, Louisville, KY 40292 USA. RP Malik, SUR (reprint author), COMSATS Inst Informat Technol, Islamabad, Pakistan. EM saif_ur_rehman@comsats.edu.pk; samee.khan@ndsu.edu; ntziri@gmail.com; jkolodziej@ath.bielsko.pl; albert.zomaya@sydney.edu.au; madani@ciit.net.pk; lizhe.wang@gmail.com; czxu@wayne.edu; qmalluhi@qu.edu.qa; johnatan.pecero@uni.lu; balaji@mcs.anl.gov; abhinav.vishnu@pnl.gov; rajiv.ranjan@csiro.au; szeadlly@udc.edu; h.li@louisville.edu RI Ranjan, Rajiv/F-4700-2011; OI Wang, Lizhe/0000-0003-2766-0845 NR 129 TC 1 Z9 1 U1 11 U2 58 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0926-8782 EI 1573-7578 J9 DISTRIB PARALLEL DAT JI Distrib. Parallel Databases PD JUN PY 2016 VL 34 IS 2 BP 179 EP 215 DI 10.1007/s10619-015-7173-2 PG 37 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA DH7YI UT WOS:000373009700003 ER PT J AU Medeiros, CB Katz, DS AF Medeiros, Claudia Bauzer Katz, Daniel S. TI eScience today and tomorrow-Part 2 SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE LA English DT Editorial Material DE eScience; eResearch; elnfrastructure; Cyberinfrastructure; CDS&E ID INFRASTRUCTURE AB This special section contains the second part of a set of top papers from the 10th IEEE International eScience Conference (eScience 2014), held in October 2014 in Guaruja, Brazil). The authors of strongly reviewed papers published in that conference were invited to extend their papers, which then went through a second peer review. This special section contains the three papers that comprise the second set of the extended papers. Part 1, with another seven extended papers, was already published in a previous issue of FGCS [1]. (C) 2016 Published by Elsevier B.V. C1 [Medeiros, Claudia Bauzer] Univ Estadual Campinas, Inst Comp, Campinas, Brazil. [Katz, Daniel S.] Univ Chicago, CI, Chicago, IL 60637 USA. [Katz, Daniel S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Medeiros, CB (reprint author), Univ Estadual Campinas, Inst Comp, Campinas, Brazil. EM cmbm@ic.unicamp.br; d.katz@ieee.org RI UNICAMP, CCES - /J-7787-2015 NR 15 TC 1 Z9 1 U1 4 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X EI 1872-7115 J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD JUN PY 2016 VL 59 BP 93 EP 94 DI 10.1016/j.future.2015.12.010 PG 2 WC Computer Science, Theory & Methods SC Computer Science GA DH3NE UT WOS:000372692900006 ER PT J AU Katz, DS Merzky, A Zhang, Z Jha, S AF Katz, Daniel S. Merzky, Andre Zhang, Zhao Jha, Shantenu TI Application skeletons: Construction and use in eScience SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE LA English DT Article DE Computational science; Data science; Application modeling; System modeling; Performance modeling; Parallel and distributed systems AB Computer scientists who work on tools and systems to support eScience (a variety of parallel and distributed) applications usually use actual applications to prove that their systems will benefit science and engineering (e.g., improve application performance). Accessing and building the applications and necessary data sets can be difficult because of policy or technical issues, and it can be difficult to modify the characteristics of the applications to understand corner cases in the system design. In this paper, we present the Application Skeleton, a simple yet powerful tool to build synthetic applications that represent real applications, with runtime and I/O close to those of the real applications. This allows computer scientists to focus on the system they are building; they can work with the simpler skeleton applications and be sure that their work will also be applicable to the real applications. In addition, skeleton applications support simple reproducible system experiments since they are represented by a compact set of parameters. Our Application Skeleton tool (available as open source at https://github.com/applicationskeleton/Skeleton) currently can create easy-to-access, easy-to-build, and easy-to-run bag-of-task, (iterative) map reduce, and (iterative) multistage workflow applications. The tasks can be serial, parallel, or a mix of both. The parameters to represent the tasks can either be discovered through a manual profiling of the applications or through an automated method. We select three representative applications (Montage, BLAST, CyberShake Postprocessing), then describe and generate skeleton applications for each. We show that the skeleton applications have identical (or close) performance to that of the real applications. We then show examples of using skeleton applications to verify system optimizations such as data caching, I/O tuning, and task scheduling, as well as the system resilience mechanism, in some cases modifying the skeleton applications to emphasize some characteristic, and thus show that using skeleton applications simplifies the process of designing, implementing, and testing these optimizations. Published by Elsevier B.V. C1 [Katz, Daniel S.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Katz, Daniel S.] Argonne Natl Lab, Chicago, IL USA. [Merzky, Andre; Jha, Shantenu] Rutgers State Univ, RADICAL Lab, New Brunswick, NJ 08903 USA. [Zhang, Zhao] Univ Calif Berkeley, AMPLab, Berkeley, CA 94720 USA. RP Katz, DS (reprint author), Univ Chicago, Computat Inst, Chicago, IL 60637 USA. EM d.katz@ieee.org; andre@merzky.net; zhaozhang@eecs.berkeley.edu; shantenu.jha@rutgers.edu FU U.S. Department of Energy under the ASCR [DE-FG02-12ER26115, DE-SC0008617, DE-SC0008651]; National Science Foundation FX This work is part of the AIMES project, supported by the U.S. Department of Energy under the ASCR awards DE-FG02-12ER26115, DE-SC0008617, and DE-SC0008651. It has benefited from discussions with Matteo Turilli, Jon Weissman, Michael Wilde, Justin Wozniak, Lavanya Ramakrishnan, and Simon Caton. Computing resources were provided by the Argonne Leadership Computing Facility and Google. Work by Katz was supported by the National Science Foundation while working at the Foundation. Any opinion, finding, 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 49 TC 1 Z9 1 U1 3 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X EI 1872-7115 J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD JUN PY 2016 VL 59 BP 114 EP 124 DI 10.1016/j.future.2015.10.001 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA DH3NE UT WOS:000372692900009 ER PT J AU Ozeki, H Isono, T Uno, Y Kawano, K Kawasaki, T Ebisawa, N Okuno, K Kido, S Semba, T Suzuki, Y Ichimura, T Inoue, S Kuchiishi, Y Hasegawa, H Smirnov, A Martovetsky, N AF Ozeki, H. Isono, T. Uno, Y. Kawano, K. Kawasaki, T. Ebisawa, N. Okuno, K. Kido, S. Semba, T. Suzuki, Y. Ichimura, T. Inoue, S. Kuchiishi, Y. Hasegawa, H. Smirnov, A. Martovetsky, N. TI Manufacture and Quality Control of Insert Coil With Real ITER TF Conductor SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Central solenoid (CS) model coil; ITER; TF insert coil; toroidal field (TF) coil; toroidal field (TF) conductor AB JAEA successfully completed the manufacture of the toroidal field (TF) insert coil (TFIC) for a performance test of the ITER TF conductor in the final design in cooperation with Hitachi, Ltd. The TFIC is a single-layer 8.875-turn solenoid coil with 1.44-m diameter. This will be tested for 68-kA current application in a 13-T external magnetic field. TFIC was manufactured in the following order: winding of the TF conductor, lead bending, fabrication of the electrical termination, heat treatment, turn insulation, installation of the coil into the support mandrel structure, vacuum pressure impregnation (VPI), structure assembly, and instrumentation. In this presentation, manufacture process and quality control status for the TFIC manufacturing are reported. C1 [Ozeki, H.; Isono, T.; Uno, Y.; Kawano, K.; Kawasaki, T.; Ebisawa, N.; Okuno, K.] Japan Atom Energy Agcy, Ibaraki 3110193, Japan. [Kido, S.; Semba, T.; Suzuki, Y.; Ichimura, T.; Inoue, S.; Kuchiishi, Y.; Hasegawa, H.] Hitachi, Ibaraki 3178511, Japan. [Smirnov, A.; Martovetsky, N.] Oak Ridge Natl Lab, ITER Project Off, Oak Ridge, TN 37831 USA. RP Ozeki, H (reprint author), Japan Atom Energy Agcy, Ibaraki 3110193, Japan. EM ozeki.hidemasa@jaea.go.jp NR 9 TC 0 Z9 0 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4202504 DI 10.1109/TASC.2016.2537150 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DH9KR UT WOS:000373115500001 ER PT J AU Bornn, L Farrar, CR Higdon, D Murphy, KP AF Bornn, Luke Farrar, Charles R. Higdon, David Murphy, Kevin P. TI Modeling and diagnosis of structural systems through sparse dynamic graphical models SO MECHANICAL SYSTEMS AND SIGNAL PROCESSING LA English DT Article DE Damage detection; Changepoint detection; Covariance estimation; Bayesian vector autoregression; Graphical models ID TIME-SERIES METHODS; DAMAGE DETECTION; IDENTIFICATION AB Since their introduction into the structural health monitoring field, time-domain statistical models have been applied with considerable success. Current approaches still have several flaws, however, as they typically ignore the structure of the system, using individual sensor data for modeling and diagnosis. This paper introduces a Bayesian framework containing much of the previous work with autoregressive models as a special case. In addition, the framework allows for natural inclusion of structural knowledge through the form of prior distributions on the model parameters. Acknowledging the need for computational efficiency, we extend the framework through the use of decomposable graphical models, exploiting sparsity in the system to give models that are simple to fit and understand. This sparsity can be specified from knowledge of the system, from the data itself, or through a combination of the two. Using both simulated and real data, we demonstrate the capability of the model to capture the dynamics of the system and to provide clear indications of structural change and damage. We also demonstrate how learning the sparsity in the system gives insight into the structure's physical properties. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Bornn, Luke] Harvard Univ, Dept Stat, Cambridge, MA 02138 USA. [Farrar, Charles R.; Higdon, David] Los Alamos Natl Labs, Los Alamos, NM USA. [Murphy, Kevin P.] Google Res, Mountain View, CA USA. [Bornn, Luke] Simon Fraser Univ, Dept Stat & Actuarial Sci, Burnaby, BC V5A 1S6, Canada. [Higdon, David] Virginia Tech Univ, Blacksburg, VA USA. RP Bornn, L (reprint author), Harvard Univ, Dept Stat, Cambridge, MA 02138 USA.; Bornn, L (reprint author), Simon Fraser Univ, Dept Stat & Actuarial Sci, Burnaby, BC V5A 1S6, Canada. EM bornn@stat.harvard.edu OI Farrar, Charles/0000-0001-6533-6996 NR 39 TC 0 Z9 0 U1 2 U2 8 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0888-3270 J9 MECH SYST SIGNAL PR JI Mech. Syst. Signal Proc. PD JUN 1 PY 2016 VL 74 BP 133 EP 143 DI 10.1016/j.ymssp.2015.11.005 PG 11 WC Engineering, Mechanical SC Engineering GA DH3MW UT WOS:000372692100009 ER PT J AU Favalli, A Vo, D Grogan, B Jansson, P Liljenfeldt, H Mozin, V Schwalbach, P Sjoland, A Tobin, SJ Trellue, H Vaccaro, S AF Favalli, A. Vo, D. Grogan, B. Jansson, P. Liljenfeldt, H. Mozin, V. Schwalbach, P. Sjoland, A. Tobin, S. J. Trellue, H. Vaccaro, S. TI Determining initial enrichment, burnup, and cooling time of pressurized-water-reactor spent fuel assemblies by analyzing passive gamma spectra measured at the Clab interim-fuel storage facility in Sweden SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Passive gamma; Initial enrichment; Burnup; Cooling time; Nondestructive assay of spent fuel; Germanium detector; LaBr3 detector AB The purpose of the Next Generation Safeguards Initiative (NGSI)-Spent Fuel (SF) project is to strengthen the technical toolkit of safeguards inspectors and/or other interested parties. The NGSI-SF team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins; (3) estimate the plutonium mass [which is also a function of the variables in (1)1; (4) estimate the decay heat; and (5) determine the reactivity of spent fuel assemblies. Since August 2013, a set of measurement campaigns has been conducted at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab), in collaboration with Swedish Nuclear Fuel and Waste Management Company (SKB). One purpose of the measurement campaigns was to acquire passive gamma spectra with high -purity germanium and lanthanum bromide scintillation detectors from Pressurized Water Reactor and Boiling Water Reactor spent fuel assemblies. The absolute Cs-137 count rate and the E-154/Cs-137, Cs-134/Cs-137, Ru-106/Cs-137, and Ce-144/Cs-137 isotopic ratios were extracted; these values were used to construct corresponding model functions (which describe each measured quantity's behavior over various combinations of burnup, cooling time, and initial enrichment) and then were used to determine those same quantities in each measured spent fuel assembly. The results obtained in comparison with the operator declared values, as well as the methodology developed, are discussed in detail in the paper. (C) 2016 Published by Elsevier B.V. C1 [Favalli, A.; Vo, D.; Tobin, S. J.; Trellue, H.] Los Alamos Natl Lab, Los Alamos, NM USA. [Sjoland, A.] Swedish Nucl Fuel & Waste Management Co, Stockholm, Sweden. [Jansson, P.] Uppsala Univ, Uppsala, Sweden. [Schwalbach, P.; Vaccaro, S.] Euratom Safeguards Luxemburg, European Commiss, DG Energy, Luxembourg, Luxembourg. [Liljenfeldt, H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Mozin, V.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Favalli, A (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM afavalli@lan.gov FU Next Generation Safeguards Initiative (NGSI); Office of Nonproliferation and Arms Control (NPAC); National Nuclear Security Administration (NNSA); SKB's Central Interim Storage Facility for Spent Nuclear Fuel (Clab), Sweden FX The authors acknowledge the support of the Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and Arms Control (NPAC), National Nuclear Security Administration (NNSA), and SKB's Central Interim Storage Facility for Spent Nuclear Fuel (Clab), Sweden. Suggestions made by anonymous reviewers have helped to refine this article, and we acknowledge them here. NR 20 TC 3 Z9 3 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2016 VL 820 BP 102 EP 111 DI 10.1016/j.nima.2016.02.072 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DI0LZ UT WOS:000373189200015 ER PT J AU Becchetti, FD Raymond, RS Torres-Isea, RO Di Fulvio, A Clarke, SD Pozzi, SA Febbraro, M AF Becchetti, F. D. Raymond, R. S. Torres-Isea, R. O. Di Fulvio, A. Clarke, S. D. Pozzi, S. A. Febbraro, M. TI Deuterated-xylene (xylene-d(10); EJ301D): A new, improved deuterated liquid scintillator for neutron energy measurements without time-of-flight SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutron detection; Neutron spectroscopy; Neutron scintillators; Deuterated scintillators; Nuclear safeguards ID ORGANIC SCINTILLATORS; D(D,N)HE-3; DEUTERONS; SPECTRUM; DETECTOR AB In conjunction with Eljen Technology, Inc. (Sweetwater,TX) we have designed, constructed, and evaluated a 3 in. x 3 in. deuterated-xylene organic liquid scintillator (C8D10; EJ301D) as a fast neutron detector. Similar to deuterated benzene (C6D6; NE230, BC537, and E1315) this scintillator can provide good pulse shape discrimination between neutrons and gamma rays, has good timing characteristics, and can provide a light spectrum with peaks corresponding to discrete neutron energy groups up to ca. 20 MeV. Unlike benzene -based detectors, deuterated xylene is less volatile, less toxic, is not known to be carcinogenic, has a higher flashpoint, and hence is much safer for many applications. In addition E1301D can provide slightly more light output and better PSD than deuterated-benzene scintillators. We show that, as with deuterated-benzene scintillators, the light -response spectra can be unfolded to provide useable neutron energy spectra without need for time-of-flight (ToF). An array of these detectors arranged at many angles close to a reaction target can be much more effective ( x 10 to x 100 or more) than an array of long-path ToF detectors which must utilize a narrowly-bunched and pulse-selected beam. As we demonstrate using a small Van de Graaff accelerator, measurements can thus be performed when a bunched and pulse -selected beam (as needed for time-of-flight) is not available. (C) 2016 Elsevier B.V. All rights reserved. C1 [Becchetti, F. D.; Raymond, R. S.; Torres-Isea, R. O.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Di Fulvio, A.; Clarke, S. D.; Pozzi, S. A.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Febbraro, M.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Becchetti, FD (reprint author), Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. OI Febbraro, Michael/0000-0002-0347-2260 FU NSF [PHY 14-01242]; Consortium for Verification Technology under Department of Energy National Nuclear Security Administration [DE-NA 0002534] FX We thank Mr. O. Toader and the staff at the UM MIBL for their assistance in the (d,n) accelerator measurements. This work was funded in part by NSF Grant PHY 14-01242 and the Consortium for Verification Technology under Department of Energy National Nuclear Security Administration award number DE-NA 0002534. NR 29 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2016 VL 820 BP 112 EP 120 DI 10.1016/j.nima.2016.02.058 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DI0LZ UT WOS:000373189200016 ER PT J AU Antimonov, MA Khounsary, AM Sandy, AR Narayanan, S Navrotski, G AF Antimonov, M. A. Khounsary, A. M. Sandy, A. R. Narayanan, S. Navrotski, G. TI On the influence of monochromator thermal deformations on X-ray focusing SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Synchrotron X-ray Radiation; Focusing; Monochromator; Thermal Deformations; Cooling ID CRYOGENIC SILICON; OPTICAL-ELEMENTS; HEAT LOADS AB A cooled double crystal monochromator system is used on many high heat load X-ray synchrotron radiation beamlines in order to select, by diffraction, a narrow spectrum of the beam. Thermal deformation of the first crystal monochromator - and the potential loss of beam brightness - is often a concern. However, if downstream beam focusing is planned, the lensing effect of the monochromator must be considered even if thermal deformations are small. In this paper we report on recent experiments at an Advanced Photon Source (APS) beamline that focuses the X-ray beam using compound refractive lenses downstream of an X-ray monochromator system. Increasing the X-ray beam power by increasing the storage ring current from 100 mA to 130 mA resulted in an effective doubling of the focal distance. We show quantitatively that this is due to a lensing effect of the distorted monochromator that results in the creation of a virtual source downstream of the actual source. An analysis of the defocusing and options to mitigate this effect are explored. (C) 2016 Elsevier B.V. All rights reserved. C1 [Khounsary, A. M.] IIT, Dept Phys, 3101 S Dearborn St, Chicago, IL 60616 USA. [Antimonov, M. A.; Khounsary, A. M.] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. [Antimonov, M. A.; Sandy, A. R.; Narayanan, S.; Navrotski, G.] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Antimonov, M. A.] Peter Great St Petersburg Polytech Univ, St Petersburg 195251, Russia. RP Khounsary, AM (reprint author), IIT, Dept Phys, 3101 S Dearborn St, Chicago, IL 60616 USA. EM amk@iit.edu FU DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX The encouragement and cooperation of Prof. F. Mashayek (UIC) is graciously acknowledged. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract no. DE-AC02-06CH11357. NR 22 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2016 VL 820 BP 164 EP 171 DI 10.1016/j.nima.2016.02.103 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DI0LZ UT WOS:000373189200023 ER PT J AU Yang, QC Zhang, XS Xu, XY Asrar, GR Smith, RA Shih, JS Duan, SW AF Yang, Qichun Zhang, Xuesong Xu, Xingya Asrar, Ghassem R. Smith, Richard A. Shih, Jhih-Shyang Duan, Shuiwang TI Spatial patterns and environmental controls of particulate organic carbon in surface waters in the conterminous United States SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Particulate organic carbon; Spatial variability; Environmental control; Uncertainty ID SOIL-EROSION; LAND-USE; FRESH-WATER; TEMPORAL VARIABILITY; SEDIMENT TRANSPORT; LOWER MISSISSIPPI; COASTAL OCEAN; HUDSON RIVER; FLUXES; EXPORT AB Carbon cycling in inland waters has been identified as an important, but poorly constrained component of the global carbon cycle. In this study, we compile and analyze particulate organic carbon (POC) concentration data from 1145 U.S. Geological Survey (USGS) gauge stations to investigate the spatial variability and environmental controls of POC concentration. We observe substantial spatial variability in POC concentration (1.43 +/- 2.56 mgC/L, mean +/- one standard deviation), with the Upper Mississippi River basin and the Piedmont region in the eastern U.S. having the highest POC concentration. Further, we employ generalized linear models (GLMs) to analyze the impacts of sediment transport and algae growth as well as twenty-one other environmental factors on the POC variability. Suspended sediment and chlorophyll-a explain 26% and 17% of the variability in POC concentration, respectively. At the national level, the twenty-one environmental factors combined can explain ca. 40% of the spatial variance in POC concentration. At the national scale, urban area and soil clay content show significant negative correlations with POC concentration, whereas soil water content and soil bulk density correlate positively with POC. In addition, total phosphorus concentration and dam density correlate positively with POC concentration. Furthermore, regional scale analyses reveal substantial variation in environmental controls of POC concentration across eighteen major water resource regions in the U.S. The POC concentration and associated environmental controls also vary non-monotonically from headwaters to large rivers. These findings indicate complex interactions among multiple factors in regulating POC concentration over different spatial scales and across various sections of the river networks. This complexity, together with the large unexplained uncertainty, highlights the need for considering non-linear interplays of multiple environmental factors and developing appropriate methodologies to track the transformation and transport of POC along the terrestrial-aquatic interfaces. (C) 2016 Elsevier B.V. All rights reserved. C1 [Yang, Qichun; Zhang, Xuesong; Xu, Xingya; Asrar, Ghassem R.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Zhang, Xuesong] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Xu, Xingya] Tsinghua Univ, Dept Hydraul Engn, Beijing 100084, Peoples R China. [Smith, Richard A.] US Geol Survey, MS Natl Ctr 413, Reston, VA 20192 USA. [Shih, Jhih-Shyang] Resources Future Inc, 1616 P St NW, Washington, DC 20036 USA. [Duan, Shuiwang] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, 5825 Univ Res Court,4049, College Pk, MD 20740 USA. RP Zhang, XS (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM xuesong.zhang@pnnl.gov RI zhang, xuesong/B-7907-2009 FU NASA [NNH13ZDA001N, NNH12AU03I]; DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494, KP1601050]; DOE Great Lakes Bioenergy Research Center (DOE EERE) [OBP 20469-19145] FX We sincerely appreciate the valuable comments provided by the anonymous reviewers. This work was funded by the NASA New Investigator Award (NIP, NNH13ZDA001N) and Terrestrial Ecology Program (NNH12AU03I) as part of the North American Carbon Program, and the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494, DOE BER Office of Science KP1601050, DOE EERE OBP 20469-19145). NR 66 TC 1 Z9 1 U1 4 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 EI 1879-1026 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD JUN 1 PY 2016 VL 554 BP 266 EP 275 DI 10.1016/j.scitotenv.2016.02.164 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA DI1RZ UT WOS:000373274700030 PM 26956174 ER PT J AU Fabbricatore, P Ambrosio, G Cheban, S Evbota, D Farinon, S Lamm, M Lopes, M Musenich, R Wands, R Masullo, G AF Fabbricatore, P. Ambrosio, G. Cheban, S. Evbota, D. Farinon, S. Lamm, M. Lopes, M. Musenich, R. Wands, R. Masullo, G. TI Mu2e Transport Solenoid Prototype Design and Manufacturing SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator Magnets; solenoids; superconducting magnets ID DETECTOR AB The Mu2e Transport Solenoid consists of 52 coils arranged in 27 coil modules that form the S-shaped cold mass. Each coil is wound from Al-stabilized NbTi superconductor. The coils are supported by an external structural aluminum shell machined from a forged billet. Most of the coil modules house two coils, with the axis of each coil oriented at an angle of approximately 5 degrees with respect to each other. The coils are indirectly cooled with LHe circulating in tubes welded on the shell. In order to enhance the cooling capacity, pure aluminum sheets connect the inner bore of the coils to the cooling tubes. The coils are placed inside the shell by the means of a shrink-fit procedure. A full-size prototype, with all the features of the full assembly, was successfully manufactured in a collaboration between INFN Genova and Fermilab. In order to ensure an optimal mechanical prestress at the coil-shell interface, the coils are inserted into the shell through a shrink-fitting process. We present the details of the prototype with the design choices as validated by the structural analysis. The fabrication steps are described as well. C1 [Fabbricatore, P.; Farinon, S.; Musenich, R.] Ist Nazl Fis Nucl, Sez Genova, Via Dodecaneso 33, I-16146 Genoa, Italy. [Ambrosio, G.; Cheban, S.; Evbota, D.; Lamm, M.; Lopes, M.; Wands, R.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Masullo, G.] ASG Superconductors, I-16133 Genoa, Italy. RP Fabbricatore, P (reprint author), Ist Nazl Fis Nucl, Sez Genova, Via Dodecaneso 33, I-16146 Genoa, Italy. EM pasquale.fabbricatore@ge.infn.it OI Fabbricatore, Pasquale/0000-0003-0683-5909 NR 8 TC 1 Z9 1 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4500505 DI 10.1109/TASC.2016.2527502 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DH0CA UT WOS:000372448900001 ER PT J AU Kashikhin, VS Borland, M Chlachidze, G Decker, G Dejus, R DiMarco, J Doose, CL Gardner, TJ Harding, DJ Jaski, MS Kerby, JS Makarov, AV AF Kashikhin, V. S. Borland, M. Chlachidze, G. Decker, G. Dejus, R. DiMarco, J. Doose, C. L. Gardner, T. J. Harding, D. J. Jaski, M. S. Kerby, J. S. Makarov, A. V. TI Longitudinal Gradient Dipole Magnet Prototype for APS at ANL SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator; design; dipole magnet; fabrication; magnetic measurements; photon source AB An upgrade of the Advanced Photon Source is being planned at Argonne National Laboratory (ANL). The main goal of the upgrade is to improve the storage ring performance based on more advanced optics. One of the key magnet system elements is bending dipole magnets having a field strength change along the electron beam path. A prototype of one such longitudinal gradient dipole magnet has been designed, built, and measured in a collaborative effort of ANL and Fermilab. This paper discusses various magnetic design options, the selected magnet design, and the fabrication technology. The prototype magnet has been measured by rotational coils, a stretched wire, and a Hall probe. Measurement results are discussed and compared with simulations. C1 [Kashikhin, V. S.; Chlachidze, G.; DiMarco, J.; Gardner, T. J.; Harding, D. J.; Makarov, A. V.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Borland, M.; Decker, G.; Dejus, R.; Doose, C. L.; Jaski, M. S.; Kerby, J. S.] Argonne Natl Lab, Lemont, IL 60439 USA. RP Kashikhin, VS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM kash@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported in part by the Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 7 TC 0 Z9 0 U1 2 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4002505 DI 10.1109/TASC.2016.2521896 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DH4JA UT WOS:000372750500001 ER PT J AU Lopes, M Ambrosio, G Badgley, K DiMarco, J Evbota, D Fabbricatore, P Farinon, S Feher, S Friedsam, H Galt, A Hays, S Hocker, J Kim, MJ Kokoska, L Koshelev, S Kotelnikov, S Lamm, M Makulski, A Marchevsky, M Nehring, R Nogiec, J Orris, D Pilipenko, R Rabehl, R Santini, C Sylvester, C Tartaglia, M AF Lopes, M. Ambrosio, G. Badgley, K. DiMarco, J. Evbota, D. Fabbricatore, P. Farinon, S. Feher, S. Friedsam, H. Galt, A. Hays, S. Hocker, J. Kim, M. J. Kokoska, L. Koshelev, S. Kotelnikov, S. Lamm, M. Makulski, A. Marchevsky, M. Nehring, R. Nogiec, J. Orris, D. Pilipenko, R. Rabehl, R. Santini, C. Sylvester, C. Tartaglia, M. TI Mu2e Transport Solenoid Prototype Tests Results SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Electromagnets; solenoids; superconducting magnets AB The Fermilab Mu2e experiment has been developed to search for evidence of charged lepton flavor violation through the direct conversion of muons into electrons. The transport solenoid is an s-shaped magnet that guides the muons from the source to the stopping target. It consists of 52 superconducting coils arranged in 27 coil modules. A full-size prototype coil module, with all the features of a typical module of the full assembly, was successfully manufactured by a collaboration between INFN-Genoa and Fermilab. The prototype contains two coils that can be powered independently. To validate the design, the magnet went through an extensive test campaign. Warm tests included magnetic measurements with a vibrating stretched wire and electrical and dimensional checks. The cold performance was evaluated by a series of power tests and temperature dependence and minimum quench energy studies. C1 [Lopes, M.; Ambrosio, G.; DiMarco, J.; Evbota, D.; Feher, S.; Friedsam, H.; Galt, A.; Hays, S.; Hocker, J.; Kim, M. J.; Kokoska, L.; Koshelev, S.; Kotelnikov, S.; Lamm, M.; Makulski, A.; Nehring, R.; Nogiec, J.; Orris, D.; Pilipenko, R.; Rabehl, R.; Santini, C.; Sylvester, C.; Tartaglia, M.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Badgley, K.] Texas A&M Univ, College Stn, TX 77843 USA. [Fabbricatore, P.; Farinon, S.] INFN, Sez Genova, I-16146 Genoa, Italy. [Marchevsky, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lopes, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mllopes@fnal.gov FU FRA under DOE [DE-AC02-07CH11359] FX This work was supported by FRA under DOE Contract DE-AC02-07CH11359. NR 13 TC 2 Z9 2 U1 1 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4101105 DI 10.1109/TASC.2016.2526619 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DG9IO UT WOS:000372396200001 ER PT J AU Zhai, Y Kessel, C El-Guebaly, L Titus, P AF Zhai, Y. Kessel, C. El-Guebaly, L. Titus, P. TI Magnet Design Considerations for Fusion Nuclear Science Facility SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cable-in-conduit conductors; material radiation limits; next-step fusion reactors; superconducting fusion magnet design ID RESEARCH-AND-DEVELOPMENT AB The Fusion Nuclear Science Facility (FNSF) is a nuclear confinement facility that provides a fusion environment with components of the reactor integrated together to bridge the technical gaps of burning plasma and nuclear science between the International Thermonuclear Experimental Reactor (ITER) and the demonstration power plant (DEMO). Compared with ITER, the FNSF is smaller in size but generates much higher magnetic field, i.e., 30 times higher neutron fluence with three orders of magnitude longer plasma operation at higher operating temperatures for structures surrounding the plasma. Input parameters to the magnet design from system code analysis include magnetic field of 7.5 T at the plasma center with a plasma major radius of 4.8 m and a minor radius of 1.2 m and a peak field of 15.5 T on the toroidal field (TF) coils for the FNSF. Both low-temperature superconductors (LTS) and high-temperature superconductors (HTS) are considered for the FNSF magnet design based on the state-of-the-art fusion magnet technology. The higher magnetic field can be achieved by using the high-performance ternary restacked-rod process Nb3Sn strands for TF magnets. The circular cable-in-conduit conductor (CICC) design similar to ITER magnets and a high-aspect-ratio rectangular CICC design are evaluated for FNSF magnets, but low-activation-jacket materials may need to be selected. The conductor design concept and TF coil winding pack composition and dimension based on the horizontal maintenance schemes are discussed. Neutron radiation limits for the LTS and HTS superconductors and electrical insulation materials are also reviewed based on the available materials previously tested. The material radiation limits for FNSF magnets are defined as part of the conceptual design studies for FNSF magnets. C1 [Zhai, Y.; Kessel, C.; Titus, P.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [El-Guebaly, L.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. RP Zhai, Y (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. EM yzhai@pppl.gov; elguebaly@engr.wisc.edu FU United States Department of Energy [DE-AC02-09CH11466] FX This work was supported by the United States Department of Energy under Grant DE-AC02-09CH11466. (Corresponding author: Y. Zhai.) NR 20 TC 2 Z9 2 U1 19 U2 47 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4202305 DI 10.1109/TASC.2016.2532921 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DH4JH UT WOS:000372751200001 ER PT J AU Du, EH Di Vittorio, A Collins, WD AF Du, Enhao Di Vittorio, Alan Collins, William D. TI Evaluation of hydrologic components of community land model 4 and bias identification SO INTERNATIONAL JOURNAL OF APPLIED EARTH OBSERVATION AND GEOINFORMATION LA English DT Article DE CLM4; Surface soil moisture; Runoff; Historical evaluation; Bias test ID SOIL-MOISTURE RETRIEVAL; AMSR-E; SYSTEM MODEL; CLIMATE; PRODUCTS; IMPACT; SIMULATIONS; SMOS AB Runoff and soil moisture are two key components of the global hydrologic cycle that should be validated at local to global scales in Earth System Models (ESMs) used for climate projection. We have evaluated the runoff and surface soil moisture output by the Community Climate System Model (CCSM) along with 8 other models from the Coupled Model Intercomparison Project (CMIP5) repository using satellite soil moisture observations and stream gauge corrected runoff products. A series of Community Land Model (CLM) runs forced by reanalysis and coupled model outputs was also performed to identify atmospheric drivers of biases and uncertainties in the CCSM. Results indicate that surface soil moisture simulations tend to be positively biased in high latitude areas by most selected CMIP5 models except CCSM, FGOALS, and BCC, which share similar land surface model code. With the exception of GISS, runoff simulations by all selected CMIP5 models were overestimated in mountain ranges and in most of the Arctic region. In general, positive biases in CCSM soil moisture and runoff due to precipitation input error were offset by negative biases induced by temperature input error. Excluding the impact from atmosphere modeling, the global mean of seasonal surface moisture oscillation was out of phase compared to observations in many years during 1985-2004. The CLM also underestimated runoff in the Amazon, central Africa, and south Asia, where soils all have high clay content. We hypothesize that lack of a macropore flow mechanism is partially responsible for this underestimation. However, runoff was overestimated in the areas covered by volcanic ash soils (i.e., Andisols), which might be associated with poor soil porosity representation in CLM. Our results indicate that CCSM predictability of hydrology could be improved by addressing the compensating errors associated with precipitation and temperature and updating the CLM soil representation. Published by Elsevier B.V. C1 [Du, Enhao; Di Vittorio, Alan; Collins, William D.] Lawrence Berkeley Natl Lab, Climate Sci Dept, Berkeley, CA USA. [Collins, William D.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Du, EH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, One Cyclotron Rd,M-S 74R316C, Berkeley, CA 94720 USA. EM enhaodu@gmail.com RI Collins, William/J-3147-2014; Di Vittorio, Alan/M-5325-2013 OI Collins, William/0000-0002-4463-9848; Di Vittorio, Alan/0000-0002-8139-4640 FU U.S. Department of Energy, Office of Science, Climate and Environmental Sciences Division, BER Program [DE-AC02-05CH11231] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Climate and Environmental Sciences Division, BER Program, under Contract Number DE-AC02-05CH11231. NR 54 TC 0 Z9 0 U1 3 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0303-2434 J9 INT J APPL EARTH OBS JI Int. J. Appl. Earth Obs. Geoinf. PD JUN PY 2016 VL 48 BP 5 EP 16 DI 10.1016/j.jag.2015.03.013 PG 12 WC Remote Sensing SC Remote Sensing GA DH3JC UT WOS:000372682300002 ER PT J AU Krishnan, V McCalley, JD AF Krishnan, Venkat McCalley, James D. TI The role of bio-renewables in national energy and transportation systems portfolio planning for low carbon economy SO RENEWABLE ENERGY LA English DT Article DE Bio-power; Biofuels; Feedstock; Energy infrastructure planning; Environmental impacts ID GREENHOUSE-GAS EMISSIONS; ELECTRICITY; BIOMASS; MODEL AB Bio-power and biofuels are promising alternative energy resources. This paper investigates their role in the long-term U.S. national energy and transportation portfolio planning, while considering the competition among other energy options. The paper presents a systematic modeling framework for integrating biomass pathways to the energy and transportation systems, and also captures the geographical variation in the feedstock availability and cost across the U.S. The paper then presents two different case studies-energy sector planning and integrated energy & transportation sectors planning. The studies reveal long-term cost and emission savings from bio-renewables, where the bulk of benefits are observed due to biofuels (with bio-power production limited by feedstock prices). Under a 40% CO2 emissions reduction scenario over the next 40 years, penetration of bio-renewables promise up to 10-Trillion USD (2010$) savings in system costs (investments and operational). Simulations also show that the impediment with bio-renewable penetration is mostly influenced by the availability of low-cost feedstock, specifically for bio-power production. According to current estimation of long-term feedstock availability, U.S will be able to power upto 150 Billion Gallons Year (BGY) (or approx. 560*10(9) L per year) bio-refinery capacity around 2020s, and about 200 BGY (or approx. 750*10(9) L per year) by 2050. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Krishnan, Venkat; McCalley, James D.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50014 USA. [Krishnan, Venkat] NREL, Golden, CO 80401 USA. RP Krishnan, V (reprint author), Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50014 USA.; Krishnan, V (reprint author), NREL, Golden, CO 80401 USA. EM venky83krish@gmail.com OI Krishnan, Venkat K/0000-0002-7788-0670 FU National Science Foundation [0835989] FX This material is based upon the work supported by the National Science Foundation, under Grant No. 0835989. The authors would like to acknowledge Dr. Trieu Mai at National Renewable Energy Laboratory (NREL), Golden, USA for his comments. Opinions expressed in this paper, however, as well as any errors or omissions, are the authors' alone. NR 52 TC 2 Z9 2 U1 6 U2 50 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD JUN PY 2016 VL 91 BP 207 EP 223 DI 10.1016/j.renene.2016.01.052 PG 17 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG9DK UT WOS:000372382800021 ER PT J AU Sharma, K Kim, YH Yiacoumi, S Gabitto, J Bilheux, HZ Santodonato, LJ Mayes, RT Dai, S Tsouris, C AF Sharma, K. Kim, Y. -H. Yiacoumi, S. Gabitto, J. Bilheux, H. Z. Santodonato, L. J. Mayes, R. T. Dai, S. Tsouris, C. TI Analysis and simulation of a blue energy cycle SO RENEWABLE ENERGY LA English DT Article DE Blue energy; Neutron imaging; Salinity-gradient energy ID PRESSURE-RETARDED OSMOSIS; NANOPOROUS CARBON SUPERCAPACITORS; CAPACITIVE DEIONIZATION; NEUTRON-RADIOGRAPHY; POROUS-ELECTRODES; SALINITY DIFFERENCES; CONCENTRATED BRINES; AQUEOUS-SOLUTIONS; RENEWABLE ENERGY; ROOT-GROWTH AB The mixing process of fresh water and seawater releases a significant amount of energy and is a potential source of renewable energy. The so called 'blue energy' or salinity-gradient energy can be harvested by a device consisting of carbon electrodes immersed in an electrolyte solution, based on the principle of capacitive double layer expansion (CDLE). In this study, we have investigated the feasibility of energy production based on the CDLE principle. Experiments and computer simulations were used to study the process. Mesoporous carbon materials, synthesized at the Oak Ridge National Laboratory, were used as electrode materials in the experiments. Neutron imaging of the blue energy cycle was conducted with cylindrical mesoporous carbon electrodes and 0.5 M lithium chloride as the electrolyte solution. For experiments conducted at 0.6 V and 0.9 V applied potential, a voltage increase of 0.061 V and 0.054 V was observed, respectively. From sequences of neutron images obtained for each step of the blue energy cycle, information on the direction and magnitude of lithium ion transport was obtained. A computer code was developed to simulate the process. Experimental data and computer simulations allowed us to predict energy production. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Sharma, K.; Kim, Y. -H.; Yiacoumi, S.; Tsouris, C.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Gabitto, J.] Prairie View A&M Univ, Prairie View, TX 77446 USA. [Bilheux, H. Z.; Santodonato, L. J.; Mayes, R. T.; Dai, S.; Tsouris, C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tsouris, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tsourisc@ornl.gov RI Mayes, Richard/G-1499-2016; Dai, Sheng/K-8411-2015; Santodonato, Louis/A-9523-2015; Bilheux, Hassina/H-4289-2012; Tsouris, Costas/C-2544-2016 OI Mayes, Richard/0000-0002-7457-3261; Dai, Sheng/0000-0002-8046-3931; Santodonato, Louis/0000-0002-4600-685X; Bilheux, Hassina/0000-0001-8574-2449; Tsouris, Costas/0000-0002-0522-1027 FU Laboratory Director's Research and Development Seed Program of ORNL; U.S. Department of Energy [DE-AC05-00OR22725]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation [CBET-0651683] FX This research was partially supported by the Laboratory Director's Research and Development Seed Program of ORNL. ORNL is managed by UT-Battelle, LLC, under Contract DE-AC05-00OR22725 with the U.S. Department of Energy. A portion of this research at the Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Partial support to S.Y., K.S., and Y.-H.K. was provided by the National Science Foundation, under Grant No. CBET-0651683. The authors are thankful to Jean Bilheux for his help with the neutron image analysis and James Kiggans Jr. and David DePaoli for their contributions in electrode preparation. NR 47 TC 1 Z9 1 U1 12 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD JUN PY 2016 VL 91 BP 249 EP 260 DI 10.1016/j.renene.2016.01.044 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG9DK UT WOS:000372382800024 ER PT J AU Moller, NJ Kim, H Neary, VS Garcia, MH Chamorro, LP AF Moeller, N. J. Kim, H. Neary, V. S. Garcia, M. H. Chamorro, L. P. TI On the near-wall effects induced by an axial-flow rotor SO RENEWABLE ENERGY LA English DT Article DE Bed shear stress; Channel flow; Hydrokinetic energy; Axial-flow turbines ID OPEN-CHANNEL FLOW; TURBULENT-BOUNDARY-LAYER; REYNOLDS-NUMBER; LARGE-SCALE; TIDAL TURBINES; WAKE; IMPACTS; REGION AB Laboratory experiments were performed to quantify the near-wall flow characteristics and the bed shear stress in the vicinity of an axial-flow rotor model. It was placed in a smooth-wall open channel flow under subcritical conditions and operated at two heights. A laser Doppler velocimeter was used to collect. profiles of the streamwise and vertical velocity at few locations within the rotor symmetry plane as close as one wall unit from the bed. Local estimates of the mean bed shear stress were obtained from the mean velocity profiles in the viscous and logarithmic regions. Results show that the bed shear stress is sensitive to the distance from the rotor and to the relative height of the rotor. Maximum bed shear stress occurred downstream of the rotor with the rotor closer to the bed. Flow statistics shows a reduction of turbulence intensity and turbulent shear stress near the wall and close to the rotor due to flow acceleration and changes in the pressure distribution. Spectral analysis of the streamwise velocity evidences a reduction of the energy content across scales spanning two decades right below the turbine. The increase of bed shear is due to mainly flow accelerating but not to turbulence. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Moeller, N. J.; Garcia, M. H.; Chamorro, L. P.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Kim, H.; Chamorro, L. P.] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Neary, V. S.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Chamorro, LP (reprint author), Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. EM lpchamo@illinois.edu OI Chamorro, Leonardo/0000-0002-5199-424X FU Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign; Chester and Helen Siess Professorship in Civil Engineering; DURIP grant from the Office of Naval Research [N00014-06-1-0661] FX This work was supported by the Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, as part of the start-up package of Leonardo P. Chamorro. NJM was supported by the Chester and Helen Siess Professorship in Civil Engineering. The LDV system was obtained through a DURIP grant from the Office of Naval Research (N00014-06-1-0661) to Prof. Marcelo Garcia. NR 40 TC 0 Z9 0 U1 3 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD JUN PY 2016 VL 91 BP 524 EP 530 DI 10.1016/j.renene.2016.01.051 PG 7 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG9DK UT WOS:000372382800051 ER PT J AU Michalak, SE Morris, CN AF Michalak, Sarah E. Morris, Carl N. TI Posterior Propriety for Hierarchical Models with Log-Likelihoods That Have Norm Bounds SO BAYESIAN ANALYSIS LA English DT Article DE exponentiated norm bound; generalized linear mixed model; hierarchical generalized linear model; improper prior; multilevel objective Bayes ID GENERALIZED LINEAR-MODELS; MIXED MODELS; REGRESSION-MODELS; BAYESIAN-ANALYSIS; IMPROPER PRIORS; NONINFORMATIVE PRIORS; LOGISTIC-REGRESSION; EXISTENCE; INFERENCE; MLE AB Statisticians often use improper priors to express ignorance or to provide good frequency properties, requiring that posterior propriety be verified. This paper addresses generalized linear mixed models, GLMMs, when Level I parameters have Normal distributions, with many commonly-used hyperpriors. It provides easy-to-verify sufficient posterior propriety conditions based on dimensions, matrix ranks, and exponentiated norm bounds, ENBs, for the Level I likelihood. Since many familiar likelihoods have ENBs, which is often verifiable via log-concavity and MLE finiteness, our novel use of ENBs permits unification of posterior propriety results and posterior MGF/moment results for many useful Level I distributions, including those commonly used with multilevel generalized linear models, e.g., GLMMs and hierarchical generalized linear models, HGLMs. Those who need to verify existence of posterior distributions or of posterior MGFs/moments for a multilevel generalized linear model given a proper or improper multivariate F prior as in Section 1 should find the required results in Sections 1 and 2 and Theorem 3 (GLMMs), Theorem 4 (HGLMs), or Theorem 5 (posterior MGFs/moments). C1 [Michalak, Sarah E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. [Morris, Carl N.] Harvard Univ, Cambridge, MA 02138 USA. RP Michalak, SE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.; Morris, CN (reprint author), Harvard Univ, Cambridge, MA 02138 USA. EM michalak@lanl.gov; morris@stat.harvard.edu FU Management Science Group, U.S. Department of Veterans Affairs, Bedford, MA; Center for Health Quality, Outcomes, and Economic Research, U.S. Department of Veterans Affairs, Bedford, MA; NSF [DMS-97-05156] FX The authors thank Ted Stefos, Jim Burgess, and Cindy Christiansen for their collaboration on the VA hospital profiling work that motivated this research, Scott Vander Wiel for providing an alternative proof of Lemma 5, Joe Blitzstein for helpful discussions, Nick Hengartner for reading an early draft of this work, and the editor and a referee for their very useful comments. Dr. Michalak's research was partially supported by the Management Science Group, U.S. Department of Veterans Affairs, Bedford, MA. Dr. Morris' research was partially supported by the Management Science Group, U.S. Department of Veterans Affairs, Bedford, MA; The Center for Health Quality, Outcomes, and Economic Research, U.S. Department of Veterans Affairs, Bedford, MA; and NSF grant DMS-97-05156. NR 49 TC 0 Z9 0 U1 1 U2 4 PU INT SOC BAYESIAN ANALYSIS PI PITTSBURGH PA CARNEGIE MELLON UNIV, DEPT STTISTICS, PITTSBURGH, PA 15213 USA SN 1931-6690 EI 1936-0975 J9 BAYESIAN ANAL JI Bayesian Anal. PD JUN PY 2016 VL 11 IS 2 BP 545 EP 571 DI 10.1214/15-BA962 PG 27 WC Mathematics, Interdisciplinary Applications; Statistics & Probability SC Mathematics GA DG4UO UT WOS:000372068600010 ER PT J AU Han, K Goddard, R Niu, RM Li, TL Nguyen, DN Michel, JR Lu, J Pantsyrny, V AF Han, Ke Goddard, Robert Niu, Rongmei Li, Tianlei Nguyen, Doan N. Michel, James R. Lu, Jun Pantsyrny, Victor TI Bending Behavior of High-Strength Conductor SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Bending strain; coil winding; Cu-Nb; high strength conductor; plastic deformation ID NB MICROCOMPOSITE WIRES; COMPOSITE WIRES; CU; AG; MICROSTRUCTURE; EVOLUTION; MAGNET AB Conductors in pulsed magnets in the U.S. National High Magnetic Field Laboratory (MagLab) are rectangular cross section wires of relatively large thickness. During the manufacture of the magnets, some of these conductors are wound to small-diameter coils (less than 15 mm). Because of the large thickness and the small bending radii for winding, the wires undergo large bending strain, sometimes causing breakage. We studied the bending behavior of high-strength conductor wires. In most materials, maximum bending strain can usually be calculated from elongation values obtained in tensile tests. In this paper, however, the maximum bending strain exceeded the elongation of most of our high-strength wires; therefore, we could not estimate bending strain from elongation. The large bending strain that occurs during the manufacture of coils in pulsed magnets causes an increase in residual strain and a decrease in packing factor. Due to the anticlastic effect, the cross section of the wire changes from rectangular to keystone-shaped, with the keystone angle up to 10 degrees. This introduces gaps into the coils, thus reducing the magnetic field by an amount that must be taken into an account. In both tensile-and compressive-strained regions, we observed significant microstructure changes. Certain properties, such as tensile mechanical strength and electrical conductivity, depend directly on microstructure. This paper summarizes our work on both geometry and microstructure evolution in conductors exposed to different bending strain values. C1 [Han, Ke; Goddard, Robert; Niu, Rongmei; Lu, Jun] Natl High Magnet Field Lab, Tallahassee, FL 32309 USA. [Li, Tianlei] Danfoss Turbocor Compressors Inc, Tallahassee, FL 32310 USA. [Nguyen, Doan N.; Michel, James R.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Pantsyrny, Victor] Nanoelectro, Moscow 123098, Russia. RP Han, K (reprint author), Natl High Magnet Field Lab, Tallahassee, FL 32309 USA.; Li, TL (reprint author), Danfoss Turbocor Compressors Inc, Tallahassee, FL 32310 USA.; Nguyen, DN (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.; Pantsyrny, V (reprint author), Nanoelectro, Moscow 123098, Russia. EM han@magnet.fsu.edu; tianlei.li@danfoss.com; doan@lanl.gov; pantsyrny@gmail.com FU U.S. National Science Foundation [NSF DMR-1157490]; U.S. State of Florida; U.S. Department of Energy FX This work was supported in part by the U.S. National Science Foundation under Grant NSF DMR-1157490, by the U.S. State of Florida, and by the U.S. Department of Energy. NR 14 TC 0 Z9 0 U1 5 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 8400804 DI 10.1109/TASC.2016.2517412 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DH0ER UT WOS:000372455800001 ER PT J AU Pan, H Felice, H Cheng, DW Anderssen, E Ambrosio, G Perez, JC Juchno, M Ferracin, P Prestemon, SO AF Pan, H. Felice, H. Cheng, D. W. Anderssen, E. Ambrosio, G. Perez, J. C. Juchno, M. Ferracin, P. Prestemon, S. O. TI Assembly Tests of the First Nb3Sn Low-Beta Quadrupole Short Model for the Hi-Lumi LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-luminosity LHC (HL-LHC); interaction regions; LARP; Nb3Sn magnet; quadrupole; shell-based support structure; short model ID MAGNETS AB In preparation for the high-luminosity upgrade of the Large Hadron Collider (LHC), the LHC Accelerator Research Program (LARP) in collaboration with CERN is pursuing the development of MQXF: a 150-mm-aperture high-field Nb3Sn quadrupole magnet. The development phase starts with the fabrication and test of several short models (1.2-m magnetic length) and will continue with the development of several long prototypes. All of them are mechanically supported using a shell-based support structure, which has been extensively demonstrated on several R&D models within LARP. The first short model MQXFS-AT has been assembled at LBNL with coils fabricated by LARP and CERN. In this paper, we summarize the assembly process and show how it relies strongly on experience acquired during the LARP 120-mm-aperture HQ magnet series. We present comparison between strain gauges data and finite-element model analysis. Finally, we present the implication of the MQXFS-AT experience on the design of the long prototype support structure. C1 [Pan, H.; Cheng, D. W.; Anderssen, E.; Prestemon, S. O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Felice, H.] French Atom Energy Commiss, F-91400 Saclay, France. [Ambrosio, G.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Perez, J. C.; Juchno, M.; Ferracin, P.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP Pan, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM hengpan@lbl.gov FU Office of Science, U.S. Department of Energy [DE-AC02-05CH11231, DE-SC0000661] FX This work was supported by the Office of Science, U.S. Department of Energy, under contract DE-AC02-05CH11231 and under Cooperative Agreement DE-SC0000661. NR 13 TC 3 Z9 3 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4001705 DI 10.1109/TASC.2016.2516584 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DG4GQ UT WOS:000372030200001 ER PT J AU Seigneur, H Mohajeri, N Brooker, RP Davis, KO Schneller, EJ Dhere, NG Rodgers, MP Wohlgernuth, J Shiradkar, NS Scardera, G Rudack, AC Schoenfeld, WV AF Seigneur, Hubert Mohajeri, Nahid Brooker, R. Paul Davis, Kristopher O. Schneller, Eric J. Dhere, Neelkanth G. Rodgers, Marianne P. Wohlgernuth, John Shiradkar, Narendra S. Scardera, Giuseppe Rudack, Andrew C. Schoenfeld, Winston V. TI Manufacturing metrology for c-Si photovoltaic module reliability and durability, Part I: Feedstock, crystallization and wafering SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Siemens; Fluidized bed reactor; Czochralski; Directional solidification; Crystalline silicon; Wafer; Kerfless ID LIGHT-INDUCED DEGRADATION; SILICON SOLAR-CELLS; METALLURGICAL-GRADE SILICON; INDIUM-DOPED SILICON; MULTICRYSTALLINE SILICON; DIRECTIONAL SOLIDIFICATION; POLYCRYSTALLINE SILICON; VISUAL INSPECTION; HIGH-EFFICIENCY; CRACK DETECTION AB This article is the first in a three-part series of manufacturing metrology for c-Si photovoltaic (PV) module reliability and durability. Here in Part 1 we focus on the three primary process steps for making silicon substrates for PV cells: (1) feedstock production; (2) ingot and brick production; and (3) wafer production. Each of these steps can affect the final reliability/durability of PV modules in the field with manufacturing metrology potentially playing a significant role. This article provides a comprehensive overview of historical and current processes in each of these three steps, followed by a discussion of associated reliability challenges and metrology strategies that can be employed for increased reliability and durability in resultant modules. Gaps in the current state of understanding in connective metrology data during processing to reliability/durability in the field are then identified along with suggested improvements that should be considered by the PV community. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Seigneur, Hubert; Mohajeri, Nahid; Brooker, R. Paul; Davis, Kristopher O.; Schneller, Eric J.; Rodgers, Marianne P.; Rudack, Andrew C.; Schoenfeld, Winston V.] US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy,Suite 210, Orlando, FL 32826 USA. [Seigneur, Hubert; Mohajeri, Nahid; Brooker, R. Paul; Davis, Kristopher O.; Schneller, Eric J.; Dhere, Neelkanth G.; Rodgers, Marianne P.; Shiradkar, Narendra S.; Schoenfeld, Winston V.] Univ Cent Florida, Florida Solar Energy Ctr, 1679 Clearlake Rd, Cocoa, FL 32922 USA. [Davis, Kristopher O.; Schoenfeld, Winston V.] CREOL, Coll Opt & Photon, 4000 Cent Florida Blvd, Orlando, FL 32826 USA. [Wohlgernuth, John] Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. [Scardera, Giuseppe] DuPont Silicon Valley Technol Ctr, 965 East Argues Ave, Sunnyvale, CA 94085 USA. [Rudack, Andrew C.] SEMATECH, 257 Fuller Rd, Albany, NY 12203 USA. RP Seigneur, H (reprint author), US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy,Suite 210, Orlando, FL 32826 USA. EM Hubert.seigneur@uspvmc.org OI Brooker, Robert Paul/0000-0001-7492-0158; Davis, Kristopher/0000-0002-5772-6254 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program [DE-EE0004947] FX This material is based upon work supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program, under Award number DE-EE0004947. NR 192 TC 0 Z9 0 U1 8 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD JUN PY 2016 VL 59 BP 84 EP 106 DI 10.1016/j.rser.2015.12.343 PG 23 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG3CZ UT WOS:000371948400007 ER PT J AU Davis, KO Rodgers, MP Scardera, G Brooker, RP Seigneur, H Mohajeri, N Dhere, NG Wohlgemuth, J Schneller, E Shiradkar, N Rudack, AC Schoenfeld, WV AF Davis, Kristopher O. Rodgers, Marianne P. Scardera, Giuseppe Brooker, R. Paul Seigneur, Hubert Mohajeri, Nahid Dhere, Neelkanth G. Wohlgemuth, John Schneller, Eric Shiradkar, Narendra Rudack, Andrew C. Schoenfeld, Winston V. TI Manufacturing metrology for c-Si module reliability and durability Part II: Cell manufacturing SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Silicon solar cells; Photovoltaic module; Manufacturing; Reliability; Durability; Metrology ID SILICON SOLAR-CELLS; POTENTIAL-INDUCED DEGRADATION; TEMPERATURE SURFACE PASSIVATION; PHOSPHORUS EMITTER DIFFUSION; SCANNING-ELECTRON-MICROSCOPY; DOPED CRYSTALLINE SILICON; SPUTTERED ALUMINUM-OXIDE; LOCK-IN THERMOGRAPHY; LASER EDGE ISOLATION; MULTICRYSTALLINE SILICON AB This article is the second article in a three-part series dedicated to reviewing each process step in crystalline silicon (c-Si) photovoltaic (PV) module manufacturing process: feedstock and wafering, cell fabrication, and module manufacturing. The goal of these papers is to identify relevant metrology techniques that can be utilized to improve the quality and durability of the final product. The focus of this article is on the cell fabrication process. In this review, the fabrication of c-Si PV cells is divided into four steps: (1) wet chemical processes; (2) emitter formation; (3) anti-reflection coating (ARC) and passivation deposition; and (4) metallization. Each of these processing steps can impact the final reliability and durability of PV modules deployed in the field, and here the failure modes and degradation mechanisms induced during cell manufacturing are explored. Additionally, a literature review of relevant measurement techniques aimed at reducing or eliminating the probability of such failures occurring is presented along with an assessment of potential gaps wherein the PV community could benefit from new research and demonstration efforts. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Davis, Kristopher O.; Seigneur, Hubert; Schneller, Eric; Rudack, Andrew C.; Schoenfeld, Winston V.] US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy,Suite 210, Orlando, FL 32826 USA. [Davis, Kristopher O.; Rodgers, Marianne P.; Brooker, R. Paul; Seigneur, Hubert; Mohajeri, Nahid; Dhere, Neelkanth G.; Schneller, Eric; Shiradkar, Narendra; Schoenfeld, Winston V.] Univ Cent Florida, Florida Solar Energy Ctr, 1679 Clearlake Rd, Cocoa, FL 32922 USA. [Davis, Kristopher O.; Schoenfeld, Winston V.] CREOL, Coll Opt & Photon, 4000 Cent Florida Blvd, Orlando, FL 32826 USA. [Scardera, Giuseppe] DuPont Silicon Valley Technol Ctr, 965 East Argues Ave, Sunnyvale, CA 94085 USA. [Wohlgemuth, John] Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. [Rudack, Andrew C.] SEMATECH, 257 Fuller Rd, Albany, NY 12203 USA. RP Davis, KO (reprint author), US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy,Suite 210, Orlando, FL 32826 USA. EM Kris.Davis@uspvmc.org OI Brooker, Robert Paul/0000-0001-7492-0158; Davis, Kristopher/0000-0002-5772-6254 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program [DE-EE0004947] FX This material is based upon work supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program, under Award no. DE-EE0004947. NR 265 TC 1 Z9 1 U1 16 U2 40 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD JUN PY 2016 VL 59 BP 225 EP 252 DI 10.1016/j.rser.2015.12.217 PG 28 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG3CZ UT WOS:000371948400018 ER PT J AU Grageda, M Escudero, M Alavia, W Ushak, S Fthenakis, V AF Grageda, M. Escudero, M. Alavia, W. Ushak, S. Fthenakis, V. TI Review and multi-criteria assessment of solar energy projects in Chile SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Solar energy; PV; Solar heat plants; NCRE; Multicriteria analysis ID POWER-PLANTS AB Chile needs to increase its installed electric capacity to support economic growth. Currently, the total demand is 67,564 GW h and an additional 22,508 GW h will be needed by 2020 to meet the energy demand of industrial projects. The Chilean mining industry is a major electricity consumer in the country accounting for one third total consumption over today. Solar energy has the highest potential for growth in northern Chile as the north of the country hosts the highest solar resources of the world. In this paper we present a comprehensive review of the energy supply and demand status, planning and prospects in the country with focus on solar photovoltaic- and solar thermal-projects. As of the end of 2014, a solar capacity of 2384 MW are operational and under construction, and more than 10,000 MW of solar power plants have been proposed; most solar projects are located in northern regions where the mining takes place. Considering a conservative scenario where one half of the proposed solar projects would be operational before 2020, solar technology could cover a great part of the country's energy requirements. We evaluated eight operating PV plants and three operating solar thermoelectric plants based on a multi criteria assessment to offer a reference point for assessing future projects. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Grageda, M.; Escudero, M.; Alavia, W.; Ushak, S.] Univ Antofagasta, Dept Chem Engn & Minerals Proc, Campus Coloso,Ave Univ Antofagasta, Antofagasta 02800, Chile. [Grageda, M.; Escudero, M.; Alavia, W.; Ushak, S.] Univ Antofagasta, Ctr Adv Study Lithium & Ind Minerals CELiMIN, Campus Coloso,Ave Univ Antofagasta, Antofagasta 02800, Chile. [Grageda, M.; Ushak, S.] Univ Chile, Solar Energy Res Ctr SERC Chile, Av Tupper 2007,Piso 4, Santiago, Chile. [Fthenakis, V.] Columbia Univ, Ctr Life Cycle Anal, New York, NY 10027 USA. [Fthenakis, V.] Brookhaven Natl Lab, New York, NY 10027 USA. RP Grageda, M (reprint author), Univ Antofagasta, Dept Chem Engn & Minerals Proc, Campus Coloso,Ave Univ Antofagasta, Antofagasta 02800, Chile.; Grageda, M (reprint author), Univ Antofagasta, Ctr Adv Study Lithium & Ind Minerals CELiMIN, Campus Coloso,Ave Univ Antofagasta, Antofagasta 02800, Chile. EM mario.grageda@uantof.cl RI FONDAP, SERC Chile/A-9133-2016 FU Performance Unit Agreement for Higher Education [ANT1201]; CONICYT/FONDAP [15110019] FX The main authors received support from project ANT1201 through the Performance Unit Agreement for Higher Education and CONICYT/FONDAP No 15110019 SERC-Chile. NR 37 TC 3 Z9 3 U1 5 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD JUN PY 2016 VL 59 BP 583 EP 596 DI 10.1016/j.rser.2015.12.149 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG3CZ UT WOS:000371948400044 ER PT J AU Schneller, EJ Brooker, RP Shiradkar, NS Rodgers, MP Dhere, NG Davis, KO Seigneur, HP Mohajeri, N Wohlgemuth, J Scardera, G Rudack, AC Schoenfeld, WV AF Schneller, Eric J. Brooker, R. Paul Shiradkar, Narendra S. Rodgers, Marianne P. Dhere, Neelkanth G. Davis, Kristopher O. Seigneur, Hubert P. Mohajeri, Nahid Wohlgemuth, John Scardera, Giuseppe Rudack, Andrew C. Schoenfeld, Winston V. TI Manufacturing metrology for c-Si module reliability and durability Part III: Module manufacturing SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Silicon solar cells; Photovoltaic module reliability; Durability; Stringing and tabbing; Lamination; Encapsulation; Bypass diode ID ETHYLENE-VINYL ACETATE; EVA ENCAPSULANT MATERIAL; SILICON SOLAR-CELLS; ELECTRICALLY CONDUCTIVE ADHESIVES; PHOTOVOLTAIC-MODULE; PV MODULES; LONG-TERM; FAILURE MODES; THERMAL-STABILITY; SERIES-RESISTANCE AB This article is the third and final article in a series dedicated to reviewing each process step in crystalline silicon (c-Si) photovoltaic (PV) module manufacturing process: feedstock, crystallization and wafering, cell fabrication, and module manufacturing. The goal of these papers is to identify relevant metrology techniques that can be utilized to improve the quality and durability of the final product. The focus of this article is on the module manufacturing process. The c-Si PV module fabrication process can be divided into three primary areas; (1) stringing and tabbing, (2) lamination, and (3) integration of junction box and bypass diode(s). Each of these processing steps can impact the reliability and durability of PV modules in the field. The ultimate goal of this article is to identify appropriate metrology techniques and characterization methods that can be utilized within a module manufacturing facility to improve the reliability and durability of the final product. Additionally, a gap analysis is carried out to identify areas in need of further research and a discussion is provided that addresses new challenges for advanced materials and emerging technologies. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Schneller, Eric J.; Brooker, R. Paul; Davis, Kristopher O.; Seigneur, Hubert P.; Mohajeri, Nahid; Rudack, Andrew C.; Schoenfeld, Winston V.] US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy Suite 210, Orlando, FL 32826 USA. [Schneller, Eric J.; Brooker, R. Paul; Shiradkar, Narendra S.; Rodgers, Marianne P.; Dhere, Neelkanth G.; Davis, Kristopher O.; Seigneur, Hubert P.; Mohajeri, Nahid; Schoenfeld, Winston V.] Univ Cent Florida, Florida Solar Energy Ctr, 1679 Clearlake Rd, Cocoa, FL 32922 USA. [Davis, Kristopher O.; Schoenfeld, Winston V.] Coll Opt & Photon, CREOL, 4000 Cent Florida Blvd, Orlando, FL 32826 USA. [Wohlgemuth, John] Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. [Scardera, Giuseppe] DuPont Silicon Valley Technol Ctr, 965 East Argues Ave, Sunnyvale, CA 94085 USA. [Rudack, Andrew C.] SEMATECH, 257 Fuller Rd, Albany, NY 12203 USA. RP Schneller, EJ (reprint author), US Photovolta Mfg Consortium, C Si Div, 12354 Res Pkwy Suite 210, Orlando, FL 32826 USA. EM eschneller@fsec.ucf.edu OI Davis, Kristopher/0000-0002-5772-6254; Brooker, Robert Paul/0000-0001-7492-0158 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program [DE-EE0004947] FX This material is based upon work supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, in the Solar Energy Technologies Program, under Award Number DE-EE0004947. NR 208 TC 1 Z9 1 U1 9 U2 29 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD JUN PY 2016 VL 59 BP 992 EP 1016 DI 10.1016/j.rser.2015.12.215 PG 25 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DG3CZ UT WOS:000371948400071 ER PT J AU Krumina, L Kenney, JPL Loring, JS Persson, P AF Krumina, Lelde Kenney, Janice P. L. Loring, John S. Persson, Per TI Desorption mechanisms of phosphate from ferrihydrite and goethite surfaces SO CHEMICAL GEOLOGY LA English DT Article DE Phosphate; Ferrihydrite; Goethite; Infrared spectroscopy; MCR-ALS; Desorption; Electrostatic interactions ID MULTIVARIATE CURVE RESOLUTION; ATR-FTIR; WATER INTERFACE; RESIDENCE TIME; MCR-ALS; ADSORPTION; KINETICS; SORPTION; ARSENATE; MODEL AB The fate of phosphate in the environment is governed by reactions at particle surfaces. These adsorption and desorption reactions display biphasic kinetics involving an initial rapid reaction followed by a substantially slower one extending over long time periods. In this study we have investigated the molecular mechanisms of desorption kinetics of phosphate from ferrihydrite and goethite nanoparticles in the absence of competing ligands. Desorption was studied by means of in-situ infrared (IR) spectroscopy over a wide pH range and a time period of 24 h. The spectroscopic data sets were subjected to multivariate curve resolution alternating least squares (MCR-ALS), which enabled the resolution of surface species characterized by unique IR spectra together with their corresponding kinetic profiles. The desorption results showed the typical biphasic behavior and that increasing positive surface charge of ferrihydrite and goethite slowed down desorption of the negatively charged phosphate ions. Moreover, diprotonated phosphate desorbed faster than monoprotonated phosphate at a given pH. At circumneutral pH values desorption from ferrihydrite was substantially faster as compared to goethite, and this could be ascribed to electrostatic effects and differences in charging between ferrihydrite and goethite. The collective desorption results were explained by a model, consisting of a series monodentate phosphate surface complexes in different protonation states, in conjunction with a description that accounts for the electrostatic effects on desorption kinetics at charged mineral-water interfaces. The fast and slow desorption followed directly from this model and indicated that biphasic kinetics can be caused by a single phosphate surface complex as a result of decreasing surface coverage along with the lateral repulsive interactions between adsorbed phosphate groups. Hence, in contrast to previous models our study has shown that biphasic desorption kinetics do not have to involve several different structural complexes related to either weak and strong sites or a distribution of phosphate between external surfaces and mineral pores. (C) 2016 Elsevier B.V. All rights reserved. C1 [Krumina, Lelde; Persson, Per] Lund Univ, Ctr Environm & Climate Res, SE-22362 Lund, Sweden. [Krumina, Lelde; Persson, Per] Lund Univ, Dept Biol, SE-22362 Lund, Sweden. [Kenney, Janice P. L.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [Loring, John S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Persson, P (reprint author), Lund Univ, Dept Biol, Ctr Environm & Climate Res, Solvegatan 37, SE-22362 Lund, Sweden. OI Persson, Per/0000-0001-9172-3068 FU Swedish Research Council [621-2012-3890]; Knut & Alice Wallenberg Foundation; Crafoord Foundation; Faculty of Science, Lund University FX This manuscript was significantly improved by the helpful comments and suggestions provided by three anonymous reviewers and the editor. The Swedish Research Council (Grant no. 621-2012-3890), the Knut & Alice Wallenberg Foundation, the Crafoord Foundation, and the Faculty of Science, Lund University supported this work. A large part of the experimental work was conducted at the Vibrational Spectroscopy Core Facility, Umea University. The platform manager, Dr. Andras Gorzsas, is gratefully acknowledged for his generous support. NR 43 TC 1 Z9 1 U1 18 U2 55 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD JUN 1 PY 2016 VL 427 BP 54 EP 64 DI 10.1016/j.chemgeo.2016.02.016 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DG0OV UT WOS:000371765500005 ER PT J AU Bermudez, SI Ambrosio, G Ballarino, A Cavanna, E Bossert, R Cheng, D Dietderich, D Ferracin, P Ghosh, A Hagen, P Holik, E Perez, JC Rochepault, E Schmalzle, J Todesco, E Yu, M AF Bermudez, S. Izquierdo Ambrosio, G. Ballarino, A. Cavanna, E. Bossert, R. Cheng, D. Dietderich, D. Ferracin, P. Ghosh, A. Hagen, P. Holik, E. Perez, J. C. Rochepault, E. Schmalzle, J. Todesco, E. Yu, M. TI Second-Generation Coil Design of the Nb3Sn low-beta Quadrupole for the High Luminosity LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Coil end design; LHC upgrade; Nb3Sn Magnet; superconducting accelerator magnets ID SHIMS AB As part of the Large Hadron Collider (LHC) Luminosity upgrade program, the U.S.-LHC Accelerator Research Program collaboration and CERN are working together to design and build a 150-mm aperture Nb3Sn quadrupole for the LHC interaction regions. A first series of 1.5-m-long coils was fabricated and assembled in a first short model. A detailed visual inspection of the coils was carried out to investigate cable dimensional changes during heat treatment and the position of the windings in the coil straight section and in the end region. The analyses allow identifying a set of design changes which, combined with a fine tune of the cable geometry and a field quality optimization, were implemented in a new second-generation coil design. In this paper, we review the main characteristics of the first generation coils, describe the modification in coil layout and discuss their impact on parts design and magnet analysis. C1 [Bermudez, S. Izquierdo; Ballarino, A.; Ferracin, P.; Hagen, P.; Perez, J. C.; Rochepault, E.; Todesco, E.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.; Bossert, R.; Holik, E.; Yu, M.] FNAL, Batavia, IL 60510 USA. [Cavanna, E.] ASG Superconductors SpA, I-16152 Genoa, Italy. [Cheng, D.; Dietderich, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ghosh, A.; Schmalzle, J.] BNL, Upton, NY 11973 USA. RP Bermudez, SI (reprint author), CERN, CH-1211 Geneva, Switzerland. EM susana.izquierdo.bermudez@cern.ch FU EU [284404] FX This work was supported by the EU FP7 HiLumi LHC under Grant Agreement 284404. NR 17 TC 5 Z9 5 U1 3 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4001105 DI 10.1109/TASC.2016.2519002 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DE9FT UT WOS:000370942400001 ER PT J AU Gupta, R Anerella, M Ghosh, A Sampson, W Schmalzle, J Konikowska, D Semertzidis, YK Shin, Y AF Gupta, R. Anerella, M. Ghosh, A. Sampson, W. Schmalzle, J. Konikowska, D. Semertzidis, Y. K. Shin, Y. TI High-Field Solenoid Development for Axion Dark Matter Search at CAPP/IBS SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-field magnets; HTS; REBCO; solenoids AB Construction and test results of a 100-mm-bore solenoid made with the high-temperature superconductor (HTS) producing a peak field of over 10 T are presented. This is the first step toward building a very high field solenoid (35-40 T) one of the key components of the proposed state-of-the-art facility for dark matter search at the Center for Axion and Precision Physics Research, Institute for Basic Science in Korea. The coils made with HTS are expected to provide a field of similar to 25 T, and the coils made with low-temperature superconductors are expected to provide a field of 10-15 T. REBCO HTS tapes were provided by SuNAM along with the measurements at 20 K in 3.5- to 4-T applied field. The Brookhaven National Laboratory measured several samples at 4 K in the applied field of 4-8 T. This paper will present a series of test results of the conductor, six pancake coils, and the fully assembled solenoid. C1 [Gupta, R.; Anerella, M.; Ghosh, A.; Sampson, W.; Schmalzle, J.] Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. [Konikowska, D.; Semertzidis, Y. K.; Shin, Y.] Inst for Basic Sci Korea, Ctr Axion & Precis Phys Res, Taejon 305701, South Korea. RP Gupta, R (reprint author), Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA.; Semertzidis, YK (reprint author), Inst for Basic Sci Korea, Ctr Axion & Precis Phys Res, Taejon 305701, South Korea. EM gupta@bnl.gov; yannis@kaistac.kr FU IBS Korea [IBS-R017-D1-2015-a00]; Brookhaven Science Associates, LLC [DE-SC0012704, IBS 2014-B0063 (IBS-NF-14-09)]; U.S. Department of Energy; Institute for Basic Science (IBS), Korea FX This work was supported in part by IBS Korea (project system code: IBS-R017-D1-2015-a00) and in part by Brookhaven Science Associates, LLC under Contract DE-SC0012704, with the U.S. Department of Energy. This work was carried out under a research agreement between the Institute for Basic Science (IBS), Korea, and Brookhaven Science Associates, LLC under contract No. IBS 2014-B0063 (IBS-NF-14-09). NR 3 TC 2 Z9 2 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4100705 DI 10.1109/TASC.2016.2518240 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DE9GE UT WOS:000370943700001 ER PT J AU Nguyen, DN Michel, J Mielke, CH AF Nguyen, Doan N. Michel, James Mielke, Chuck H. TI Status and Development of Pulsed Magnets at the NHMFL Pulsed Field Facility SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Duplex magnet; pulsed field magnet; ultrahigh magnetic field ID LONG-PULSE; MECHANICAL-PROPERTIES; REINFORCEMENT; PERFORMANCE; TECHNOLOGY; TESLA AB The National High Magnetic Field Laboratory's Pulsed Field Facility at Los Alamos National Laboratory is one of few research centers in the world that can create and use ultrahigh pulsed magnetic field for scientific research. The facility houses several types of nondestructive pulsed magnets which can provide the peak fields ranging from 60 to 100 T for users. This paper will report the status of the user magnets and recent magnet developments to improve the quality and magnetic fields of our user magnets. In particular, this paper will present a new cooling technique that significantly reduces the cooling time without affecting the mechanical performance of the magnets. A possible upgrade of our facility with a new duplex magnet that is powered by a 4-MJ capacitor bank to deliver 80 T for users will be also reported. In addition, we will discuss some valuable lessons learned from magnet failures at our facility and possible further magnet design improvements to increase the magnet longevity or peak magnetic fields. C1 [Nguyen, Doan N.; Michel, James; Mielke, Chuck H.] Los Alamos Natl Lab, Pulsed Field Facil, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. RP Nguyen, DN; Michel, J; Mielke, CH (reprint author), Los Alamos Natl Lab, Pulsed Field Facil, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. EM doan@lanl.gov; jmichel@lanl.gov; cmielke@lanl.gov FU NSF [DMR-1157490]; DOE FX This work was undertaken at the Pulsed Field Facility (NHMFL), Los Alamos National Laboratory. The PFF is supported in part by the NSF under Grant: DMR-1157490 and by the DOE. NR 17 TC 0 Z9 0 U1 3 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4300905 DI 10.1109/TASC.2016.2515982 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DE9NX UT WOS:000370965800001 ER PT J AU Wang, ZJ Lee, M Choi, ES Poston, J Seehra, MS AF Wang, Zhengjun Lee, M. Choi, E. S. Poston, J. Seehra, M. S. TI Low temperature, high magnetic field investigations of the nature of magnetism in the molecular semiconductor beta- cobalt phthalocyanine (C32H16CoN8) SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Linear chain antiferromagnet; Exchange coupling; Magnetic susceptibility; Saturation magnetization; Magnetic molecular semiconductors ID ELECTRONIC-STRUCTURE; SUSCEPTIBILITY; CHAIN AB Results from detailed investigations of the magnetic properties of a powder sample of beta-CoPc for the temperatures T=0.4 K to 300 K and in magnetic fields H up to 90 kOe are reported. X-ray diffraction confirmed the beta-phase and scanning electron microscopy showed plate-like morphology of the sample. For T > 3 K, the data of magnetic susceptibility chi vs. T fit the Curie-Weiss (CW) law yielding 0 = -2.5 K,mu = 2.16 mu(B) per Co2+ and g=2.49 for spin S=1/2 of the low spin-state of Co2+ However for T < 3 K, they vs. T data deviates from the CW law yielding a peak in chi at T-max = 1.9 K. It is shown that they vs. T data from 0.4 K to 300 K fits well with the predictions of the Bonner-Fisher (BF) model for S=1/2 Heisenberg linear chain antiferromagnet with the Co2+-Co2+ exchange J/kB = 1.5 K (<(H)over cap> = 2J Sigma S-i center dot Si+1). The data of magnetization M vs. H at T=1 K agrees with the predictions of the BF model with J/k(B) = 1.5 K, yielding saturation magnetization M-s =12.16 emu/g above 60 kOe corresponding to complete alignment of the spins. (C) 2016 Elsevier B.V. All rights reserved. C1 [Wang, Zhengjun; Seehra, M. S.] W Virginia Univ, Dept Phys & Astron, Morgantown, WV 26506 USA. [Lee, M.; Choi, E. S.] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA. [Lee, M.; Choi, E. S.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Poston, J.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Seehra, MS (reprint author), W Virginia Univ, Dept Phys & Astron, Morgantown, WV 26506 USA. EM mseehra@wvu.edu RI Lee, Minseong/D-5371-2016 FU National Science Foundation [DMR-1157490]; State of Florida FX A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement No. DMR-1157490 and the State of Florida. NR 15 TC 3 Z9 3 U1 6 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JUN 1 PY 2016 VL 407 BP 83 EP 86 DI 10.1016/j.jmmm.2016.01.033 PG 4 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA DE7ZA UT WOS:000370854400014 ER PT J AU Bruillard, P Galindo, C Ng, SH Plavnik, JY Rowell, EC Wang, ZH AF Bruillard, Paul Galindo, Cesar Ng, Siu-Hung Plavnik, Julia Y. Rowell, Eric C. Wang, Zhenghan TI On the classification of weakly integral modular categories SO JOURNAL OF PURE AND APPLIED ALGEBRA LA English DT Article ID FUSION CATEGORIES; TENSOR CATEGORIES; HOPF-ALGEBRAS; INVARIANTS AB We classify all modular categories of dimension 4m, where m is an odd square-free integer, and all ranks 6 and 7 weakly integral modular categories. This completes the classification of weakly integral modular categories through rank 7. Our results imply that all integral modular categories of rank at most 7 are pointed (that is, every simple object has dimension 1). All strictly weakly integral (weakly integral but non-integral) modular categories of ranks 6 and 7 have dimension 4m, with m an odd square free integer, so their classification is an application of our main result. The classification of rank 7 integral modular categories is facilitated by an analysis of actions on modular categories by two groups: the Galois group of the field generated by the entries of the S-matrix and the group of isomorphism classes of invertible simple objects. The interplay of these two actions is of independent interest, and we derive some valuable arithmetic consequences from their actions. (C) 2015 Elsevier B.V. All rights reserved. C1 [Bruillard, Paul] Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. [Galindo, Cesar] Univ Los Andes, Dept Matemat, Bogota, Colombia. [Ng, Siu-Hung] Louisiana State Univ, Dept Math, Baton Rouge, LA 70803 USA. [Plavnik, Julia Y.; Rowell, Eric C.] Texas A&M Univ, Dept Math, College Stn, TX 77843 USA. [Wang, Zhenghan] Univ Calif Santa Barbara, Microsoft Res Stn Q, Santa Barbara, CA 93106 USA. [Wang, Zhenghan] Univ Calif Santa Barbara, Dept Math, Santa Barbara, CA 93106 USA. RP Rowell, EC (reprint author), Texas A&M Univ, Dept Math, College Stn, TX 77843 USA. EM pjb2357@gmail.com; cn.galindo1116@uniandes.edu.co; rng@math.lsu.edu; julia@math.tamu.edu; rowell@math.tamu.edu; zhenghwa@microsoft.com OI Rowell, Eric/0000-0002-2338-9819 FU FAPA from vicerrectoria de investigaciones de la Universidad de los Andes; NSF [DMS-1303253, DMS-1501179, DMS-1108725, DMS-1108736. PNNL-SA-110195]; CONICET; ANPCyT; Secyt-UNC; Universidad de Buenos Aires FX The results obtained in this paper were mostly obtained while all 6 authors were at the American Institute of Mathematics, participating in a SQuaRE. We would like to thank that institution for their hospitality and encouragement. C. Galindo was partially supported by the FAPA funds from vicerrectoria de investigaciones de la Universidad de los Andes, S.-H. Ng by NSF DMS-1303253 and DMS-1501179, J. Plavnik by CONICET, ANPCyT and Secyt-UNC, E. Rowell by NSF grant DMS-1108725, and Z. Wang by NSF grant DMS-1108736. PNNL-SA-110195. This project began while J.P. was at Universidad de Buenos Aires, and the support of that institution is gratefully acknowledged. NR 32 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-4049 EI 1873-1376 J9 J PURE APPL ALGEBRA JI J. Pure Appl. Algebr. PD JUN PY 2016 VL 220 IS 6 BP 2364 EP 2388 DI 10.1016/j.jpaa.2015.11.010 PG 25 WC Mathematics, Applied; Mathematics SC Mathematics GA DC8FG UT WOS:000369454700013 ER PT J AU Ferracin, P Ambrosio, G Anerella, M Ballarino, A Bajas, H Bajko, M Bordini, B Bossert, R Cheng, DW Dietderich, DR Chlachidze, G Cooley, L Felice, H Ghosh, A Hafalia, R Holik, E Bermudez, SI Fessia, P Grosclaude, P Guinchard, M Juchno, M Krave, S Lackner, F Marchevsky, M Marinozzi, V Nobrega, F Oberli, L Pan, H Perez, JC Prin, H Rysti, J Rochepault, E Sabbi, G Salmi, T Schmalzle, J Sorbi, M Tavares, SS Todesco, E Wanderer, P Wang, X Yu, M AF Ferracin, P. Ambrosio, G. Anerella, M. Ballarino, A. Bajas, H. Bajko, M. Bordini, B. Bossert, R. Cheng, D. W. Dietderich, D. R. Chlachidze, G. Cooley, L. Felice, H. Ghosh, A. Hafalia, R. Holik, E. Bermudez, S. Izquierdo Fessia, P. Grosclaude, P. Guinchard, M. Juchno, M. Krave, S. Lackner, F. Marchevsky, M. Marinozzi, V. Nobrega, F. Oberli, L. Pan, H. Perez, J. C. Prin, H. Rysti, J. Rochepault, E. Sabbi, G. Salmi, T. Schmalzle, J. Sorbi, M. Tavares, S. Sequeira Todesco, E. Wanderer, P. Wang, X. Yu, M. TI Development of MQXF: The Nb3Sn Low-beta Quadrupole for the HiLumi LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High Luminosity Large Hadron Collider (LHC); interaction regions; low-beta quadrupoles; Nb3Sn magnets AB The High Luminosity (HiLumi) Large Hadron Collider (LHC) project has, as themain objective, to increase the LHC peak luminosity by a factor five and the integrated luminosity by a factor ten. This goal will be achieved mainly with a new interaction region layout, which will allow a stronger focusing of the colliding beams. The target will be to reduce the beam size in the interaction points by a factor of two, which requires doubling the aperture of the low-beta (or inner triplet) quadrupole magnets. The use of Nb3Sn superconducting material and, as a result, the possibility of operating at magnetic field levels in the windings higher than 11 T will limit the increase in length of these quadrupoles, called MQXF, to acceptable levels. After the initial design phase, where the key parameters were chosen and the magnet's conceptual design finalized, the MQXF project, a joint effort between the U.S. LHC Accelerator Research Program and the Conseil Europeen pour la Recherche Nucleaire (CERN), has now entered the construction and test phase of the short models. Concurrently, the preparation for the development of the full-length prototypes has been initiated. This paper will provide an overview of the project status, describing and reporting on the performance of the superconducting material, the lessons learnt during the fabrication of superconducting coils and support structure, and the fine tuning of the magnet design in view of the start of the prototyping phase. C1 [Ferracin, P.; Ballarino, A.; Bajas, H.; Bajko, M.; Bordini, B.; Bermudez, S. Izquierdo; Fessia, P.; Grosclaude, P.; Guinchard, M.; Juchno, M.; Lackner, F.; Oberli, L.; Perez, J. C.; Prin, H.; Rysti, J.; Rochepault, E.; Tavares, S. Sequeira; Todesco, E.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.; Bossert, R.; Chlachidze, G.; Cooley, L.; Holik, E.; Krave, S.; Nobrega, F.; Yu, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Anerella, M.; Ghosh, A.; Schmalzle, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Cheng, D. W.; Dietderich, D. R.; Felice, H.; Hafalia, R.; Marchevsky, M.; Pan, H.; Sabbi, G.; Wang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Marinozzi, V.; Sorbi, M.] Ist Nazl Fis Nucl, LASA, I-20090 Segrate, Italy. [Salmi, T.] Tampere Univ Technol, Tampere 33720, Finland. RP Ferracin, P (reprint author), CERN, CH-1211 Geneva, Switzerland. EM paolo.ferracin@cern.ch FU EU FP7 High Luminosity (HiLumi) Large Hadron Collider (LHC) [284404]; DOE through the U.S. LHC Accelerator Research Program FX This work was supported in part by the EU FP7 High Luminosity (HiLumi) Large Hadron Collider (LHC) under Grant Agreement 284404 and by the DOE through the U.S. LHC Accelerator Research Program. NR 29 TC 10 Z9 10 U1 5 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4000207 DI 10.1109/TASC.2015.2510508 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC2WE UT WOS:000369078500001 ER PT J AU Luongo, C Ballard, J Biallas, G Elouadrhiri, L Fair, R Ghoshal, P Kashy, D Legg, R Pastor, O Rajput-Ghoshal, R Rode, C Wiseman, M Young, G Elementi, L Krave, S Makarov, A Nobrega, F Velev, G AF Luongo, Cesar Ballard, Joshua Biallas, George Elouadrhiri, Latifa Fair, Ruben Ghoshal, Probir Kashy, Dave Legg, Robert Pastor, Orlando Rajput-Ghoshal, Renuka Rode, Claus Wiseman, Mark Young, Glenn Elementi, Luciano Krave, Steven Makarov, Alexander Nobrega, Fred Velev, George TI The CLAS12 Torus Detector Magnet at Jefferson Laboratory SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE CLAS12 torus; conduction-cooling; detector magnets; superconducting magnets AB The CLAS12 Torus is a toroidal superconducting magnet, which is part of the detector for the 12-GeV accelerator upgrade at Jefferson Laboratory (JLab). The coils were wound/fabricated by Fermilab, with JLab responsible for all other parts of the project scope, including design, integration, cryostating the individual coils, installation, cryogenics, I&C, etc. This paper provides an overview of the CLAS12 Torus magnet features and serves as a status report of its installation in the experimental hall. Completion and commissioning of the magnet is expected in 2016. C1 [Luongo, Cesar; Ballard, Joshua; Biallas, George; Elouadrhiri, Latifa; Fair, Ruben; Ghoshal, Probir; Kashy, Dave; Legg, Robert; Pastor, Orlando; Rajput-Ghoshal, Renuka; Rode, Claus; Wiseman, Mark; Young, Glenn] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Elementi, Luciano; Krave, Steven; Makarov, Alexander; Nobrega, Fred; Velev, George] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Luongo, C (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM luongo@jlab.org FU Jefferson Science Associates, LLC, under U.S. DOE [DE-AC05-06OR23177] FX Authored by Jefferson Science Associates, LLC, under U.S. DOE Contract No. DE-AC05-06OR23177. The U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. (Corresponding author: Cesar Luongo.) NR 10 TC 1 Z9 1 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4500105 DI 10.1109/TASC.2015.2510336 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC2WO UT WOS:000369079600001 ER PT J AU Velev, GV Chlachidze, G DiMarco, J Stoynev, SE AF Velev, G. V. Chlachidze, G. DiMarco, J. Stoynev, S. E. TI Summary of the Persistent Current Effect Measurements in Nb3Sn and NbTi Accelerator Magnets at Fermilab SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; superconducting magnets ID MODEL; DECAY AB In the past ten years, Fermilab has been executing an intensive R&D program on accelerator magnets based on Nb3Sn superconductor technology. This R&D effort includes dipole and quadrupole models for different programs, such as LARP and 11 T dipoles for the LHC high-luminosity upgrade. Before the Nb3Sn R&D program, Fermilab was involved in the production of the low-beta quadrupole magnets for LHC based on the NbTi superconductor. Additionally, during the 2003-2005 campaign to optimize the operation of the Tevatron, a large number of Tevatron magnets were remeasured. As a result of this field analysis, a systematic study of the persistent current decay and snapback effect in the semagnets was performed. This paper summarizes the result of this study and presents a comparison between Nb3Sn and NbTi dipoles and quadrupoles. C1 [Velev, G. V.; Chlachidze, G.; DiMarco, J.; Stoynev, S. E.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Velev, GV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM velev@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported by the Fermi Research Alliance, LLC, under contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 17 TC 0 Z9 0 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4000605 DI 10.1109/TASC.2016.2515059 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC0UG UT WOS:000368932700001 ER PT J AU Verweij, A Auchmann, B Bednarek, M Bottura, L Charifoulline, Z Feher, S Hagen, P Modena, M Le Naour, S Romera, I Siemko, A Steckert, J Tock, JP Todesco, E Willering, G Wollmann, D AF Verweij, A. Auchmann, B. Bednarek, M. Bottura, L. Charifoulline, Z. Feher, S. Hagen, P. Modena, M. Le Naour, S. Romera, I. Siemko, A. Steckert, J. Tock, J. Ph Todesco, E. Willering, G. Wollmann, D. TI Retraining of the 1232 Main Dipole Magnets in the LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnet; quench protection; superconducting coil AB The Large Hadron Collider (LHC) contains eight main dipole circuits, each of them with 154 dipole magnets powered in series. These 15-m-long magnets are wound from Nb-Ti superconducting Rutherford cables, and have active quench detection triggering heaters to quickly force the transition of the coil to the normal conducting state in case of a quench, and hence reduce the hot spot temperature. During the reception tests in 2002-2007, all these magnets have been trained up to at least 12 kA, corresponding to a beam energy of 7.1 TeV. After installation in the accelerator, the circuits have been operated at reduced currents of up to 6.8 kA, from 2010 to 2013, corresponding to a beam energy of 4 TeV. After the first long shutdown of 2013-2014, the LHC runs at 6.5 TeV, requiring a dipole magnet current of 11.0 kA. A significant number of training quenches were needed to bring the 1232 magnets up to this current. In this paper, the circuit behavior in case of a quench is presented, as well as the quench training as compared to the initial training during the reception tests of the individual magnets. C1 [Verweij, A.; Auchmann, B.; Bednarek, M.; Bottura, L.; Charifoulline, Z.; Hagen, P.; Modena, M.; Le Naour, S.; Romera, I.; Siemko, A.; Steckert, J.; Tock, J. Ph; Todesco, E.; Willering, G.; Wollmann, D.] CERN, CH-1211 Geneva, Switzerland. [Feher, S.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Verweij, A (reprint author), CERN, CH-1211 Geneva, Switzerland. EM Arjan.Verweij@cern.ch NR 15 TC 2 Z9 2 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4000705 DI 10.1109/TASC.2016.2514598 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC0TW UT WOS:000368931700001 ER PT J AU Xie, DZ Benitez, JY Hodgkinson, A Loew, T Lyneis, CM Phair, L Pipersky, P Reynolds, B Todd, DS AF Xie, D. Z. Benitez, J. Y. Hodgkinson, A. Loew, T. Lyneis, C. M. Phair, L. Pipersky, P. Reynolds, B. Todd, D. S. TI Design of a New Superconducting Magnet System for High Strength Minimum-B Fields for ECRIS SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Superconducting magnets; special coils; Minimum-B fields; ECR ion source ID RESONANCE ION-SOURCE AB A novel Mixed Axial and Radial field System (MARS) seeks to enhance the B fields inside the plasma chamber within the limits of a given conductor, thereby making it possible to raise the operating fields for Electron Cyclotron Resonance Ion Sources (ECRISs). The MARS concept consists of a hexagonally shaped closed-loop coil and a set of auxiliary solenoids. The application of MARS will be combined with a hexagonal plasma chamber to maximize the use of the radial fields at the chamber inner surfaces. Calculations using Opera's TOSCA-3D solver have shown that MARS can potentially generate up to 50% higher fields and use of only about one half of the same superconducting wire, as compared with existing magnet designs in ECRISs. A MARS magnet system built with Nb3Sn coils could generate a high strength minimum-B field of maxima of >= 10 T on axis and similar to 6 T radially in an ECRIS plasma chamber. Following successful development, the MARS magnet system will be the best magnet scheme for the next generation of ECRISs. This paper will present the MARS concept, magnet design, prototyping a copper closed-loop coil, and discussions. C1 [Xie, D. Z.; Benitez, J. Y.; Hodgkinson, A.; Loew, T.; Lyneis, C. M.; Phair, L.; Pipersky, P.; Reynolds, B.; Todd, D. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Xie, DZ; Benitez, JY; Hodgkinson, A; Loew, T; Lyneis, CM; Phair, L; Pipersky, P; Reynolds, B; Todd, DS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM zqxie@lbl.gov; jybenitez@lbl.gov; ahodgkinson@lbl.gov; tjloew@lbl.gov; cmlyneis@lbl.gov; lwphair@lbl.gov; ppipersky@lbl.gov; BDReynolds@lbl.gov; dstodd@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 11 TC 0 Z9 0 U1 10 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2016 VL 26 IS 4 AR 4100205 DI 10.1109/TASC.2015.2511928 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC0RF UT WOS:000368924700001 ER PT J AU Toor, A Feng, T Russell, TP AF Toor, Anju Feng, Tao Russell, Thomas P. TI Self-assembly of nanomaterials at fluid interfaces SO EUROPEAN PHYSICAL JOURNAL E LA English DT Article ID NANOFILM PHOTODETECTORS; STRATEGY AB Recent developments in the field of the self-assembly of nanoscale materials such as nanoparticles, nanorods and nanosheets at liquid/liquid interfaces are reviewed. Self-assembly behavior of both biological and synthetic particles is discussed. For biological nanoparticles, the nanoparticle assembly at fluid interfaces provides a simple route for directing nanoparticles into 2D or 3D constructs with hierarchical ordering. The interfacial assembly of single-walled carbon nanotubes (SWCNTs) at liquid interfaces would play a key role in applications such as nanotube fractionation, flexible electronic thin-film fabrication and synthesis of porous SWCNT/polymer composites foams. Liquids can be structured by the jamming of nanoparticle surfactants at fluid interfaces. By controlling the interfacial packing of nanoparticle surfactants using external triggers, a new class of materials can be generated that combines the desirable characteristics of fluids such as rapid transport of energy carriers with the structural stability of a solid. C1 [Toor, Anju] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Feng, Tao; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Toor, Anju; Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.; Russell, TP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM russell@mail.pse.umass.edu FU Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231]; Seed Funding for a Program Seed entitled "Adaptive Interfacial Assemblies Towards Structuring Liquids" [KC020301] FX This work was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231 and support through Seed Funding for a Program Seed entitled "Adaptive Interfacial Assemblies Towards Structuring Liquids" Project Number KC020301. NR 26 TC 3 Z9 3 U1 28 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1292-8941 EI 1292-895X J9 EUR PHYS J E JI Eur. Phys. J. E PD MAY 31 PY 2016 VL 39 IS 5 AR 57 DI 10.1140/epje/i2016-16057-x PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA DU8OF UT WOS:000382472400001 PM 27233643 ER PT J AU Matsubara, M Bissell, MJ AF Matsubara, Masahiro Bissell, Mina J. TI Inhibitors of Rho kinase (ROCK) signaling revert the malignant phenotype of breast cancer cells in 3D context SO ONCOTARGET LA English DT Article DE ROCK; polarity; invasiveness; three-dimensional culture; breast cancer ID MAMMARY EPITHELIAL-CELLS; GROWTH-FACTOR RECEPTOR; PROTEIN-KINASE; HEPATOCELLULAR-CARCINOMA; SERINE/THREONINE KINASE; 3-DIMENSIONAL CULTURE; RHO/ROCK PATHWAY; TARGETING ROCK1; GENE-EXPRESSION; BLADDER-CANCER AB Loss of polarity and quiescence along with increased cellular invasiveness are associated with breast tumor progression. ROCK plays a central role in actin-cytoskeletal rearrangement. We used physiologically relevant 3D cultures of nonmalignant and cancer cells in gels made of laminin-rich extracellular matrix, to investigate ROCK function. Whereas expression levels of ROCK1 and ROCK2 were elevated in cancer cells compared to nonmalignant cells, this was not observed in 2D cultures. Malignant cells showed increased phosphorylation of MLC, corresponding to disorganized F-actin. Inhibition of ROCK signaling restored polarity, decreased disorganization of F-actin, and led to reduction of proliferation. Inhibition of ROCK also decreased EGFR and Integrin beta 1 levels, and consequently suppressed activation of Akt, MAPK and FAK as well as GLUT3 and LDHA levels. Again, ROCK inhibition did not inhibit these molecules in 2D. A triple negative breast cancer cell line, which lacks E-cadherin, had high levels of ROCK but was less sensitive to ROCK inhibitors. Exogenous overexpression of E-cadherin, however, rendered these cells strikingly sensitive to ROCK inhibition. Our results add to the growing literature that demonstrate the importance of context and tissue architecture in determining not only regulation of normal and malignant phenotypes but also drug response. C1 [Matsubara, Masahiro; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Matsubara, Masahiro] Kyowa Hakko Kirin Co Ltd, Oncol Res Labs, Tokyo, Japan. RP Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM MJBissell@lbl.gov FU Kyowa Hakko Kirin Co., Ltd.; NIH National Cancer Institute [R37CA064786, U01CA168538]; U.S. Department of Defense Innovator Award [W81XWH0810736]; Breast Cancer Research Foundation FX We are grateful to Joni Mott, Irene Kuhn and Ramray Bhat for critical reading of this manuscript; SunYoung Lee for valuable technical advice; Jamie Inman, Saori Furuta for providing cell lines and plasmids; Saori Furuta, Hidetoshi Mori (University of California, Davis) for helpful discussions. M.M. was supported by a fellowship from Kyowa Hakko Kirin Co., Ltd. The work from M. J. Bissell's laboratory is supported by grants from the NIH National Cancer Institute awards R37CA064786, U01CA168538; by a U.S. Department of Defense Innovator Award (W81XWH0810736); and in part by a grant from The Breast Cancer Research Foundation. NR 67 TC 2 Z9 2 U1 4 U2 6 PU IMPACT JOURNALS LLC PI ALBANY PA 6211 TIPTON HOUSE, STE 6, ALBANY, NY 12203 USA SN 1949-2553 J9 ONCOTARGET JI Oncotarget PD MAY 31 PY 2016 VL 7 IS 22 BP 31602 EP 31622 DI 10.18632/oncotarget.9395 PG 21 WC Oncology; Cell Biology SC Oncology; Cell Biology GA DO4JP UT WOS:000377748500001 PM 27203208 ER PT J AU Adam, J Adamovaa, D Aggarwal, MM Rinella, GA Agnello, M Agrawal, N Ahammed, Z Ahn, SU Aimo, I Aiola, S Ajaz, M Akindinov, A Alam, SN Aleksandrov, D Alessandro, B Alexandre, D Molina, RA Alici, A Alkin, A Almaraz, JRM Alme, J Alt, T Altinpinar, S Altsybeev, I Prado, CAG Andrei, C Andronic, A Anguelov, V Anielski, J Anticic, T Antinori, F Antonioli, P Aphecetche, L Appelshauser, H Arcelli, S Armesto, N Arnaldi, R Arsene, IC Arslandok, M Audurier, B Augustinus, A Averbeck, R Azmi, MD Bach, M Badala, A Baek, YW Bagnasco, S Bailhache, R Bala, R Baldisseri, A Pedrosa, FBD Baral, RC Barbano, AM Barbera, R Barile, F Barnafoldi, GG Barnby, LS Barret, V Bartalini, P Barth, K Bartke, J Bartsch, E Basile, M Bastid, N Basu, S Bathen, B Batigne, G Camejo, AB Batyunya, B Batzing, PC Bearden, IG Beck, H Bedda, C Behera, NK Belikov, I Bellini, F Martinez, HB Bellwied, R Belmont, R Belmont-Moreno, E Belyaev, V Bencedi, G Beole, S Berceanu, I Bercuci, A Berdnikov, Y Berenyi, D Bertens, RA Berzano, D Betev, L Bhasin, A Bhat, IR Bhati, AK Bhattacharjee, B Bhom, J Bianchi, L Bianchi, N Bianchin, C Bielcik, J Bielcikova, J Bilandzic, A Biswas, R Biswas, S Bjelogrlic, S Blair, JT Blanco, F Blau, D Blume, C Bock, F Bogdanov, A Boggild, H Boldizsar, L Bombara, M Book, J Borel, H Borissov, A Borri, M Bossu, F Botta, E Bottger, S Braun-Munzinger, P Bregant, M Breitner, T Broker, TA Browning, TA Broz, M Brucken, EJ Bruna, E Bruno, GE Budnikov, D Buesching, H Bufalino, S Buncic, P Busch, O Buthelezi, Z Butt, JB Buxton, JT Caffarri, D Cai, X Caines, H Diaz, LC Caliva, A Villar, EC Camerini, P Carena, F Carena, W Carnesecchi, F Castellanos, JC Castro, AJ Casula, EAR Cavicchioli, C Sanchez, CC Cepila, J Cerello, P Cerkala, J Chang, B Chapeland, S Chartier, M Charvet, JL Chattopadhyay, S Chattopadhyay, S Chelnokov, V Cherney, M Cheshkov, C Cheynis, B Barroso, VC Chinellato, DD Chochula, P Choi, K Chojnacki, M Choudhury, S Christakoglou, P Christensen, CH Christiansen, P Chujo, T Chung, SU Chunhui, Z Cicalo, C Cifarelli, L Cindolo, F Cleymans, J Colamaria, F Colella, D Collu, A Colocci, M Balbastre, GC Del Valle, ZC Connors, ME Contreras, JG Cormier, TM Morales, YC Maldonado, IC Cortese, P Cosentino, MR Costa, F Crochet, P Albino, RC Cuautle, E Cunqueiro, L Dahms, T Dainese, A Danu, A Das, D Das, I Das, S Dash, A Dash, S De, S De Caro, A de Cataldo, G de Cuveland, J De Falco, A De Gruttola, D De Marco, N De Pasquale, S Deisting, A Deloff, A De Nes, E D'Erasmo, G Di Bari, D Di Mauro, A Di Nezza, P Corchero, MAD Dietel, T Dillenseger, P Divia, R Djuvsland, O Dobrin, A Dobrowolski, T Gimenez, DD Donigus, B Dordic, O Drozhzhova, T Dubey, AK Dubla, A Ducroux, L Dupieux, P Ehlers, RJ Elia, D Engel, H Erazmus, B Erdemir, I Erhardt, F Eschweiler, D Espagnon, B Estienne, M Esumi, S Eum, J Evans, D Evdokimov, S Eyyubova, G Fabbietti, L Fabris, D Faivre, J Fantoni, A Fasel, M Feldkamp, L Felea, D Feliciello, A Feofilov, G Ferencei, J Tellez, AF Ferreiro, EG Ferretti, A Festanti, A Feuillard, VJG Figiel, J Figueredo, MAS Filchagin, S Finogeev, D Fiore, EM Fleck, MG Floris, M Foertsch, S Foka, P Fokin, S Fragiacomo, E Francescon, A Frankenfeld, U Fuchs, U Furget, C Furs, A Girard, MF Gaardhoje, JJ Gagliardi, M Gago, AM Gallio, M Gangadharan, DR Ganoti, P Gao, C Garabatos, C Garcia-Solis, E Gargiulo, C Gasik, P Germain, M Gheata, A Gheata, M Ghosh, P Ghosh, SK Gianotti, P Giubellino, P Giubilato, P Gladysz-Dziadus, E Assel, PG Coral, DMG Ramirez, AG Gonzalez-Zamora, P Gorbunov, S Gorlich, L Gotovac, S Grabski, V Graczykowski, LK Graham, KL Grelli, A Grigoras, A Grigoras, C Grigoriev, V Grigoryan, A Grigoryan, S Grinyov, B Grion, N Grosse-Oetringhaus, JF Grossiord, JY Grosso, R Guber, F Guernane, R Guerzoni, B Gulbrandsen, K Gulkanyan, H Gunji, T Gupta, A Gupta, R Haake, R Haaland, O Hadjidakis, C Haiduc, M Hamagaki, H Hamar, G Hansen, A Harris, JW Hartmann, H Harton, A Hatzifotiadou, D Hayashi, S Heckel, ST Heide, M Helstrup, H Herghelegiu, A Corral, GH Hess, BA Hetland, KF Hilden, TE Hillemanns, H Hippolyte, B Hosokawa, R Hristov, P Huang, M Humanic, TJ Hussain, N Hussain, T Hutter, D Hwang, DS Ilkaev, R Ilkiv, I Inaba, M Ippolitov, M Irfan, M Ivanov, M Ivanov, V Izucheev, V Jacobs, PM Jadlovska, S Jahnke, C Jang, HJ Janik, MA Jayarathna, PHSY Jena, C Jena, S Bustamante, RTJ Jones, PG Jung, H Jusko, A Kalinak, P Kalweit, A Kamin, J Kang, JH Kaplin, V Kar, S Uysal, AK Karavichev, O Karavicheva, T Karayan, L Karpechev, E Kebschull, U Keidel, R Keijdener, DLD Keil, M Khan, KH Khan, MM Khan, P Khan, SA Khanzadeev, A Kharlov, Y Kileng, B Kim, B Kim, DW Kim, DJ Kim, H Kim, JS Kim, M Kim, M Kim, S Kim, T Kirsch, S 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CA ALICE Collaboration TI Differential studies of inclusive J/psi and psi (2S) production at forward rapidity in Pb-Pb collisions at root s(NN)=2:76 TeVe SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Heavy Ion Experiments; Quark gluon plasma ID QUARK-GLUON PLASMA; TRANSVERSE-MOMENTUM; PP COLLISIONS; SUPPRESSION; DISTRIBUTIONS; MATTER; LHC; DIMUONS AB The production of J/psi and psi (2S) was studied with the ALICE detector in Pb-Pb collisions at the LHC. The measurement was performed at forward rapidity (2.5 < y < 4) down to zero transverse momentum (p(T)) in the dimuon decay channel. Inclusive J/psi yields were extracted in different centrality classes and the centrality dependence of the average p(T) is presented. The J/psi suppression, quantified with the nuclear modification factor (R-AA), was measured as a function of centrality, transverse momentum and rapidity. Comparisons with similar measurements at lower collision energy and theoretical models indicate that the J/psi production is the result of an interplay between color screening and recombination mechanisms in a deconfined partonic medium, or at its hadronization. Results on the psi(2S) suppression are provided via the ratio of psi(2S) over J/psi measured in pp and Pb-Pb collisions. C1 [Malinina, L.; Takaki, J. D. Tapia] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl, Phys, Moscow, Russia. [Takaki, J. D. Tapia] Univ Kansas, Lawrence, KS 66045 USA. [Grigoryan, A.; Gulkanyan, H.; Papikyan, V.] AI Alikhanyan Natl Sci Lab Yerevan Phys Inst Fdn, Yerevan, Armenia. [Martinez, H. Bello; Maldonado, I. Cortes; Tellez, A. Fernandez; Noris, J. C. C.; Cahuantzi, M. Rodriguez; Munoz, G. Tejeda; Vargas, A.; Limon, S. Vergara] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Alkin, A.; Chelnokov, V.; Grinyov, B.; Martynov, Y.; Shadura, O.; Trubnikov, V.; Yurchenko, V.; Zinovjev, G.] Bogolyubov Inst Theoret Phys, Kiev, Ukraine. [Biswas, R.; Das, S.; Ghosh, S. K.; Prasad, S. K.; Raha, S.] Bose Inst, Dept Phys, Kolkata, India. [Biswas, R.; Das, S.; Ghosh, S. K.; Prasad, S. K.; Raha, S.] CAPSS, Kolkata, India. [Pestov, Y.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Klay, J. L.] Calif Polytech State Univ San Luis Obispo, San Luis Obispo, CA 93407 USA. [Bartalini, P.; Cai, X.; Gao, C.; Li, S.; Ren, X.; Song, Z.; Wang, M.; Yang, P.; Yin, Z.; Zhang, H.; Zhang, Y.; Zhou, D.; Zhu, H.; Zhu, J.; Zhu, X.] Cent China Normal Univ, Wuhan, Peoples R China. [Vernet, R.] IN2P3, Ctr Calcul, Villeurbanne, France. [Sanchez, C. Ceballos; Shtejer, K.] CEADEN, Havana, Cuba. [Blanco, F.; Corchero, M. A. Diaz; Gonzalez-Zamora, P.; Montes, E.; Montero, A. J. Rubio; Serradilla, E.] CIEMAT, E-28040 Madrid, Spain. [Contreras, J. G.; Albino, R. Cruz; Corral, G. Herrera; Zetina, L. Montano] CINVESTAV, Mexico City 14000, DF, Mexico. [Contreras, J. G.; Albino, R. Cruz; Corral, G. Herrera; Zetina, L. Montano] CINVESTAV, Merida, Mexico. [Alici, A.; Cifarelli, L.; De Caro, A.; De Gruttola, D.; Noferini, F.; Revol, J. -P.; Zichichi, A.] Museo Stor Fis, Ctr Fermi, Rome, Italy. [Alici, A.; Cifarelli, L.; De Caro, A.; De Gruttola, D.; Noferini, F.; Revol, J. -P.; Zichichi, A.] Ctr Studi & Ric Enrico Fermi, Rome, Italy. [Garcia-Solis, E.; Harton, A.] Chicago State Univ, Chicago, IL USA. [Li, X.] China Inst Atom Energy, Beijing, Peoples R China. [Baldisseri, A.; Borel, H.; Castellanos, J. Castillo; Charvet, J. L.; Feuillard, V. J. G.; Lardeux, A.; Da Costa, H. Pereira; Rakotozafindrabe, A.] Commissariat Energie Atom, IRFU, Saclay, France. [Ajaz, M.; Butt, J. B.; Khan, K. H.; Naru, M. U.; Suleymanov, M.; Zaman, A.] CIIT Ctr Hlth Res, Islamabad, Pakistan. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, Dept Fis Particulas, Santiago De Compostela, Spain. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, IGFAE, Santiago De Compostela, Spain. [Altinpinar, S.; Djuvsland, O.; Haaland, O.; Huang, M.; Loenne, P. I.; Nystrand, J.; Rehman, A.; Rohrich, D.; Tambave, G. J.; Ullaland, K.; Velure, A.; Wagner, B.; Zhang, H.; Zhou, Z.; Zhu, H.] Univ Bergen, Dept Phys & Technol, Bergen, Norway. [Azmi, M. D.; Hussain, T.; Irfan, M.; Khan, M. M.; Tariq, M.] Aligarh Muslim Univ, Dept Phys, Aligarh 202002, Uttar Pradesh, India. [Buxton, J. T.; Humanic, T. J.; Kubera, A. M.; Salzwedel, J.; Steinpreis, M.] Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. [Hwang, D. S.; Kim, S.] Sejong Univ, Dept Phys, Seoul, South Korea. [Arsene, I. C.; Batzing, P. C.; Dordic, O.; Lindal, S.; Milosevic, J.; Qvigstad, H.; Richter, M.; Roed, K.; Skaali, T. B.; Tveter, T. S.; Wikne, J.; Zhao, C.] Univ Oslo, Dept Phys, Oslo, Norway. [Minervini, L. M.] Politecn Bari, Dipartimento Elettrotecn & Elettron, Bari, Italy. [Meddi, F.] Univ Roma La Sapienza, Dipartimento Fis, Rome, Italy. [Meddi, F.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Casula, E. A. R.; Collu, A.; De Falco, A.; Puddu, G.; Terrevoli, C.; Usai, G. L.] Univ Cagliari, Dipartimento Fis, Cagliari, Italy. [Casula, E. A. R.; Collu, A.; De Falco, A.; Puddu, G.; Terrevoli, C.; Usai, G. L.] Sezione Ist Nazl Fis Nucl, Cagliari, Italy. [Camerini, P.; Lea, R.; Luparello, G.; Margagliotti, G. V.; Rui, R.] Univ Trieste, Dipartimento Fis, Trieste, Italy. [Camerini, P.; Lea, R.; Luparello, G.; Margagliotti, G. V.; Rui, R.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Beole, S.; Berzano, D.; Botta, E.; Bufalino, S.; Morales, Y. Corrales; Ferretti, A.; Gagliardi, M.; Gallio, M.; Lattuca, A.; Leoncino, M.; Marchisone, M.; Masera, M.; Russo, R.; Shtejer, K.; Vallero, S.; Vercellin, E.] Univ Turin, Dipartimento Fis, Turin, Italy. [Beole, S.; Berzano, D.; Botta, E.; Bufalino, S.; Morales, Y. Corrales; Ferretti, A.; Gagliardi, M.; Gallio, M.; Lattuca, A.; Leoncino, M.; Marchisone, M.; Masera, M.; Russo, R.; Shtejer, K.; Vallero, S.; Vercellin, E.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Arcelli, S.; Basile, M.; Bellini, F.; Carnesecchi, F.; Cifarelli, L.; Colocci, M.; Guerzoni, B.; Scioli, G.; Zichichi, A.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy. [Arcelli, S.; Basile, M.; Bellini, F.; Carnesecchi, F.; Cifarelli, L.; Colocci, M.; Guerzoni, B.; Scioli, G.; Zichichi, A.] Sezione Ist Nazl Fis Nucl, Bologna, Italy. [Barbera, R.; La Rocca, P.; Petta, C.; Riggi, F.] Univ Catania, Dipartimento Fis & Astron, Catania, Italy. [Barbera, R.; La Rocca, P.; Petta, C.; Riggi, F.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Festanti, A.; Francescon, A.; Giubilato, P.; Jena, C.; Lunardon, M.; Morando, M.; Moretto, S.; Rossi, A.; Scarlassara, F.; Soramel, F.; Terrevoli, C.; Viesti, G.] Univ Padua, Dipartimento Fis & Astron, Padua, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Meninno, E.; Pagano, P.; Virgili, T.] Univ Salerno, Dipartimento Fis ER Caianiello, I-84100 Salerno, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Meninno, E.; Pagano, P.; Virgili, T.] Grp Collegato INFN, Salerno, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Univ Piemonte Orientale, Dipartimento Sci & Innovaz Tecnol, Alessandria, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Grp Collegato INFN, Alessandria, Italy. [Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; D'Erasmo, G.; Di Bari, D.; Fiore, E. M.; Mastroserio, A.; Tangaro, M. A.] Dipartimento Interateneo Fis M Merlin, Bari, Italy. [Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; D'Erasmo, G.; Di Bari, D.; Fiore, E. M.; Mastroserio, A.; Tangaro, M. A.] Sezione Ist Nazl Fis Nucl, Bari, Italy. [Christiansen, P.; Ljunggren, H. M.; Oskarsson, A.; Richert, T.; Silvermyr, D.; Sogaard, C.; Stenlund, E.; Vislavicius, V.] Lund Univ, Div Expt High Energy Phys, Lund, Sweden. [Hess, B. A.; Schmidt, H. R.; Wiechula, J.] Univ Tubingen, Tubingen, Germany. [Rinella, G. Aglieri; Augustinus, A.; Pedrosa, F. Baltasar Dos Santos; Barth, K.; Berzano, D.; Betev, L.; Buncic, P.; Caffarri, D.; Carena, F.; Carena, W.; Cavicchioli, C.; Chapeland, S.; Barroso, V. Chibante; Chochula, P.; Colella, D.; Costa, F.; Cunqueiro, L.; Di Mauro, A.; Divia, R.; Erazmus, B.; Floris, M.; Francescon, A.; Fuchs, U.; Gargiulo, C.; Gheata, A.; Gheata, M.; Giubellino, P.; Grigoras, A.; Grigoras, C.; Grosse-Oetringhaus, J. F.; Grosso, R.; Hillemanns, H.; Hristov, P.; Kalweit, A.; Keil, M.; Klein, J.; Kluge, A.; Kofarago, M.; Kouzinopoulos, C.; Kryshen, E.; Kugathasan, T.; Lakomov, I.; Laudi, E.; Legrand, I.; Mager, M.; Martinengo, P.; Pedreira, M. Martinez; Milano, L.; Morsch, A.; Musa, L.; Niculescu, M.; Niedziela, J.; Ohlson, A.; Pinazza, O.; Preghenella, R.; Reidt, F.; Riedler, P.; Riegler, W.; Rossi, A.; Safarik, K.; Schukraft, J.; Schutz, Y.; Shahoyan, R.; Sielewicz, K. M.; Simonetti, G.; Szczepankiewicz, A.; Tauro, A.; Telesca, A.; Van Hoorne, J. W.; Vande Vyvre, P.; Verweij, M.; Volpe, G.; von Haller, B.; Vranic, D.; Weber, M.; Zimmermann, M. B.] European Org Nucl Res CERN, Geneva, Switzerland. [Dahms, T.; Fabbietti, L.; Gasik, P.; Vorobyev, I.] Tech Univ Munich, Excellence Cluster Universe, D-80290 Munich, Germany. [Alme, J.; Ganoti, P.; Helstrup, H.; Hetland, K. F.; Kileng, B.] Bergen Univ Coll, Fac Engn, Bergen, Norway. [Meres, M.; Pikna, M.; Sitar, B.; Strmen, P.; Szabo, A.; Szarka, I.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Adam, J.; Bielcik, J.; Broz, M.; Cepila, J.; Contreras, J. G.; Eyyubova, G.; Krelina, M.; Petracek, V.; Schulc, M.; Spacek, M.] Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-16635 Prague, Czech Republic. [Bombara, M.; Kravcakova, A.; Vrlakova, J.] Safarik Univ, Fac Sci, Kosice, Slovakia. [Langoy, R.; Lien, J.] Buskerud & Vestfold Univ Coll, Fac Technol, Vestfold, Norway. [Alt, T.; Bach, M.; de Cuveland, J.; Eschweiler, D.; Gorbunov, S.; Hartmann, H.; Hutter, D.; Kirsch, S.; Kisel, I.; Kollegger, T.; Kretz, M.; Krzewicki, M.; Lindenstruth, V.; Rettig, F.; Rohr, D.; Zyzak, M.] Goethe Univ Frankfurt, Frankfurt Inst Adv Studies, D-60054 Frankfurt, Germany. [Baek, Y. W.; Jung, H.; Kim, D. W.; Kim, J. S.; Kim, M.] Gangneung Wonju Natl Univ, Kangnung, South Korea. [Bhattacharjee, B.; Hussain, N.] Gauhati Univ, Dept Phys, Gauhati, India. [Brucken, E. J.; Hilden, T. E.; Mieskolainen, M. M.; Orava, R.; Rasanen, S. S.] Helsinki Inst Phys, Helsinki, Finland. [Okubo, T.; Sekihata, D.; Shigaki, K.; Sugitate, T.; Yano, S.] Hiroshima Univ, Hiroshima, Japan. [Agrawal, N.; Behera, N. K.; Dash, S.; Meethaleveedu, G. Koyithatta; Kumar, J.; Nandi, B. K.; Pandey, A. K.; Pant, D.; Varma, R.] Indian Inst Technol Bombay IIT, Mumbai, Maharashtra, India. [Behera, N. K.; Mishra, A. N.; Pareek, P.; Roy, A.; Sahoo, P.; Sahoo, R.] IITI, Indore, Madhya Pradesh, India. [Kweon, M. J.] Inha Univ, Inchon, South Korea. [Del Valle, Z. Conesa; Das, I.; Espagnon, B.; Hadjidakis, C.; Suire, C.; Takaki, J. D. Tapia; Tarhini, M.] Univ Paris 11, IPNO, CNRS IN2P3, Orsay, France. [Bottger, S.; Breitner, T.; Engel, H.; Ramirez, A. Gomez; Kebschull, U.; Lara, C.] Goethe Univ Frankfurt, Inst Informat, D-60054 Frankfurt, Germany. [Appelshauser, H.; Arslandok, M.; Bailhache, R.; Bartsch, E.; Beck, H.; Blume, C.; Book, J.; Broker, T. A.; Buesching, H.; Dillenseger, P.; Donigus, B.; Drozhzhova, T.; Erdemir, I.; Heckel, S. T.; Kamin, J.; Klein, C.; Luettig, P.; Marquard, M.; Ozdemir, M.; Lezama, E. Perez; Peskov, V.; Rascanu, B. T.; Reichelt, P.; Renfordt, R.; Sahlmuller, B.; Schuchmann, S.; Peloni, A. Tarantola; Toia, A.] Goethe Univ Frankfurt, Inst Kernphys, Frankfurt, Germany. [Belikov, I.; Hippolyte, B.; Kuhn, C.; Maire, A.; Molnar, L.; Rami, F.; Roy, C.; Castro, X. Sanchez] Univ Strasbourg, CNRS IN2P3, IPHC, Strasbourg, France. [Finogeev, D.; Furs, A.; Guber, F.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Konevskikh, A.; Kurepin, A.; Kurepin, A. B.; Maevskaya, A.; Pshenichnov, I.; Reshetin, A.; Shabanov, A.] Acad Sci, Inst Nucl Res, Moscow, Russia. [Bertens, R. A.; Bianchin, C.; Bjelogrlic, S.; Caliva, A.; Chunhui, Z.; Dobrin, A.; Dubla, A.; Grelli, A.; Keijdener, D. L. D.; Leogrande, E.; Lodato, D. F.; Margutti, J.; Mischke, A.; Mohammadi, N.; Nooren, G.; Peitzmann, T.; Rocco, E.; Snellings, R. J. M.; Van der Maarel, J.; van Leeuwen, M.; Veen, A. M.; Veldhoen, M.; Wang, H.; Yang, H.; Zhou, Y.] Univ Utrecht, Inst Subatom Phys, Utrecht, Netherlands. [Akindinov, A.; Kiselev, S.; Mal'Kevich, D.; Mikhaylov, K.; Nedosekin, A.; Sultanov, R.; Voloshin, K.; Zhigareva, N.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Colella, D.; Kalinak, P.; Kralik, I.; Krivda, M.; Musinsky, J.; Sandor, L.; Vala, M.] Slovak Acad Sci, Inst Expt Phys, Kosice 04353, Slovakia. [Mares, J.; Zavada, P.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Baral, R. C.; Sahoo, S.; Sahu, P. K.; Sharma, N.] Inst Phys, Bhubaneswar 751007, Orissa, India. [Danu, A.; Felea, D.; Gheata, M.; Haiduc, M.; Mitu, C. M.; Niculescu, M.; Ristea, C.; Sevcenco, A.; Stan, I.; Zgura, I. S.] Inst Space Sci, Bucharest, Romania. [Cuautle, E.; Cervantes, I. Maldonado; Manzari, V.; Nellen, L.; Velasquez, A. Ortiz; Paic, G.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico. [Molina, R. Alfaro; Belmont-Moreno, E.; Coral, D. M. Gomez; Grabski, V.; Menchaca-Rocha, A.; Sandoval, A.; Serradilla, E.] Univ Nacl Autonoma Mexico, Inst Fis, Mexico City 04510, DF, Mexico. [Bossu, F.; Buthelezi, Z.; Foertsch, S.; Murray, S.; Senosi, K.; Steyn, G.] Natl Res Fdn, iThemba LABS, Somerset West, South Africa. [Batyunya, B.; Grigoryan, S.; Malinina, L.; Mikhaylov, K.; Nomokonov, P.; Rogochaya, E.; Vodopyanov, A.; Zaporozhets, S.] Joint Inst Nucl Res, Dubna, Russia. [Oh, S. K.; Seo, J.] Konkuk Univ, Seoul, South Korea. [Ahn, S. U.; Jang, H. J.; Kim, D. W.] Korea Inst Sci & Technol Informat, Daejeon, South Korea. [Uysal, A. Karasu; Okatan, A.] KTO Karatay Univ, Konya, Turkey. [Barret, V.; Bastid, N.; Camejo, A. Batista; Crochet, P.; Dupieux, P.; Feuillard, V. J. G.; Li, S.; Lopez, X.; Manso, F.; Porteboeuf-Houssais, S.; Rosnet, P.; Singh, R.; Palomo, L. Valencia; Vulpescu, B.] Univ Blaise Pascal, Clermont Univ, LPC, CNRS IN2P3, Clermont Ferrand, France. [Balbastre, G. Conesa; Faivre, J.; Furget, C.; Guernane, R.; Real, J. S.; Silvestre, C.; Vauthier, A.] Univ Grenoble Alpes, Lab Phys Subatom & Cosmol, CNRS IN2P3, Grenoble, France. [Bianchi, N.; Diaz, L. Calero; Di Nezza, P.; Fantoni, A.; Gianotti, P.; Muccifora, V.; Reolon, A. R.; Ronchetti, F.; Sakai, S.; Spiriti, E.] Ist Nazl Fis Nucl, Lab Nazl Frascati, POB 13, I-00044 Frascati, Italy. [Ricci, R. A.; Venaruzzo, M.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [Bock, F.; Fasel, M.; Gangadharan, D. R.; Jacobs, P. M.; Loizides, C.; Ploskon, M.; Porter, J.; Symons, T. J. M.; Thader, J.; Zhang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Soltz, R.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Belyaev, V.; Bogdanov, A.; Grigoriev, V.; Ippolitov, M.; Kondratyeva, N.; Loginov, V.; Melikyan, Y.; Peresunko, D.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Deloff, A.; Dobrowolski, T.; Ilkiv, I.; Kovalenko, O.; Kurashvili, P.; Redlich, K.; Siemiarczuk, T.; Stefanek, G.; Wilk, G.] Natl Ctr Nucl Studies, Warsaw, Poland. [Andrei, C.; Berceanu, I.; Bercuci, A.; Herghelegiu, A.; Petrovici, M.; Pop, A.; Schiaua, C.; Tarzila, M. G.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Biswas, S.; Kaplin, V.; Kumar, L.; Mohanty, B.; Nayak, K.; Singha, S.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Bearden, I. G.; Bilandzic, A.; Boggild, H.; Chojnacki, M.; Christensen, C. H.; Gaardhoje, J. J.; Gulbrandsen, K.; Hansen, A.; Nielsen, B. S.; Zaccolo, V.; Zhou, Y.] Univ Copenhagen, Niels Bohr Inst, Blegdamsvej 17, DK-2100 Copenhagen, Denmark. [Christakoglou, P.; Dobrin, A.; Kuijer, P. G.; Lehas, F.; Lara, C. E. Perez; Manso, A. Rodriguez] Natl Inst Subatomaire Fys, Nikhef, Amsterdam, Netherlands. [Borri, M.; Lemmon, R. C.] STFC Daresbury Lab, Nucl Phys Grp, Daresbury, England. 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R.; Gupta, A.; Gupta, R.; Kour, M.; Kumar, A.; Mahajan, S.; Rajput, S.; Sambyal, S.; Sharma, A.; Sharma, M.] Univ Jammu, Dept Phys, Jammu 180004, India. [Raniwala, R.; Raniwala, S.] Univ Rajasthan, Dept Phys, Jaipur 302004, Rajasthan, India. [Dahms, T.; Fabbietti, L.; Gasik, P.; Vorobyev, I.] Tech Univ Munich, Dept Phys, D-80290 Munich, Germany. [Anguelov, V.; Bock, F.; Busch, O.; Deisting, A.; Fleck, M. G.; Assel, P. Gl; Karayan, L.; Klein, J.; Knichel, M. L.; Leardini, L.; Perez, J. Mercado; Oeschler, H.; Oyama, K.; Pachmayer, Y.; Reidt, F.; Reygers, K.; Schicker, R.; Stachel, J.; Stiller, J. H.; Volkl, M. A.; Wang, Y.; Wilkinson, J.; Windelband, B.; Winn, M.; Zimmermann, A.] Heidelberg Univ, Inst Phys, Philosophenweg 12, Heidelberg, Germany. [Aimo, I.] Politecn Torino, Turin, Italy. [Browning, T. A.; Scharenberg, R. P.; Srivastava, B. K.] Purdue Univ, W Lafayette, IN 47907 USA. [Borissov, A.; Choi, K.; Chung, S. U.; Eum, J.; Seo, J.; Song, J.; Yoo, I. -K.] Pusan Natl Univ, Pusan 609735, South Korea. [Andronic, A.; Averbeck, R.; Braun-Munzinger, P.; Deisting, A.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Bustamante, R. T. Jimenez; Karayan, L.; Kollegger, T.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. A.; Masciocchi, S.; Miskowiec, D.; Nicassio, M.; Onderwaater, J.; Park, W. J.; Schmidt, C.; Schwarz, K.; Schweda, K.; Selyuzhenkov, I.; Thader, J.; Vranic, D.; Wagner, J.; Weber, S. G.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, Darmstadt, Germany. [Andronic, A.; Averbeck, R.; Braun-Munzinger, P.; Deisting, A.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Bustamante, R. T. Jimenez; Karayan, L.; Kollegger, T.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. A.; Masciocchi, S.; Miskowiec, D.; Nicassio, M.; Onderwaater, J.; Park, W. J.; Schmidt, C.; Schwarz, K.; Schweda, K.; Selyuzhenkov, I.; Thader, J.; Vranic, D.; Wagner, J.; Weber, S. G.] GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, Darmstadt, Germany. [Anticic, T.] Rudjer Boskovic Inst, Zagreb, Croatia. [Budnikov, D.; Filchagin, S.; Ilkaev, R.; Kuryakin, A.; Mamonov, A.; Nazarenko, S.; Punin, V.; Tumkin, A.; Vinogradov, Y.; Vyushin, A.; Zaviyalov, N.] Russian Fed Nucl Ctr VNIIEF, Sarov, Russia. [Aleksandrov, D.; Blau, D.; Fokin, S.; Ippolitov, M.; Manko, V.; Nikolaev, S.; Nikulin, S.; Nyanin, A.; Peresunko, D.; Ryabinkin, E.; Sibiriak, Y.; Vasiliev, A.; Vinogradov, A.; Yushmanov, I.] Kurchatov Inst, Russian Res Ctr, Moscow, Russia. [Chattopadhyay, S.; Das, D.; Das, I.; Khan, P.; Paul, B.; Roy, P.; Sinha, T.] Saha Inst Nucl Phys, Kolkata, India. [Alexandre, D.; Barnby, L. S.; Evans, D.; Graham, K. L.; Jones, P. G.; Jusko, A.; Krivda, M.; Lee, G. R.; Lietava, R.; Baillie, O. Villalobos; Zardoshti, N.] Univ Birmingham, Sch Phys & Astron, Birmingham, W Midlands, England. [Villar, E. Calvo; Gago, A. M.] Pontificia Univ Catolica Peru, Dept Ciencias, Secc Fis, Lima, Peru. [De Cataldo, G.; Elia, D.; Lenti, V.; Manzari, V.; Minervini, L. M.; Nappi, E.; Paticchio, V.] Sezione Ist Nazl Fis Nucl, Bari, Italy. [Alici, A.; Antonioli, P.; Cindolo, F.; Hatzifotiadou, D.; Margotti, A.; Nania, R.; Noferini, F.; Pinazza, O.; Preghenella, R.; Scapparone, E.; Williams, M. C. S.; Zampolli, C.] Sezione Ist Nazl Fis Nucl, Bologna, Italy. [Cicalo, C.; Masoni, A.; Siddhanta, S.] Sezione Ist Nazl Fis Nucl, Cagliari, Italy. [Badala, A.; Pappalardo, G. S.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Antinori, F.; Dainese, A.; Fabris, D.; Turrisi, R.] Sezione Ist Nazl Fis Nucl, Padua, Italy. [Mazzoni, M. A.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Almaraz, J. R. M.; Fragiacomo, E.; Grion, N.; Piano, S.; Rachevski, A.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Agnello, M.; Aimo, I.; Alessandro, B.; Arnaldi, R.; Bagnasco, S.; Barbano, A. M.; Bedda, C.; Bruna, E.; Bufalino, S.; Cerello, P.; De Marco, N.; Feliciello, A.; La Pointe, S. L.; Oppedisano, C.; Prino, F.; Puccio, M.; Rivetti, A.; Scomparin, E.; Trogolo, S.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Evdokimov, S.; Izucheev, V.; Kharlov, Y.; Kondratyuk, E.; Petrov, V.; Polichtchouk, B.; Sadovsky, S.; Shangaraev, A.] NRC Kurchatov Inst, SSC IHEP, Protvino, Russia. [Aphecetche, L.; Audurier, B.; Batigne, G.; Erazmus, B.; Estienne, M.; Germain, M.; Blanco, J. Martin; Garcia, G. Martinez; Massacrier, L.; De Godoy, D. A. Moreira; Morreale, A.; Pillot, P.; Ronflette, L.; Schutz, Y.; Shabetai, A.; Stocco, D.; Wang, M.; Zhu, J.] Univ Nantes, Ecole Mines Nantes, SUBATECH, CNRS IN2P3, Nantes, France. [Kobdaj, C.; Poonsawat, W.] Suranaree Univ Technol, Nakhon Ratchasima, Thailand. [Cerkala, J.; Jadlovska, S.; Kopcik, M.; Papcun, P.] Tech Univ Kosice, Kosice, Slovakia. [Gotovac, S.; Mudnic, E.; Vickovic, L.] Tech Univ Split FESB, Split, Croatia. [Bartke, J.; Figiel, J.; Gladysz-Dziadus, E.; Gorlich, L.; Kowalski, M.; Matyja, A.; Mayer, C.; Otwinowski, J.; Rybicki, A.; Sputowska, I.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Blair, J. T.; Knospe, A. G.; Markert, C.; Thomas, D.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Monzon, I. Leon; Podesta-Lerma, P. L. M.] Univ Autonoma Sinaloa, Culiacan, Mexico. [Prado, C. Alves Garcia; Bregant, M.; Cosentino, M. R.; De, S.; Gimenez, D. Domenicis; Figueredo, M. A. S.; Jahnke, C.; Fernandes, C. Lagana; Luz, P. H. F. N. D.; Mas, A.; Munhoz, M. G.; Da Silva, A. C. Oliveira; De Oliveira Filho, E. Pereira; Suaide, A. A. P.; de Toledo, A. Szanto; Zanoli, H. J. C.] Univ Sao Paulo, Sao Paulo, Brazil. [Chinellato, D. D.; Dash, A.; Takahashi, J.] Univ Estadual Campinas UNICAMP, Campinas, SP, Brazil. [Bellwied, R.; Bianchi, L.; Jayarathna, P. H. S. Y.; Jena, S.; Mcdonald, D.; Mitra, J.; Ng, F.; Pinsky, L.; Piyarathna, D. B.; Timmins, A. R.] Univ Houston, Houston, TX USA. [Chang, B.; Kim, D. J.; Kral, J.; Rak, J.; Slupecki, M.; Snellman, T. W.; Trzaska, W. H.; Vargyas, M.; Viinikainen, J.] Univ Jyvaskyla, Jyvaskyla, Finland. [Chartier, M.; Figueredo, M. A. S.; Norman, J.; Romita, R.] Univ Liverpool, Liverpool L69 3BX, Merseyside, England. [Castro, A. J.; Mazer, J.; Nattrass, C.; Read, K. F.; Scott, R.; Sharma, N.; Sorensen, S.] Univ Tennessee, Knoxville, TN USA. [Vilakazi, Z.] Univ Witwatersrand, Johannesburg, South Africa. [Gunji, T.; Hamagaki, H.; Hayashi, S.; Sekiguchi, Y.; Terasaki, K.; Tsuji, T.; Watanabe, Y.] Univ Tokyo, Tokyo, Japan. [Bhom, J.; Busch, O.; Chujo, T.; Esumi, S.; Hosokawa, R.; Inaba, M.; Kobayashi, T.; Masui, H.; Miake, Y.; Sano, M.; Tanaka, N.; Watanabe, D.; Yokoyama, H.] Univ Tsukuba, Tsukuba, Ibaraki, Japan. [Erhardt, F.; Planinic, M.; Poljak, N.; Simatovic, G.; Utrobicic, A.] Univ Zagreb, Zagreb 41000, Croatia. [Cheshkov, C.; Cheynis, B.; Ducroux, L.; Grossiord, J. -Y.; Teyssier, B.; Tieulent, R.; Uras, A.] Univ Lyon 1, CNRS IN2P3, IPN Lyon, F-69622 Villeurbanne, France. [Altsybeev, I.; Feofilov, G.; Kolojvari, A.; Kondratiev, V.; Kovalenko, V.; Vechernin, V.; Vinogradov, L.; Zarochentsev, A.] St Petersburg State Univ, V Fock Inst Phys, St Petersburg 199034, Russia. [Ahammed, Z.; Alam, S. N.; Basu, S.; Chattopadhyay, S.; Choudhury, S.; Dubey, A. K.; Ghosh, P.; Kar, S.; Khan, S. A.; Mohanty, B.; Muhuri, S.; Mukherjee, M.; Nayak, T. K.; Pal, S. K.; Patra, R. N.; Saini, J.; Sarkar, D.; Singaraju, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Viyogi, Y. P.] Ctr Variable Energy Cyclotron, Kolkata, India. [Milosevic, J.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Graczykowski, L. K.; Janik, M. A.; Kisiel, A.; Oleniacz, J.; Pluta, J.; Szymanski, M.; Zaborowska, A.; Zbroszczyk, H.] Warsaw Univ Technol, Warsaw, Poland. [Belmont, R.; Bianchin, C.; Pan, J.; Pruneau, C. A.; Pujahari, P.; Putschke, J.; Reed, R. J.; Saleh, M. A.; Verweij, M.; Voloshin, S. A.; Yaldo, C. G.] Wayne State Univ, Detroit, MI USA. [Barnafoldi, G. G.; Bencedi, G.; Berenyi, D.; Boldizsar, L.; De Nes, E.; Hamar, G.; Kiss, G.; Levai, P.; Lowe, A.; Olah, L.; Pochybova, S.; Varga, D.; Volpe, G.] Hungarian Acad Sci, Wigner Res Ctr Phys, Budapest, Hungary. [Aiola, S.; Caines, H.; Connors, M. E.; Ehlers, R. J.; Harris, J. W.; Majka, R. D.; Mulligan, J. D.; Oh, S.; Oliver, M. H.; Schuster, T.; Smirnov, N.] Yale Univ, New Haven, CT USA. [Kang, J. H.; Kim, B.; Kim, H.; Kim, M.; Kim, T.; Kwon, Y.; Lee, S.; Song, M.] Yonsei Univ, Seoul 120749, South Korea. [Keidel, R.] Fachhsch Worms, ZTT, Worms, Germany. RP Adam, J (reprint author), Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-16635 Prague, Czech Republic. RI Fernandez Tellez, Arturo/E-9700-2017; Vechernin, Vladimir/J-5832-2013; Pshenichnov, Igor/A-4063-2008; Castillo Castellanos, Javier/G-8915-2013; Ferreiro, Elena/C-3797-2017; Armesto, Nestor/C-4341-2017; Martinez Hernandez, Mario Ivan/F-4083-2010; Ferretti, Alessandro/F-4856-2013; Kovalenko, Vladimir/C-5709-2013; Altsybeev, Igor/K-6687-2013; Vickovic, Linda/F-3517-2017; Nattrass, Christine/J-6752-2016; Vinogradov, Leonid/K-3047-2013; Usai, Gianluca/E-9604-2015; Felea, Daniel/C-1885-2012; Chinellato, David/D-3092-2012; Cosentino, Mauro/L-2418-2014; Suaide, Alexandre/L-6239-2016; Takahashi, Jun/B-2946-2012; Barnby, Lee/G-2135-2010; Bregant, Marco/I-7663-2012; Peitzmann, Thomas/K-2206-2012; Kondratiev, Valery/J-8574-2013 OI Fernandez Tellez, Arturo/0000-0003-0152-4220; Vechernin, Vladimir/0000-0003-1458-8055; Pshenichnov, Igor/0000-0003-1752-4524; Castillo Castellanos, Javier/0000-0002-5187-2779; Ferreiro, Elena/0000-0002-4449-2356; Armesto, Nestor/0000-0003-0940-0783; Martinez Hernandez, Mario Ivan/0000-0002-8503-3009; Ferretti, Alessandro/0000-0001-9084-5784; Kovalenko, Vladimir/0000-0001-6012-6615; Altsybeev, Igor/0000-0002-8079-7026; Vickovic, Linda/0000-0002-9820-7960; Nattrass, Christine/0000-0002-8768-6468; Vinogradov, Leonid/0000-0001-9247-6230; Usai, Gianluca/0000-0002-8659-8378; Felea, Daniel/0000-0002-3734-9439; Chinellato, David/0000-0002-9982-9577; Cosentino, Mauro/0000-0002-7880-8611; Suaide, Alexandre/0000-0003-2847-6556; Takahashi, Jun/0000-0002-4091-1779; Barnby, Lee/0000-0001-7357-9904; Peitzmann, Thomas/0000-0002-7116-899X; Kondratiev, Valery/0000-0002-0031-0741 FU Worldwide LHC Computing Grid (WLCG) collaboration; State Committee of Science, Armenia; Swiss Fonds Kidagan, Armenia; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); National Natural Science Foundation of China (NSFC); Chinese Ministry of Education (CMOE); Ministry of Science and Technology of China (MSTC); Ministry of Education and Youth of the Czech Republic; Danish Natural Science Research Council; Carlsberg Foundation; Danish National Research Foundation; European Research Council under the European Community's Seventh Framework Programme; Helsinki Institute of Physics; Academy of Finland; French CNRS-IN2P3, France; 'Region Pays de Loire', France; 'Region Alsace', France; 'Region Auvergne', France; CEA, France; German Bundesministerium fur Bildung, Wissenschaft, Forschung und Technologie (BMBF); Helmholtz Association; General Secretariat for Research and Technology, Ministry of Development, Greece; Hungarian Orszagos Tudomanyos Kutatasi Alappgrammok (OTKA); National Office for Research and Technology (NKTH); Department of Atomic Energy and Department of Science and Technology of the Government of India; Istituto Nazionale di Fisica Nucleare (INFN), Italy; Centro Fermi - Museo Storico della Fisica e Centro Studi e Ricerche "Enrico Fermi", Italy; MEXT, Japan; Joint Institute for Nuclear Research, Dubna; National Research Foundation of Korea (NRF); Consejo Nacional de Cienca y Tecnologia (CONACYT); Direccion General de Asuntos del Personal Academico (DGAPA), Mexico; Amerique Latine Formation academique - European Commission (ALFA-EC); EPLANET Program (European Particle Physics Latin American Network); Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Netherlands; Research Council of Norway (NFR); National Science Centre, Poland; Consiliul National al Cercetarii Stiintifice - Executive Agency for Higher Education Research Development and Innovation Funding (CNCS-UEFISCDI) - Romania; Ministry of Education and Science of Russian Federation; Russian Academy of Sciences; Russian Federal Agency of Atomic Energy; Russian Federal Agency for Science and Innovations; Russian Foundation for Basic Research; Ministry of Education of Slovakia; Department of Science and Technology, South Africa; Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT); E-Infrastructure shared between Europe and Latin America (EELA); Ministerio de Economia y Competitividad (MINECO) of Spain; Xunta de Galicia (Conselleria de Educacion); Centro de Aplicaciones Tecnologicas y Desarrollo Nuclear (CEADEN); Cubaenergia, Cuba; IAEA (International Atomic Energy Agency); Swedish Research Council (VR); Knut & Alice Wallenberg Foundation (KAW); Ukraine Ministry of Education and Science; United Kingdom Science and Technology Facilities Council (STFC); United States Department of Energy; United States National Science Foundation; State of Texas; State of Ohio; Ministry of Science, Education and Sports of Croatia and Unity through Knowledge Fund, Croatia; Council of Scientific and Industrial Research (CSIR), New Delhi, India; World Federation of Scientists (WFS), Armenia; Ministry of National Education/Institute for Atomic Physics FX The ALICE Collaboration would like to thank all its engineers and technicians for their invaluable contributions to the construction of the experiment and the CERN accelerator teams for the outstanding performance of the LHC complex. The ALICE Collaboration gratefully acknowledges the resources and support provided by all Grid centres and the Worldwide LHC Computing Grid (WLCG) collaboration.; The ALICE Collaboration acknowledges the following funding agencies for their support in building and running the ALICE detector: State Committee of Science, World Federation of Scientists (WFS) and Swiss Fonds Kidagan, Armenia; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); National Natural Science Foundation of China (NSFC), the Chinese Ministry of Education (CMOE) and the Ministry of Science and Technology of China (MSTC); Ministry of Education and Youth of the Czech Republic; Danish Natural Science Research Council, the Carlsberg Foundation and the Danish National Research Foundation; The European Research Council under the European Community's Seventh Framework Programme; Helsinki Institute of Physics and the Academy of Finland; French CNRS-IN2P3, the 'Region Pays de Loire', 'Region Alsace', 'Region Auvergne' and CEA, France; German Bundesministerium fur Bildung, Wissenschaft, Forschung und Technologie (BMBF) and the Helmholtz Association; General Secretariat for Research and Technology, Ministry of Development, Greece; Hungarian Orszagos Tudomanyos Kutatasi Alappgrammok (OTKA) and National Office for Research and Technology (NKTH); Department of Atomic Energy and Department of Science and Technology of the Government of India; Istituto Nazionale di Fisica Nucleare (INFN) and Centro Fermi - Museo Storico della Fisica e Centro Studi e Ricerche "Enrico Fermi", Italy; MEXT Grant-in-Aid for Specially Promoted Research, Japan; Joint Institute for Nuclear Research, Dubna; National Research Foundation of Korea (NRF); Consejo Nacional de Cienca y Tecnologia (CONACYT), Direccion General de Asuntos del Personal Academico (DGAPA), Mexico, Amerique Latine Formation academique - European Commission (ALFA-EC) and the EPLANET Program (European Particle Physics Latin American Network); Stichting voor Fundamenteel Onderzoek der Materie (FOM) and the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Netherlands; Research Council of Norway (NFR); National Science Centre, Poland; Ministry of National Education/Institute for Atomic Physics and Consiliul National al Cercetarii Stiintifice - Executive Agency for Higher Education Research Development and Innovation Funding (CNCS-UEFISCDI) - Romania; Ministry of Education and Science of Russian Federation, Russian Academy of Sciences, Russian Federal Agency of Atomic Energy, Russian Federal Agency for Science and Innovations and The Russian Foundation for Basic Research; Ministry of Education of Slovakia; Department of Science and Technology, South Africa; Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT), E-Infrastructure shared between Europe and Latin America (EELA), Ministerio de Economia y Competitividad (MINECO) of Spain, Xunta de Galicia (Conselleria de Educacion), Centro de Aplicaciones Tecnologicas y Desarrollo Nuclear (CEADEN), Cubaenergia, Cuba, and IAEA (International Atomic Energy Agency); Swedish Research Council (VR) and Knut & Alice Wallenberg Foundation (KAW); Ukraine Ministry of Education and Science; United Kingdom Science and Technology Facilities Council (STFC); The United States Department of Energy, the United States National Science Foundation, the State of Texas, and the State of Ohio; Ministry of Science, Education and Sports of Croatia and Unity through Knowledge Fund, Croatia; Council of Scientific and Industrial Research (CSIR), New Delhi, India. NR 69 TC 7 Z9 7 U1 9 U2 27 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 31 PY 2016 IS 5 AR 179 DI 10.1007/JHEP05(2016)179 PG 49 WC Physics, Particles & Fields SC Physics GA DN9XW UT WOS:000377435000001 ER PT J AU Dai, C Stack, AG Koish, A Fernandez-Martinez, A Lee, SS Hu, YD AF Dai, Chong Stack, Andrew G. Koish, Ayumi Fernandez-Martinez, Alejandro Lee, Sang Soo Hu, Yandi TI Heterogeneous Nucleation and Growth of Barium Sulfate at Organic-Water Interfaces: Interplay between Surface Hydrophobicity and Ba2+ Adsorption SO LANGMUIR LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; AQUEOUS-SOLUTIONS; SOLID-SOLUTIONS; SCALE PREDICTION; CRYSTAL-GROWTH; GAS-PRODUCTION; KINETICS; PRECIPITATION; MECHANISMS; SUPERSATURATION AB Barium sulfate (BaSO4) is a common scale-forming mineral in natural and engineered systems, yet the rates and mechanisms of heterogeneous BaSO4 nucleation are not understood. To address these, we created idealized interfaces on which to study heterogeneous nucleation rates and mechanisms, which also are good models for organic-water interfaces: self-assembled thin films terminated with different functional groups (i.e., -COOH, -SH, or mixed -SH & COOH) coated on glass slides. BaSO4 precipitation on coatings from Barite-supersaturated solutions (saturation index, SI, = 1.1) was investigated using grazing-incidence small-angle X-ray scattering. After reaction for 1 h, a little amount of BaSO4 formed on hydrophilic bare and -COOH coated glasses. Meanwhile, BaSO4 nucleation was significantly promoted on hydrophobic-SH and mixed-SH & COOH coatings. This is because substrate hydrophobicity likely affected the interfacial energy and hence thermodynamic favorability of heterogeneous nucleation. The heterogeneous BaSO4 nucleation and growth kinetics were found to be affected by the amount of Ba2+ adsorption onto the substrate and incipient BaSO4 nuclei. The importance of Ba2+ adsorption was further corroborated by the finding that precipitation rate increased under [Ba2+]/[SO42-] concentration ratios >1. These observations suggest that thermodynamic favorability for nucleation is governed by substrate water interfacial energy, while given favorable thermodynamics, the rate is governed by ion attachment to substrates and incipient nuclei. C1 [Dai, Chong; Hu, Yandi] Univ Houston, Dept Civil & Environm Engn, Houston, TX 77004 USA. [Stack, Andrew G.] Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS-6110, Oak Ridge, TN 37831 USA. [Koish, Ayumi; Fernandez-Martinez, Alejandro] Univ Grenoble Alpes, ISTerre, F-38041 Grenoble, France. [Fernandez-Martinez, Alejandro] CNRS, ISTerre, F-38041 Grenoble, France. [Lee, Sang Soo] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Hu, YD (reprint author), Univ Houston, Dept Civil & Environm Engn, Houston, TX 77004 USA. EM yhu11@uh.edu FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; EC2CO (CNRS-INSU) NUCLEATION program; Labex OSUG [ANR10 LABX56]; PICS (CNRS) [06736]; State of Texas as part of the program of the Texas Hazardous Waste Research Center; US Department of Energy, Office of Science, Office of Basic Energy Science [DE-AC02-06CH11357] FX This material is primarily based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, and supported C. Dai, A. G. Stack, S. S. Lee, and Y. Hu. A. Koishi, and A. Fernandez-Martinez acknowledge funding from the EC2CO (CNRS-INSU) NUCLEATION program, Labex OSUG@2020 (Investissements d'avenir - ANR10 LABX56), and the PICS (CNRS) No. 06736. This project has been funded in part with funds from the State of Texas as part of the program of the Texas Hazardous Waste Research Center, to support the preliminary work conducted by C. Dai and Y. Hu. The contents do not necessarily reflect the views and policies of the sponsor nor does the mention of trade names or commercial products constitute endorsement or recommendation for use. We thank Dr. Xiaobing Zuo and Dr. Byeongdu Lee for valuable discussions on GISAXS experiments and data analysis at beamline 12ID-B. Use of the facilities at beamlines Sector 12 ID-B and 33-BM-C at APS was supported by the US Department of Energy, Office of Science, Office of Basic Energy Science, under Contract DE-AC02-06CH11357. NR 58 TC 2 Z9 2 U1 11 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAY 31 PY 2016 VL 32 IS 21 BP 5277 EP 5284 DI 10.1021/acs.langmuir.6b01036 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DN5ZV UT WOS:000377151300007 PM 27163157 ER PT J AU Bimonte, G Lopez, D Decca, RS AF Bimonte, G. Lopez, D. Decca, R. S. TI Isoelectronic determination of the thermal Casimir force SO PHYSICAL REVIEW B LA English DT Article ID MU-M; RANGE; CONSTRAINTS; PARTICLES AB Differential force measurements between spheres coated with either nickel or gold and rotating disks with periodic distributions of nickel and gold are reported. The rotating samples are covered by a thin layer of titanium and a layer of gold. While titanium is used for fabrication purposes, the gold layer (nominal thicknesses of 21, 37, 47, and 87 nm) provides an isoelectronic environment, and is used to nullify the electrostatic contribution but allow the passage of long wavelength Casimir photons. A direct comparison between the experimental results and predictions from Drude and plasma models for the electrical permittivity is carried out. In the models, the magnetic permeability of nickel is allowed to change to investigate its effects. Possible sources of errors, both in the experimental and theoretical sides, are taken into account. It is found that a Drude response with magnetic properties of nickel taken into account is unequivocally ruled out. The full analysis of the data indicates that a dielectric plasma response with the magnetic properties of Ni included shows good agreement with the data. Neither a Drude nor a plasma dielectric response provide a satisfactory description if the magnetic properties of nickel are disregarded. C1 [Bimonte, G.] Univ Naples Federico II, Dipartimento Fis, Complesso Univ MSA,Via Cintia, I-80126 Naples, Italy. [Bimonte, G.] Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy. [Lopez, D.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. [Decca, R. S.] Indiana Univ Purdue Univ, Dept Phys, Indianapolis, IN 46202 USA. RP Decca, RS (reprint author), Indiana Univ Purdue Univ, Dept Phys, Indianapolis, IN 46202 USA. EM rdecca@iupui.edu FU Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357]; IUPUI Nanoscale Imaging Center; IUPUI Integrated Nanosystems Development Institute; Indiana University Center for Space Symmetries FX This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. R.S.D. acknowledges financial and technical support from the IUPUI Nanoscale Imaging Center, the IUPUI Integrated Nanosystems Development Institute, and the Indiana University Center for Space Symmetries. NR 61 TC 13 Z9 13 U1 3 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2016 VL 93 IS 18 AR 184434 DI 10.1103/PhysRevB.93.184434 PG 15 WC Physics, Condensed Matter SC Physics GA DN2QS UT WOS:000376908700005 ER PT J AU Kulju, S Akola, J Prendergast, D Jones, RO AF Kulju, S. Akola, J. Prendergast, D. Jones, R. O. TI Tuning electronic properties of graphene heterostructures by amorphous-to-crystalline phase transitions SO PHYSICAL REVIEW B LA English DT Article ID RANDOM-ACCESS MEMORY; DATA-STORAGE; DENSITY; ALGORITHM; GE2SB2TE5; MEMBRANES; ADHESION; FILMS AB The remarkable ability of phase change materials (PCM) to switch between amorphous and crystalline states on a nanosecond time scale could provide new opportunities for graphene engineering. We have used density functional calculations to investigate the structures and electronic properties of heterostructures of thin amorphous and crystalline films of the PCM GeTe (16 angstrom thick) and Ge2Sb2Te5 (20 angstrom) between graphene layers. The interaction between graphene and PCM is very weak, charge transfer is negligible, and the structures of the chalcogenide films differ little from those of bulk phases. A crystalline GeTe (111) layer induces a band gap opening of 80 meV at the Dirac point. This effect is absent for the amorphous film, but the Fermi energy shifts down along the Dirac cone by -60 meV. Ge2Sb2Te5 shows similar features, although inherent disorder in the crystalline rocksalt structure reduces the contrast in band structure from that in the amorphous structure. These features originate in charge polarization within the crystalline films, which show electromechanical response (piezoelectricity) upon compression, and show that the electronic properties of graphene structures can be tuned by inducing ultrafast structural transitions within the chalcogenide layers. Graphene can also be used to manipulate the structural state of the PCM layer and its electronic and optical properties. C1 [Kulju, S.; Akola, J.] Tampere Univ Technol, Dept Phys, POB 692, FI-33101 Tampere, Finland. [Kulju, S.; Akola, J.] Aalto Univ, Dept Appl Phys, COMP Ctr Excellence, FI-00076 Aalto, Finland. [Kulju, S.; Akola, J.; Prendergast, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Jones, R. O.] Forschungszentrum Julich, Peter Grunberg Inst PGI 1, D-52425 Julich, Germany. [Jones, R. O.] Forschungszentrum Julich, JARA HPC, D-52425 Julich, Germany. RP Akola, J (reprint author), Tampere Univ Technol, Dept Phys, POB 692, FI-33101 Tampere, Finland.; Akola, J (reprint author), Aalto Univ, Dept Appl Phys, COMP Ctr Excellence, FI-00076 Aalto, Finland.; Akola, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jaakko.akola@tut.fi RI Jones, Robert/B-3235-2014; Akola, Jaakko/L-6076-2013 OI Jones, Robert/0000-0003-1167-4812; Akola, Jaakko/0000-0001-9037-7095 FU Academy of Finland through its Centres of Excellence Program [284621]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We are grateful for grants of computer time at CSC-IT Center for Science (Espoo, Finland), on the JUQUEEN supercomputer at the Julich Supercomputing Centre (Forschungszentrum Julich, Germany) from the JARA-HPC Vergabegremium (JARA-HPC partition), and on the VULCAN cluster managed by the High Performance Computing Services of the Lawrence Berkeley National Laboratory (LBNL, Berkeley, California, USA). J.A. and S.K. acknowledge financial support from the Academy of Finland through its Centres of Excellence Program (Project No. 284621). The Shirley code has been developed by D.P. at the Molecular Foundry (LBNL), supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 59 TC 0 Z9 0 U1 16 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2016 VL 93 IS 19 AR 195443 DI 10.1103/PhysRevB.93.195443 PG 8 WC Physics, Condensed Matter SC Physics GA DN2VF UT WOS:000376920400015 ER PT J AU Yue, Z Mkhitaryan, VV Raikh, ME AF Yue, Z. Mkhitaryan, V. V. Raikh, M. E. TI Spectral narrowing and spin echo for localized carriers with heavy-tailed Levy distribution of hopping times SO PHYSICAL REVIEW B LA English DT Article ID DEPOLARIZATION; RESONANCE; TRANSPORT; DISPERSION; SOLIDS AB We study analytically the free induction decay and the spin echo decay originating from the localized carriers moving between the sites which host random magnetic fields. Due to disorder in the site positions and energies, the on-site residence times, tau, are widely spread according to the Levy distribution. The power-law tail alpha tau(-1-alpha) in the distribution of tau does not affect the conventional spectral narrowing for alpha > 2 but leads to a dramatic acceleration of the free induction decay in the domain 2 > alpha > 1. The next abrupt acceleration of the decay takes place as a becomes smaller than 1. In the latter domain the decay does not follow a simple-exponent law. To capture the behavior of the average spin in this domain, we solve the evolution equation for the average spin using the approach different from the conventional approach based on the Laplace transform. Unlike the free induction decay, the tail in the distribution of the residence times leads to the slow decay of the spin echo. The echo is dominated by realizations of the carrier motion for which the number of sites, visited by the carrier, is minimal. C1 [Yue, Z.; Raikh, M. E.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Mkhitaryan, V. V.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Yue, Z (reprint author), Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. FU NSF MRSEC program [DMR 1121252]; Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358] FX We gratefully acknowledge numerous discussions with V. V. Dobrovitski. The work at the University of Utah was supported by the NSF MRSEC program under Grant No. DMR 1121252. The work at Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358. NR 29 TC 1 Z9 1 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2016 VL 93 IS 19 AR 195319 DI 10.1103/PhysRevB.93.195319 PG 8 WC Physics, Condensed Matter SC Physics GA DN2VF UT WOS:000376920400012 ER PT J AU Zhang, CL Lv, WC Tan, GT Song, Y Carr, SV Chi, SX Matsuda, M Christianson, AD Fernandez-Baca, JA Harriger, LW Dai, PC AF Zhang, Chenglin Lv, Weicheng Tan, Guotai Song, Yu Carr, Scott V. Chi, Songxue Matsuda, M. Christianson, A. D. Fernandez-Baca, J. A. Harriger, L. W. Dai, Pengcheng TI Electron doping evolution of the neutron spin resonance in NaFe1-xCoxAs SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; UNCONVENTIONAL SUPERCONDUCTORS; SCATTERING; EXCITATIONS AB Neutron spin resonance, a collective magnetic excitation coupled to superconductivity, is one of the most prominent features shared by a broad family of unconventional superconductors including copper oxides, iron pnictides, and heavy fermions. In this paper, we study the doping evolution of the resonances in NaFe1-xCox As covering the entire superconducting dome. For the underdoped compositions, two resonance modes coexist. As doping increases, the low-energy resonance gradually loses its spectral weight to the high-energy one but remains at the same energy. By contrast, in the overdoped regime we only find one single resonance, which acquires a broader width in both energy and momentum but retains approximately the same peak position even when T-c drops by nearly a half compared to optimal doping. These results suggest that the energy of the resonance in electron overdoped NaFe1-xCox As is neither simply proportional to T-c nor the superconducting gap but is controlled by the multiorbital character of the system and doped impurity scattering effect. C1 [Zhang, Chenglin; Lv, Weicheng; Song, Yu; Carr, Scott V.; Dai, Pengcheng] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Tan, Guotai; Dai, Pengcheng] Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China. [Chi, Songxue; Matsuda, M.; Christianson, A. D.; Fernandez-Baca, J. A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Fernandez-Baca, J. A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Harriger, L. W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Dai, PC (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.; Dai, PC (reprint author), Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China. EM pdai@rice.edu RI Dai, Pengcheng /C-9171-2012; Matsuda, Masaaki/A-6902-2016; christianson, andrew/A-3277-2016; Fernandez-Baca, Jaime/C-3984-2014; Chi, Songxue/A-6713-2013 OI Dai, Pengcheng /0000-0002-6088-3170; Matsuda, Masaaki/0000-0003-2209-9526; christianson, andrew/0000-0003-3369-5884; Fernandez-Baca, Jaime/0000-0001-9080-5096; Chi, Songxue/0000-0002-3851-9153 FU US DOE, BES [DE-SC0012311]; Robert A. Welch foundation [C-1893]; Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE FX We thank Caleb Redding and Z. C. Sims for their help in single crystal growth efforts. The single crystal growth and neutron scattering work at Rice is supported by the US DOE, BES under Contract No. DE-SC0012311 (P.D.). Part of the work is also supported by the Robert A. Welch foundation Grant No. C-1893 (P.D.). The use of Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE. NR 40 TC 1 Z9 1 U1 2 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2016 VL 93 IS 17 AR 174522 DI 10.1103/PhysRevB.93.174522 PG 6 WC Physics, Condensed Matter SC Physics GA DN2QQ UT WOS:000376908500010 ER PT J AU Adare, A Afanasiev, S Aidala, C Ajitanand, NN Akiba, Y Al-Bataineh, H Alexander, J Aoki, K Aramaki, Y Atomssa, ET Averbeck, R Awes, TC Azmoun, B Babintsev, V Bai, M Baksay, G Baksay, L Barish, KN Bassalleck, B Basye, AT Bathe, S Baublis, V Baumann, C Bazilevsky, A Belikov, S Belmont, R Bennett, R Berdnikov, A Berdnikov, Y Bickley, AA Bok, JS Boyle, K Brooks, ML Buesching, H Bumazhnov, V Bunce, G Butsyk, S Camacho, CM Campbell, S Chen, CH Chi, CY Chiu, M Choi, IJ Choudhury, RK Christiansen, P Chujo, T Chung, P Chvala, O Cianciolo, V Citron, Z Cole, BA Connors, M Constantin, P Csanad, M Csorgo, T Dahms, T Dairaku, S Danchev, I Das, K Datta, A David, G Denisov, A Deshpande, A Desmond, J Dietzsch, O Dion, A Donadelli, M Drapier, O Drees, A Drees, KA Durham, JM Durum, A Dutta, D Edwards, S Efremenko, YV Ellinghaus, F Engelmore, T Enokizono, A En'yo, H Esumi, S Fadem, B Fields, DE Finger, M Finger, M Fleuret, F Fokin, SL Fraenkel, Z Frantz, JE Franz, A Frawley, AD Fujiwara, K Fukao, Y Fusayasu, T Garishvili, I Glenn, A Gong, H Gonin, M Goto, Y de Cassagnac, RG Grau, N Greene, SV Perdekamp, MG Gu, Y Gunji, T Gustafsson, HA Haggerty, JS Hahn, KI Hamagaki, H Hamblen, J Han, R Hanks, J Hartouni, EP Haslum, E Hayano, R He, X Heffner, M Hemmick, TK Hester, T Hill, JC Hohlmann, M Holzmann, W Homma, K Hong, B Horaguchi, T Hornback, D Huang, S Ichihara, T Ichimiya, R Ide, J Ikeda, Y Imai, K Inaba, M Isenhower, D Ishihara, M Isobe, T Issah, M Isupov, A Ivanischev, D Jacak, BV Jia, J Jin, J Johnson, BM Joo, KS Jouan, D Jumper, DS Kajihara, F Kametani, S Kamihara, N Kamin, J Kang, JH Kapustinsky, J Karatsu, K Kawall, D Kawashima, M Kazantsev, AV Kempel, T Khanzadeev, A Kijima, KM Kim, BI Kim, DH Kim, DJ Kim, E Kim, EJ Kim, SH Kim, YJ Kinney, E Kiriluk, K Kiss, A Kistenev, E Kochenda, L Komkov, B Konno, M Koster, J Kotchetkov, D Kozlov, A Kral, A Kravitz, A Kunde, GJ Kurita, K Kurosawa, M Kwon, Y Kyle, GS Lacey, R Lai, YS Lajoie, JG Lebedev, A Lee, DM Lee, J Lee, K Lee, KB Lee, KS Leitch, MJ Leite, MAL Leitner, E Lenzi, B Li, X Liebing, P Levy, LAL Liska, T Litvinenko, A Liu, H Liu, MX Love, B Luechtenborg, R Lynch, D Maguire, CF Makdisi, YI Malakhov, A Malik, MD Manko, VI Mannel, E Mao, Y Masui, H Matathias, F McCumber, M McGaughey, PL Means, N Meredith, B Miake, Y Mignerey, AC Mikes, P Miki, K Milov, A Mishra, M Mitchell, JT Mizuno, S Mohanty, AK Morino, Y Morreale, A Morrison, DP Moukhanova, TV Murata, J Nagamiya, S Nagle, JL Naglis, M Nagy, MI Nakagawa, I Nakamiya, Y Nakamura, T Nakano, K Newby, J Nguyen, M Niida, T Nouicer, R Nyanin, AS O'Brien, E Oda, SX Ogilvie, CA Oka, M Okada, K Onuki, Y Oskarsson, A Ouchida, M Ozawa, K Pak, R Pantuev, V Papavassiliou, V Park, IH Park, J Park, SK Park, WJ Pate, SF Pei, H Peng, JC Pereira, H Peresedov, V Peressounko, DY Pinkenburg, C Pisani, RP Proissl, M Purschke, ML Purwar, AK Qu, H Rak, J Rakotozafindrabe, A Ravinovich, I Read, KF Reygers, K Reynolds, D Riabov, V Riabov, Y Richardson, E Roach, D Roche, G Rolnick, SD Rosati, M Rosen, CA Rosendahl, SSE Rosnet, P Rukoyatkin, P Ruzicka, P Sahlmueller, B Saito, N Sakaguchi, T Sakashita, K Samsonov, V Sano, S Sato, T Sawada, S Sedgwick, K Seele, J Seidl, R Semenov, AY Seto, R Sharma, D Shein, I Shibata, TA Shigaki, K Shimomura, M Shoji, K Shukla, P Sickles, A Silva, CL Silvermyr, D Silvestre, C Sim, KS Singh, BK Singh, CP Singh, V Slunecka, M Soltz, RA Sondheim, WE Sorensen, SP Sourikova, IV Sparks, NA Stankus, PW Stenlund, E Stoll, SP Sugitate, T Sukhanov, A Sziklai, J Takagui, EM Taketani, A Tanabe, R Tanaka, Y Tanida, K Tannenbaum, MJ Tarafdar, S Taranenko, A Tarjan, P Themann, H Thomas, TL Todoroki, T Togawa, M Toia, A Tomasek, L Torii, H Towell, RS Tserruya, I Tsuchimoto, Y Vale, C Valle, H van Hecke, HW Vazquez-Zambrano, E Veicht, A Velkovska, J Vertesi, R Vinogradov, AA Virius, M Vrba, V Vznuzdaev, E Wang, XR Watanabe, D Watanabe, K Watanabe, Y Wei, F Wei, R Wessels, J White, SN Winter, D Wood, JP Woody, CL Wright, RM Wysocki, M Xie, W Yamaguchi, YL Yamaura, K Yang, R Yanovich, A Ying, J Yokkaichi, S You, Z Young, GR Younus, I Yushmanov, IE Zajc, WA Zhang, C Zhou, S Zolin, L AF Adare, A. Afanasiev, S. Aidala, C. Ajitanand, N. N. Akiba, Y. Al-Bataineh, H. Alexander, J. Aoki, K. Aramaki, Y. Atomssa, E. T. Averbeck, R. Awes, T. C. Azmoun, B. Babintsev, V. Bai, M. Baksay, G. Baksay, L. Barish, K. N. Bassalleck, B. Basye, A. T. Bathe, S. Baublis, V. Baumann, C. Bazilevsky, A. Belikov, S. Belmont, R. Bennett, R. Berdnikov, A. Berdnikov, Y. Bickley, A. A. Bok, J. S. Boyle, K. Brooks, M. L. Buesching, H. Bumazhnov, V. Bunce, G. Butsyk, S. Camacho, C. M. Campbell, S. Chen, C. -H. Chi, C. Y. Chiu, M. Choi, I. J. Choudhury, R. K. Christiansen, P. Chujo, T. Chung, P. Chvala, O. Cianciolo, V. Citron, Z. Cole, B. A. Connors, M. Constantin, P. Csanad, M. Csorgo, T. Dahms, T. Dairaku, S. Danchev, I. Das, K. Datta, A. David, G. Denisov, A. Deshpande, A. Desmond, J. Dietzsch, O. Dion, A. Donadelli, M. Drapier, O. Drees, A. Drees, K. A. Durham, J. M. Durum, A. Dutta, D. Edwards, S. Efremenko, Y. V. Ellinghaus, F. Engelmore, T. Enokizono, A. En'yo, H. Esumi, S. Fadem, B. Fields, D. E. Finger, M. Finger, M., Jr. Fleuret, F. Fokin, S. L. Fraenkel, Z. Frantz, J. E. Franz, A. Frawley, A. D. Fujiwara, K. Fukao, Y. Fusayasu, T. Garishvili, I. Glenn, A. Gong, H. Gonin, M. Goto, Y. de Cassagnac, R. Granier Grau, N. Greene, S. V. Perdekamp, M. Grosse Gu, Y. Gunji, T. Gustafsson, H. -A. Haggerty, J. S. Hahn, K. I. Hamagaki, H. Hamblen, J. Han, R. Hanks, J. Hartouni, E. P. Haslum, E. Hayano, R. He, X. Heffner, M. Hemmick, T. K. Hester, T. Hill, J. C. Hohlmann, M. Holzmann, W. Homma, K. Hong, B. Horaguchi, T. Hornback, D. Huang, S. Ichihara, T. Ichimiya, R. Ide, J. Ikeda, Y. Imai, K. Inaba, M. Isenhower, D. Ishihara, M. Isobe, T. Issah, M. Isupov, A. Ivanischev, D. Jacak, B. V. Jia, J. Jin, J. Johnson, B. M. Joo, K. S. Jouan, D. Jumper, D. S. Kajihara, F. Kametani, S. Kamihara, N. Kamin, J. Kang, J. H. Kapustinsky, J. Karatsu, K. Kawall, D. Kawashima, M. Kazantsev, A. V. Kempel, T. Khanzadeev, A. Kijima, K. M. Kim, B. I. Kim, D. H. Kim, D. J. Kim, E. Kim, E. -J. Kim, S. H. Kim, Y. -J. Kinney, E. Kiriluk, K. Kiss, A. Kistenev, E. Kochenda, L. Komkov, B. Konno, M. Koster, J. Kotchetkov, D. Kozlov, A. Kral, A. Kravitz, A. Kunde, G. J. Kurita, K. Kurosawa, M. Kwon, Y. Kyle, G. S. Lacey, R. Lai, Y. S. Lajoie, J. G. Lebedev, A. Lee, D. M. Lee, J. Lee, K. Lee, K. B. Lee, K. S. Leitch, M. J. Leite, M. A. L. Leitner, E. Lenzi, B. Li, X. Liebing, P. Levy, L. A. Linden Liska, T. Litvinenko, A. Liu, H. Liu, M. X. Love, B. Luechtenborg, R. Lynch, D. Maguire, C. F. Makdisi, Y. I. Malakhov, A. Malik, M. D. Manko, V. I. Mannel, E. Mao, Y. Masui, H. Matathias, F. McCumber, M. McGaughey, P. L. Means, N. Meredith, B. Miake, Y. Mignerey, A. C. Mikes, P. Miki, K. Milov, A. Mishra, M. Mitchell, J. T. Mizuno, S. Mohanty, A. K. Morino, Y. Morreale, A. Morrison, D. P. Moukhanova, T. V. Murata, J. Nagamiya, S. Nagle, J. L. Naglis, M. Nagy, M. I. Nakagawa, I. Nakamiya, Y. Nakamura, T. Nakano, K. Newby, J. Nguyen, M. Niida, T. Nouicer, R. Nyanin, A. S. O'Brien, E. Oda, S. X. Ogilvie, C. A. Oka, M. Okada, K. Onuki, Y. Oskarsson, A. Ouchida, M. Ozawa, K. Pak, R. Pantuev, V. Papavassiliou, V. Park, I. H. Park, J. Park, S. K. Park, W. J. Pate, S. F. Pei, H. Peng, J. -C. Pereira, H. Peresedov, V. Peressounko, D. Yu. Pinkenburg, C. Pisani, R. P. Proissl, M. Purschke, M. L. Purwar, A. K. Qu, H. Rak, J. Rakotozafindrabe, A. Ravinovich, I. Read, K. F. Reygers, K. Reynolds, D. Riabov, V. Riabov, Y. Richardson, E. Roach, D. Roche, G. Rolnick, S. D. Rosati, M. Rosen, C. A. Rosendahl, S. S. E. Rosnet, P. Rukoyatkin, P. Ruzicka, P. Sahlmueller, B. Saito, N. Sakaguchi, T. Sakashita, K. Samsonov, V. Sano, S. Sato, T. Sawada, S. Sedgwick, K. Seele, J. Seidl, R. Semenov, A. Yu. Seto, R. Sharma, D. Shein, I. Shibata, T. -A. Shigaki, K. Shimomura, M. Shoji, K. Shukla, P. Sickles, A. Silva, C. L. Silvermyr, D. Silvestre, C. Sim, K. S. Singh, B. K. Singh, C. P. Singh, V. Slunecka, M. Soltz, R. A. Sondheim, W. E. Sorensen, S. P. Sourikova, I. V. Sparks, N. A. Stankus, P. W. Stenlund, E. Stoll, S. P. Sugitate, T. Sukhanov, A. Sziklai, J. Takagui, E. M. Taketani, A. Tanabe, R. Tanaka, Y. Tanida, K. Tannenbaum, M. J. Tarafdar, S. Taranenko, A. Tarjan, P. Themann, H. Thomas, T. L. Todoroki, T. Togawa, M. Toia, A. Tomasek, L. Torii, H. Towell, R. S. Tserruya, I. Tsuchimoto, Y. Vale, C. Valle, H. van Hecke, H. W. Vazquez-Zambrano, E. Veicht, A. Velkovska, J. Vertesi, R. Vinogradov, A. A. Virius, M. Vrba, V. Vznuzdaev, E. Wang, X. R. Watanabe, D. Watanabe, K. Watanabe, Y. Wei, F. Wei, R. Wessels, J. White, S. N. Winter, D. Wood, J. P. Woody, C. L. Wright, R. M. Wysocki, M. Xie, W. Yamaguchi, Y. L. Yamaura, K. Yang, R. Yanovich, A. Ying, J. Yokkaichi, S. You, Z. Young, G. R. Younus, I. Yushmanov, I. E. Zajc, W. A. Zhang, C. Zhou, S. Zolin, L. CA PHENIX Collaboration TI Measurement of the higher-order anisotropic flow coefficients for identified hadrons in Au plus Au collisions at root s(NN)=200 GeV SO PHYSICAL REVIEW C LA English DT Article ID RELATIVISTIC NUCLEAR COLLISIONS; QUARK-GLUON PLASMA; COLLABORATION; PERSPECTIVE AB Measurements of the anisotropic flow coefficients v(2){Psi(2)}, v(3){Psi(3)}, v(4){Psi(4)}, and v(4){Psi(2)} for identified particles (pi(+/-), K-+/-, and p + (p) over bar) at midrapidity, obtained relative to the event planes Psi(m) at forward rapidities in Au + Au collisions at root s(NN) = 200 GeV, are presented as a function of collision centrality and particle transverse momenta p(T). The v(n) coefficients show characteristic patterns consistent with hydrodynamical expansion of the matter produced in the collisions. For each harmonic n, a modified valence quark-number N-q scaling [plotting v(n){Psi(m)}/(N-q)(n/2) versus transverse kinetic energies (KET)/N-q] is observed to yield a single curve for all the measured particle species for a broad range of KET. A simultaneous blast-wave model fit to the observed v(n){Psi(m)}(p(T)) coefficients and published particle spectra identifies radial flow anisotropies rho(n){Psi(m)} and spatial eccentricities s(n){Psi(m)} at freeze-out. These are generally smaller than the initial-state participant-plane geometric eccentricities epsilon(n){Psi(PP)(m)} as also observed in the final eccentricity from quantum interferometry measurements with respect to the event plane. C1 [Basye, A. T.; Isenhower, D.; Jumper, D. S.; Sparks, N. A.; Towell, R. S.; Wood, J. P.; Wright, R. M.] Abilene Christian Univ, Abilene, TX 79699 USA. [Grau, N.] Augustana Univ, Dept Phys, Sioux Falls, SD 57197 USA. [Mishra, M.; Singh, B. K.; Singh, C. P.; Singh, V.; Tarafdar, S.] Banaras Hindu Univ, Dept Phys, Varanasi 221005, Uttar Pradesh, India. [Choudhury, R. K.; Dutta, D.; Mohanty, A. K.; Shukla, P.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Bathe, S.] CUNY Bernard M Baruch Coll, 17 Lexington Ave, New York, NY 10010 USA. [Bai, M.; Drees, K. A.; Makdisi, Y. I.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Azmoun, B.; Bazilevsky, A.; Belikov, S.; Buesching, H.; Bunce, G.; Chiu, M.; David, G.; Desmond, J.; Franz, A.; Haggerty, J. S.; Jia, J.; Johnson, B. M.; Kistenev, E.; Lynch, D.; Milov, A.; Mitchell, J. T.; Morrison, D. P.; Nouicer, R.; O'Brien, E.; Pak, R.; Pinkenburg, C.; Pisani, R. P.; Purschke, M. L.; Sakaguchi, T.; Sickles, A.; Sourikova, I. V.; Stoll, S. P.; Sukhanov, A.; Tannenbaum, M. J.; Vale, C.; White, S. N.; Woody, C. L.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Barish, K. N.; Bathe, S.; Chvala, O.; Hester, T.; Morreale, A.; Rolnick, S. D.; Sedgwick, K.; Seto, R.] Univ Calif Riverside, Riverside, CA 92521 USA. [Finger, M.; Finger, M., Jr.; Mikes, P.; Slunecka, M.] Charles Univ Prague, Ovocny Trh 5, CR-11636 Prague 1, Czech Republic. [Kim, E. -J.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Li, X.; Zhou, S.] China Inst Atom Energy, Sci & Technol Nucl Data Lab, Beijing 102413, Peoples R China. [Aramaki, Y.; Gunji, T.; Hamagaki, H.; Hayano, R.; Isobe, T.; Kajihara, F.; Morino, Y.; Oda, S. X.; Ozawa, K.; Sano, S.; Yamaguchi, Y. L.] Univ Tokyo, Grad Sch Sci, Ctr Nucl Study, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan. [Adare, A.; Belmont, R.; Bickley, A. A.; Ellinghaus, F.; Glenn, A.; Kinney, E.; Kiriluk, K.; Levy, L. A. Linden; Nagle, J. L.; Rosen, C. A.; Seele, J.; Wysocki, M.] Univ Colorado, Boulder, CO 80309 USA. [Chi, C. Y.; Cole, B. A.; Engelmore, T.; Grau, N.; Hanks, J.; Holzmann, W.; Jin, J.; Kravitz, A.; Lai, Y. S.; Mannel, E.; Matathias, F.; Vazquez-Zambrano, E.; Winter, D.; Zajc, W. A.] Columbia Univ, New York, NY 10027 USA. [Chi, C. Y.; Cole, B. A.; Engelmore, T.; Grau, N.; Hanks, J.; Holzmann, W.; Jin, J.; Kravitz, A.; Lai, Y. S.; Mannel, E.; Matathias, F.; Vazquez-Zambrano, E.; Winter, D.; Zajc, W. A.] Nevis Labs, Irvington, NY 10533 USA. [Kral, A.; Liska, T.; Virius, M.] Czech Tech Univ, Zikova 4, Prague 16636 6, Czech Republic. [Pereira, H.; Silvestre, C.] CEA Saclay, Dapnia, F-91191 Gif Sur Yvette, France. [Tarjan, P.; Vertesi, R.] Debrecen Univ, Egyet Ter 1, H-4010 Debrecen, Hungary. [Csanad, M.; Kiss, A.; Nagy, M. I.] Eotvos Lorand Univ, ELTE, Pazmany Peter Setany 1-A, H-1117 Budapest, Hungary. [Hahn, K. I.; Lee, J.; Park, I. H.] Ewha Womans Univ, Seoul 120750, South Korea. [Baksay, G.; Baksay, L.; Hohlmann, M.] Florida Inst Technol, Melbourne, FL 32901 USA. [Das, K.; Edwards, S.; Frawley, A. D.] Florida State Univ, Tallahassee, FL 32306 USA. [He, X.; Qu, H.; Ying, J.] Georgia State Univ, Atlanta, GA 30303 USA. [Homma, K.; Horaguchi, T.; Kijima, K. M.; Nakamiya, Y.; Ouchida, M.; Shigaki, K.; Sugitate, T.; Torii, H.; Tsuchimoto, Y.; Watanabe, D.; Yamaura, K.] Hiroshima Univ, Higashihiroshima 7398526, Japan. [Babintsev, V.; Bumazhnov, V.; Denisov, A.; Durum, A.; Shein, I.; Yanovich, A.] Inst High Energy Phys, State Res Ctr Russian Federat, IHEP Protvino, Protvino 142281, Russia. [Perdekamp, M. Grosse; Kim, Y. -J.; Koster, J.; Meredith, B.; Peng, J. -C.; Seidl, R.; Sickles, A.; Veicht, A.; Yang, R.] Univ Illinois, Urbana, IL 61801 USA. [Pantuev, V.] Russian Acad Sci, Inst Nucl Res, Prospekt 60 Letiya Oktyabrya 7a, Moscow 117312, Russia. [Mikes, P.; Ruzicka, P.; Tomasek, L.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Na Slovance 2, Prague 18221 8, Czech Republic. [Hill, J. C.; Kempel, T.; Lajoie, J. G.; Lebedev, A.; Ogilvie, C. A.; Pei, H.; Rosati, M.; Semenov, A. Yu.; Vale, C.; Wei, F.] Iowa State Univ, Ames, IA 50011 USA. [Imai, K.] Japan Atom Energy Agcy, Adv Sci Res Ctr, 2-4 Shirakata Shirane, Tokai, Ibaraki 3191195, Japan. [Afanasiev, S.; Isupov, A.; Litvinenko, A.; Malakhov, A.; Peresedov, V.; Rukoyatkin, P.; Zolin, L.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Kim, D. J.; Rak, J.] Univ Jyvaskyla, Helsinki Inst Phys, POB 35, FI-40014 Jyvaskyla, Finland. [Nagamiya, S.; Nakamura, T.; Saito, N.; Sawada, S.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki 3050801, Japan. [Hong, B.; Kim, B. I.; Lee, K. B.; Lee, K. S.; Park, S. K.; Park, W. J.; Sim, K. S.] Korea Univ, Seoul 136701, South Korea. [Fokin, S. L.; Kazantsev, A. V.; Manko, V. I.; Moukhanova, T. V.; Nyanin, A. S.; Peressounko, D. Yu.; Vinogradov, A. A.; Yushmanov, I. E.] Kurchatov Inst, Natl Res Ctr, Moscow 123098, Russia. [Aoki, K.; Dairaku, S.; Imai, K.; Karatsu, K.; Shoji, K.; Tanida, K.; Togawa, M.] Kyoto Univ, Kyoto 6068502, Japan. [Atomssa, E. T.; Drapier, O.; Fleuret, F.; Gonin, M.; de Cassagnac, R. Granier; Rakotozafindrabe, A.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, Route Saclay, F-91128 Palaiseau, France. [Younus, I.] Lahore Univ Management Sci, Dept Phys, Lahore 54792, Pakistan. [Enokizono, A.; Hartouni, E. P.; Heffner, M.; Newby, J.; Soltz, R. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Brooks, M. L.; Butsyk, S.; Camacho, C. M.; Constantin, P.; Durham, J. M.; Kapustinsky, J.; Kunde, G. J.; Lee, D. M.; Leitch, M. J.; Liu, H.; Liu, M. X.; McGaughey, P. L.; Purwar, A. K.; Sondheim, W. E.; van Hecke, H. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Roche, G.; Rosnet, P.] Univ Clermont Ferrand, CNRS, IN2P3, LPC, F-63177 Aubiere, France. [Christiansen, P.; Gustafsson, H. -A.; Haslum, E.; Oskarsson, A.; Rosendahl, S. S. E.; Stenlund, E.] Lund Univ, Dept Phys, Box 118, SE-22100 Lund, Sweden. [Mignerey, A. C.; Richardson, E.] Univ Maryland, College Pk, MD 20742 USA. [Aidala, C.; Datta, A.; Kawall, D.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Aidala, C.; Belmont, R.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Baumann, C.; Luechtenborg, R.; Reygers, K.; Sahlmueller, B.; Wessels, J.] Univ Munster, Inst Kernphys, Wilhelm Klemm Str 9, D-48149 Munster, Germany. [Fadem, B.; Ide, J.] Muhlenberg Coll, Allentown, PA 18104 USA. [Joo, K. S.; Kim, D. H.] Myongji Univ, Yongin 449728, Kyonggido, South Korea. [Fusayasu, T.; Tanaka, Y.] Nagasaki Inst Appl Sci, Nagasaki, Nagasaki 8510193, Japan. [Shimomura, M.] Nara Womens Univ, Nishi, Nara 6308506, Japan. [Riabov, V.; Samsonov, V.; Taranenko, A.] Natl Res Nucl Univ, MEPhI, Moscow Engn Phys Inst, Moscow 115409, Russia. [Bassalleck, B.; Fields, D. E.; Kotchetkov, D.; Malik, M. D.; Thomas, T. L.; Younus, I.] Univ New Mexico, Albuquerque, NM 87131 USA. [Al-Bataineh, H.; Bok, J. S.; Kyle, G. S.; Liu, H.; Papavassiliou, V.; Pate, S. F.; Wang, X. R.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Frantz, J. E.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Awes, T. C.; Cianciolo, V.; Efremenko, Y. V.; Read, K. F.; Silvermyr, D.; Stankus, P. W.; Young, G. R.; Zhang, C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Jouan, D.] Univ Paris Saclay, Univ Paris 11, IPN Orsay, CNRS,IN2P3, BP1, F-91406 Orsay, France. [Han, R.; Mao, Y.; You, Z.] Peking Univ, Beijing 100871, Peoples R China. [Baublis, V.; Ivanischev, D.; Khanzadeev, A.; Kochenda, L.; Komkov, B.; Riabov, V.; Riabov, Y.; Samsonov, V.; Vznuzdaev, E.] Petersburg Nucl Phys Inst, PNPI, Gatchina 188300, Leningrad Regio, Russia. [Akiba, Y.; Aoki, K.; Dairaku, S.; En'yo, H.; Fujiwara, K.; Fukao, Y.; Goto, Y.; Ichihara, T.; Ichimiya, R.; Imai, K.; Ishihara, M.; Isobe, T.; Kametani, S.; Karatsu, K.; Kawashima, M.; Kurita, K.; Kurosawa, M.; Mao, Y.; Miki, K.; Mizuno, S.; Murata, J.; Nagamiya, S.; Nakagawa, I.; Nakano, K.; Onuki, Y.; Ouchida, M.; Sakashita, K.; Shibata, T. -A.; Shoji, K.; Taketani, A.; Tanida, K.; Todoroki, T.; Togawa, M.; Watanabe, Y.; Yokkaichi, S.] RIKEN Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan. [Akiba, Y.; Bunce, G.; Deshpande, A.; En'yo, H.; Goto, Y.; Perdekamp, M. Grosse; Ichihara, T.; Kamihara, N.; Kawall, D.; Liebing, P.; Nakagawa, I.; Okada, K.; Taketani, A.; Tanida, K.; Watanabe, Y.; Xie, W.; Yokkaichi, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Kawashima, M.; Kurita, K.; Murata, J.] Rikkyo Univ, Dept Phys, 3-34-1 Nishi Ikebukuro, Toshima, Tokyo 1718501, Japan. [Berdnikov, A.; Berdnikov, Y.] St Petersburg State Polytech Univ, St Petersburg 195251, Russia. [Dietzsch, O.; Donadelli, M.; Leite, M. A. L.; Lenzi, B.; Silva, C. L.; Takagui, E. M.] Univ Sao Paulo, Inst Fis, Caixa Postal 66318, BR-05315970 Sao Paulo, Brazil. [Kim, E.; Lee, K.; Park, J.] Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea. [Ajitanand, N. N.; Alexander, J.; Chung, P.; Gu, Y.; Jia, J.; Lacey, R.; Reynolds, D.; Taranenko, A.; Wei, R.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Averbeck, R.; Bennett, R.; Boyle, K.; Campbell, S.; Chen, C. -H.; Citron, Z.; Connors, M.; Dahms, T.; Deshpande, A.; Dion, A.; Drees, A.; Durham, J. M.; Frantz, J. E.; Gong, H.; Hemmick, T. K.; Jacak, B. V.; Kamin, J.; McCumber, M.; Means, N.; Nguyen, M.; Pantuev, V.; Proissl, M.; Sahlmueller, B.; Themann, H.; Toia, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Garishvili, I.; Hamblen, J.; Hornback, D.; Read, K. F.; Sorensen, S. P.] Univ Tennessee, Knoxville, TN 37996 USA. [Nakano, K.; Sakashita, K.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. [Chujo, T.; Esumi, S.; Ikeda, Y.; Inaba, M.; Konno, M.; Masui, H.; Miake, Y.; Miki, K.; Mizuno, S.; Niida, T.; Oka, M.; Sato, T.; Shimomura, M.; Tanabe, R.; Todoroki, T.; Watanabe, K.] Univ Tsukuba, Ctr Integrated Res Fundamental Sci & Engn, Tsukuba, Ibaraki 305, Japan. [Belmont, R.; Danchev, I.; Greene, S. V.; Huang, S.; Issah, M.; Leitner, E.; Love, B.; Maguire, C. F.; Roach, D.; Valle, H.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Sano, S.] Waseda Univ, Adv Res Inst Sci & Engn, Shinjuku Ku, 17 Kikui Cho, Tokyo 1620044, Japan. [Fraenkel, Z.; Kozlov, A.; Naglis, M.; Ravinovich, I.; Sharma, D.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Csorgo, T.; Sziklai, J.; Vertesi, R.] Hungarian Acad Sci Wigner RCP RMKI, Wigner Res Ctr Phys, Inst Particle & Nucl Phys, POB 49, H-1525 Budapest 114, Hungary. [Bok, J. S.; Choi, I. J.; Kang, J. H.; Kim, S. H.; Kwon, Y.] Yonsei Univ, IPAP, Seoul 120749, South Korea. RP Morrison, DP (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.; Nagle, JL (reprint author), Univ Colorado, Boulder, CO 80309 USA. EM morrison@bnl.gov; jamie.nagle@colorado.edu RI Sorensen, Soren /K-1195-2016; Hayano, Ryugo/F-7889-2012; Durum, Artur/C-3027-2014; Yokkaichi, Satoshi/C-6215-2017; Taketani, Atsushi/E-1803-2017 OI Sorensen, Soren /0000-0002-5595-5643; Hayano, Ryugo/0000-0002-1214-7806; Taketani, Atsushi/0000-0002-4776-2315 FU Office of Nuclear Physics in the Office of Science of the Department of Energy (USA); National Science Foundation (USA); Abilene Christian University Research Council (USA); Research Foundation of SUNY (USA); Ministry of Education, Culture, Sports, Science, and Technology (Japan); Japan Society for the Promotion of Science (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (Brazil); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (People's Republic of China); Ministry of Education, Youth and Sports (Czech Republic); Centre National de la Recherche Scientifique, Commissariat a l'Energie Atomique (France); Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung (Germany); Deutscher Akademischer Austausch Dienst (Germany); Alexander von Humboldt Stiftung (Germany); National Science Fund; OTKA; Karoly Robert University College; Ch. Simonyi Fund (Hungary); Department of Atomic Energy (India); Department of Science and Technology (India); Israel Science Foundation (Israel); Basic Science Research Program through NRF of the Ministry of Education (Korea); Physics Department, Lahore University of Management Sciences (Pakistan); Ministry of Education and Science; VR (Sweden); Wallenberg Foundation (Sweden); U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; U.S.-Hungarian Fulbright Foundation for Educational Exchange; U.S.-Israel Binational Science Foundation; Russian Academy of Sciences; Federal Agency of Atomic Energy (Russia) FX We thank the staff of the Collider-Accelerator and Physics Departments at Brookhaven National Laboratory and the staff of the other PHENIX Collaboration participating institutions for their vital contributions. We acknowledge support from the Office of Nuclear Physics in the Office of Science of the Department of Energy, the National Science Foundation, Abilene Christian University Research Council, Research Foundation of SUNY, and Dean of the College of Arts and Sciences, Vanderbilt University (USA), Ministry of Education, Culture, Sports, Science, and Technology and the Japan Society for the Promotion of Science (Japan), Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil), Natural Science Foundation of China (People's Republic of China), Ministry of Education, Youth and Sports (Czech Republic), Centre National de la Recherche Scientifique, Commissariat a l'Energie Atomique, and Institut National de Physique Nucleaire et de Physique des Particules (France), Bundesministerium fur Bildung und Forschung, Deutscher Akademischer Austausch Dienst, and Alexander von Humboldt Stiftung (Germany), National Science Fund, OTKA, Karoly Robert University College, the Ch. Simonyi Fund (Hungary), Department of Atomic Energy and Department of Science and Technology (India), Israel Science Foundation (Israel), Basic Science Research Program through NRF of the Ministry of Education (Korea), Physics Department, Lahore University of Management Sciences (Pakistan), Ministry of Education and Science, Russian Academy of Sciences, Federal Agency of Atomic Energy (Russia), VR and Wallenberg Foundation (Sweden), the U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union, the U.S.-Hungarian Fulbright Foundation for Educational Exchange, and the U.S.-Israel Binational Science Foundation. NR 49 TC 5 Z9 5 U1 10 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 31 PY 2016 VL 93 IS 5 AR 051902 DI 10.1103/PhysRevC.93.051902 PG 8 WC Physics, Nuclear SC Physics GA DN2VP UT WOS:000376921400001 ER PT J AU Higinbotham, DW Kabir, A Lin, V Meekins, D Norum, B Sawatzky, B AF Higinbotham, Douglas W. Kabir, Al Amin Lin, Vincent Meekins, David Norum, Blaine Sawatzky, Brad TI Proton radius from electron scattering data SO PHYSICAL REVIEW C LA English DT Article ID MAGNETIC FORM-FACTORS; MUONIC HYDROGEN; SYSTEM AB Background: The proton charge radius extracted from recent muonic hydrogen Lamb shift measurements is significantly smaller than that extracted from atomic hydrogen and electron scattering measurements. The discrepancy has become known as the proton radius puzzle. Purpose: In an attempt to understand the discrepancy, we review high-precision electron scattering results from Mainz, Jefferson Lab, Saskatoon, and Stanford. Methods: We make use of stepwise regression techniques using the F test as well as the Akaike information criterion to systematically determine the predictive variables to use for a given set and range of electron scattering data as well as to provide multivariate error estimates. Results: Starting with the precision, low four-momentum transfer (Q(2)) data from Mainz (1980) and Saskatoon (1974), we find that a stepwise regression of the Maclaurin series using the F test as well as the Akaike information criterion justify using a linear extrapolation which yields a value for the proton radius that is consistent with the result obtained from muonic hydrogen measurements. Applying the same Maclaurin series and statistical criteria to the 2014 Rosenbluth results on G(E) from Mainz, we again find that the stepwise regression tends to favor a radius consistent with the muonic hydrogen radius but produces results that are extremely sensitive to the range of data included in the fit. Making use of the high-Q(2) data on G(E) to select functions which extrapolate to high Q(2), we find that a Pade (N = M = 1) statistical model works remarkably well, as does a dipole function with a 0.84 fm radius, G(E) (Q(2)) = (1 + Q(2) /0.66 GeV2)(-2). Conclusions: Rigorous applications of stepwise regression techniques and multivariate error estimates result in the extraction of a proton charge radius that is consistent with the muonic hydrogen result of 0.84 fm; either from linear extrapolation of the extremely-low-Q(2) data or by use of the Pade approximant for extrapolation using a larger range of data. Thus, based on a purely statistical analysis of electron scattering data, we conclude that the electron scattering results and the muonic hydrogen results are consistent. It is the atomic hydrogen results that are the outliers. C1 [Higinbotham, Douglas W.; Lin, Vincent; Meekins, David; Sawatzky, Brad] Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. [Kabir, Al Amin] Kent State Univ, Dept Phys, 105 Smith Hall, Kent, OH 44242 USA. [Lin, Vincent] Western Branch High Sch, 1968 Bruin Pl, Chesapeake, VA 23321 USA. [Norum, Blaine] Univ Virginia, Dept Phys, 382 McCormick Rd, Charlottesville, VA 22904 USA. RP Higinbotham, DW (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC05-060R23177, DE-SC0014325] FX We thank Jan Bernauer, Carl Carlson, Larry Cardman, Tim Gay, and Simon Sirca for many useful discussions and Dennis Skopik for answering our questions about the Saskatoon data. The fits were performed with the MINUIT package [29], R statistical computing language [30], and Wolfram's Mathematica. This material is based on work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Contracts No. DE-AC05-060R23177 and No. DE-SC0014325. NR 34 TC 4 Z9 4 U1 4 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 31 PY 2016 VL 93 IS 5 AR 055207 DI 10.1103/PhysRevC.93.055207 PG 9 WC Physics, Nuclear SC Physics GA DN2VP UT WOS:000376921400009 ER PT J AU Kearney, J Orlofsky, N Pierce, A AF Kearney, John Orlofsky, Nicholas Pierce, Aaron TI High-scale axions without isocurvature from inflationary dynamics SO PHYSICAL REVIEW D LA English DT Article ID DARK-MATTER; INVISIBLE AXION; EARLY UNIVERSE; CHAOTIC INFLATION; STANDARD MODEL; COSMIC STRINGS; COSMOLOGY; PERTURBATIONS; DENSITY; PHYSICS AB Observable primordial tensor modes in the cosmic microwave background (CMB) would point to a high scale of inflation H-I. If the scale of Peccei-Quinn (PQ) breaking f(a) is greater than H-I/2 pi, CMB constraints on isocurvature naively rule out QCD axion dark matter. This assumes the potential of the axion is unmodified during inflation. We revisit models where inflationary dynamics modify the axion potential and discuss how isocurvature bounds can be relaxed. We find that models that rely solely on a larger PQ-breaking scale during inflation f(I) require either late-time dilution of the axion abundance or highly super-Planckian f(I) that somehow does not dominate the inflationary energy density. Models that have enhanced explicit breaking of the PQ symmetry during inflation may allow f(a) close to the Planck scale. Avoiding disruption of inflationary dynamics provides important limits on the parameter space. C1 [Kearney, John] Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. [Orlofsky, Nicholas; Pierce, Aaron] Univ Michigan, Dept Phys, MCTP, Ann Arbor, MI 48109 USA. RP Kearney, J (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. FU DoE [DE-SC0007859]; Fermilab [DE-AC02-07CH11359]; United States Department of Energy; U.S. Department of Energy [DE-SC0007859] FX We would like to thank Yue Zhao, Patrick Fox, Kenji Kadota and Kiel Howe for valuable discussions. J. K. is supported by the DoE under Contract No. DE-SC0007859 and Fermilab, operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. The work of A. P. and N. O. is supported by the U.S. Department of Energy under Grant No. DE-SC0007859. NR 103 TC 2 Z9 2 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 31 PY 2016 VL 93 IS 9 AR 095026 DI 10.1103/PhysRevD.93.095026 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DN2VX UT WOS:000376922200005 ER PT J AU Suttle, LG Hare, JD Lebedev, SV Swadling, GF Burdiak, GC Ciardi, A Chittenden, JP Loureiro, NF Niasse, N Suzuki-Vidal, F Wu, J Yang, Q Clayson, T Frank, A Robinson, TS Smith, RA Stuart, N AF Suttle, L. G. Hare, J. D. Lebedev, S. V. Swadling, G. F. Burdiak, G. C. Ciardi, A. Chittenden, J. P. Loureiro, N. F. Niasse, N. Suzuki-Vidal, F. Wu, J. Yang, Q. Clayson, T. Frank, A. Robinson, T. S. Smith, R. A. Stuart, N. TI Structure of a Magnetic Flux Annihilation Layer Formed by the Collision of Supersonic, Magnetized Plasma Flows SO PHYSICAL REVIEW LETTERS LA English DT Article ID ARRAY Z-PINCHES; RECONNECTION; FIELD; ACCELERATION; DRIVEN; SHOCK AB We present experiments characterizing the detailed structure of a current layer, generated by the collision of two counterstreaming, supersonic and magnetized aluminum plasma flows. The antiparallel magnetic fields advected by the flows are found to be mutually annihilated inside the layer, giving rise to a bifurcated current structure-two narrow current sheets running along the outside surfaces of the layer. Measurements with Thomson scattering show a fast outflow of plasma along the layer and a high ion temperature (T-i similar to (Z) over barT(e), with average ionization (Z) over bar = 7). Analysis of the spatially resolved plasma parameters indicates that the advection and subsequent annihilation of the inflowing magnetic flux determines the structure of the layer, while the ion heating could be due to the development of kinetic, current-driven instabilities. C1 [Suttle, L. G.; Hare, J. D.; Lebedev, S. V.; Swadling, G. F.; Burdiak, G. C.; Chittenden, J. P.; Niasse, N.; Suzuki-Vidal, F.; Clayson, T.; Robinson, T. S.; Smith, R. A.; Stuart, N.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. [Ciardi, A.] Univ Paris 06, Sorbonne Univ, UMR 8112, LERMA, F-75005 Paris, France. [Ciardi, A.] PSL Res Univ, Observ Paris, CNRS, LERMA,UMR 8112, F-75014 Paris, France. [Loureiro, N. F.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Wu, J.] Xi An Jiao Tong Univ, State Key Lab Elect Insulat & Power Equipment, Xian 710049, Peoples R China. [Yang, Q.] China Acad Engn Phys, Inst Fluid Phys, Mianyang 621900, Peoples R China. [Frank, A.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Swadling, G. F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Suttle, LG (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. EM l.suttle10@imperial.ac.uk; s.lebedev@imperial.ac.uk RI Loureiro, Nuno/E-8719-2011; Swadling, George/S-5980-2016; OI Loureiro, Nuno/0000-0001-9755-6563; Swadling, George/0000-0001-8370-8837; Stuart, Nicholas/0000-0003-2882-2500 FU Engineering and Physical Sciences Research Council (EPSRC) [EP/G001324/1]; U.S. Department of Energy (DOE) [DE-F03-02NA00057, DE-SC-0001063] FX This work was supported in part by the Engineering and Physical Sciences Research Council (EPSRC) Grant No. EP/G001324/1, and by the U.S. Department of Energy (DOE) Awards No. DE-F03-02NA00057 and No. DE-SC-0001063. NR 32 TC 1 Z9 1 U1 6 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 31 PY 2016 VL 116 IS 22 AR 225001 DI 10.1103/PhysRevLett.116.225001 PG 6 WC Physics, Multidisciplinary SC Physics GA DN2XV UT WOS:000376927200003 PM 27314720 ER PT J AU Liu, Y Brito, J Dorris, MR Rivera-Rios, JC Seco, R Bates, KH Artaxo, P Duvoisin, S Keutsch, FN Kim, S Goldstein, AH Guenther, AB Manzi, AO Souza, RAF Springston, SR Watson, TB McKinney, KA Martin, ST AF Liu, Yingjun Brito, Joel Dorris, Matthew R. Rivera-Rios, Jean C. Seco, Roger Bates, Kelvin H. Artaxo, Paulo Duvoisin, Sergio, Jr. Keutsch, Frank N. Kim, Saewung Goldstein, Allen H. Guenther, Alex B. Manzi, Antonio O. Souza, Rodrigo A. F. Springston, Stephen R. Watson, Thomas B. McKinney, Karena A. Martin, Scot T. TI Isoprene photochemistry over the Amazon rainforest SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE isoprene photochemistry; Amazon; organic hydroperoxides ID NITROGEN-OXIDE EMISSIONS; TROPICAL FOREST; ATMOSPHERIC CHEMISTRY; BIOGENIC EMISSIONS; AEROSOL FORMATION; WET SEASON; OXIDATION; PHOTOOXIDATION; CANOPY; SURFACE AB Isoprene photooxidation is a major driver of atmospheric chemistry over forested regions. Isoprene reacts with hydroxyl radicals (OH) and molecular oxygen to produce isoprene peroxy radicals (ISOPOO). These radicals can react with hydroperoxyl radicals (HO2) to dominantly produce hydroxyhydroperoxides (ISOPOOH). They can also react with nitric oxide (NO) to largely produce methyl vinyl ketone (MVK) and methacrolein (MACR). Unimolecular isomerization and bimolecular reactions with organic peroxy radicals are also possible. There is uncertainty about the relative importance of each of these pathways in the atmosphere and possible changes because of anthropogenic pollution. Herein, measurements of ISOPOOH and MVK + MACR concentrations are reported over the central region of the Amazon basin during the wet season. The research site, downwind of an urban region, intercepted both background and polluted air masses during the GoAmazon2014/5 Experiment. Under background conditions, the confidence interval for the ratio of the ISOPOOH concentration to that of MVK + MACR spanned 0.4-0.6. This result implies a ratio of the reaction rate of ISOPOO with HO2 to that with NO of approximately unity. A value of unity is significantly smaller than simulated at present by global chemical transport models for this important, nominally low-NO, forested region of Earth. Under polluted conditions, when the concentrations of reactive nitrogen compounds were high (> 1 ppb), ISOPOOH concentrations dropped below the instrumental detection limit (<60 ppt). This abrupt shift in isoprene photooxidation, sparked by human activities, speaks to ongoing and possible future changes in the photochemistry active over the Amazon rainforest. C1 [Liu, Yingjun; Keutsch, Frank N.; McKinney, Karena A.; Martin, Scot T.] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Brito, Joel; Artaxo, Paulo] Univ Sao Paulo, Dept Appl Phys, BR-05508 Sao Paulo, Brazil. [Dorris, Matthew R.; Rivera-Rios, Jean C.; Keutsch, Frank N.] Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA. [Rivera-Rios, Jean C.; Keutsch, Frank N.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Seco, Roger; Kim, Saewung; Guenther, Alex B.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Bates, Kelvin H.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Duvoisin, Sergio, Jr.] Univ Estado Amazonas, Dept Chem, BR-69050 Manaus, Amazonas, Brazil. [Goldstein, Allen H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Guenther, Alex B.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Manzi, Antonio O.] Inst Nacl de Pesquisas da Amazonia, BR-69067 Manaus, Amazonas, Brazil. [Souza, Rodrigo A. F.] Univ Estado Amazonas, Dept Meteorol, BR-69050 Manaus, Amazonas, Brazil. [Springston, Stephen R.; Watson, Thomas B.] Brookhaven Natl Lab, Dept Environm & Climate Sci, Upton, NY 11973 USA. [Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP McKinney, KA; Martin, ST (reprint author), Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.; Martin, ST (reprint author), Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. EM kamckinney@seas.harvard.edu; scot_martin@harvard.edu RI Seco, Roger/F-7124-2011; Martin, Scot/G-1094-2015; Brito, Joel/B-6181-2013; Artaxo, Paulo/E-8874-2010; Kim, Saewung/E-4089-2012; OI Seco, Roger/0000-0002-2078-9956; Martin, Scot/0000-0002-8996-7554; Brito, Joel/0000-0002-4420-9442; Artaxo, Paulo/0000-0001-7754-3036; Liu, Yingjun/0000-0001-6659-3660 NR 46 TC 4 Z9 4 U1 10 U2 43 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 31 PY 2016 VL 113 IS 22 BP 6125 EP 6130 DI 10.1073/pnas.1524136113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DN0VL UT WOS:000376784600030 PM 27185928 ER PT J AU Manga, P Klingeman, DM Lu, TYS Mehlhorn, TL Pelletier, DA Hauser, LJ Wilson, CM Brown, SD AF Manga, Punita Klingeman, Dawn M. Lu, Tse-Yuan S. Mehlhorn, Tonia L. Pelletier, Dale A. Hauser, Loren J. Wilson, Charlotte M. Brown, Steven D. TI Replicates, Read Numbers, and Other Important Experimental Design Considerations for Microbial RNA-seq Identified Using Bacillus thuringiensis Datasets SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE replicates; DESeq2; negative binomial; Illumina; normalization; coverage ID DIFFERENTIAL EXPRESSION; SEQUENCING DATA; TRANSCRIPTOME ANALYSIS; REPRODUCIBILITY; RESISTANCE; EVOLUTION; STRAIN; ISSUES; POWER AB RNA-seq is being used increasingly for gene expression studies and it is revolutionizing the fields of genomics and transcriptomics. However, the field of RNA-seq analysis is still evolving. Therefore, we specifically designed this study to contain large numbers of reads and four biological replicates per condition so we could alter these parameters and assess their impact on differential expression results. Bacillus thuringiensis strains ATCC10792 and CT43 were grown in two Luria broth medium lots on four dates and transcriptomics data were generated using one lane of sequence output from an Illumina HiSeq2000 instrument for each of the 32 samples, which were then analyzed using DESeq2. Genome coverages across samples ranged from 87 to 465X with medium lots and culture dates identified as major variation sources. Significantly differentially expressed genes (5% FDR, two-fold change) were detected for cultures grown using different medium lots and between different dates. The highly differentially expressed iron acquisition and metabolism genes, were a likely consequence of differing amounts of iron in the two media lots. Indeed, in this study RNA-seq was a tool for predictive biology since we hypothesized and confirmed the two LB medium lots had different iron contents ( two-fold difference). This study shows that the noise in data can be controlled and minimized with appropriate experimental design and by having the appropriate number of replicates and reads for the system being studied. We outline parameters for an efficient and cost effective microbial transcriptomics study. C1 [Manga, Punita; Pelletier, Dale A.; Hauser, Loren J.; Brown, Steven D.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN USA. [Manga, Punita; Klingeman, Dawn M.; Wilson, Charlotte M.; Brown, Steven D.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. [Klingeman, Dawn M.; Lu, Tse-Yuan S.; Pelletier, Dale A.; Hauser, Loren J.; Wilson, Charlotte M.; Brown, Steven D.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Mehlhorn, Tonia L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA. RP Brown, SD (reprint author), Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN USA.; Brown, SD (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA.; Brown, SD (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. EM brownsd@ornl.gov RI Klingeman, Dawn/B-9415-2012 OI Klingeman, Dawn/0000-0002-4307-2560 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; BioEnergy Science Center (BESC); Office of Biological and Environmental Research in the DOE Office of Science; US Department of Energy [DE-AC05-00OR22725]; Department of Energy FX This work is sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory and used laboratories supported by the BioEnergy Science Center (BESC). BESC is a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. 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. 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). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 49 TC 0 Z9 0 U1 4 U2 12 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 31 PY 2016 VL 7 AR 794 DI 10.3389/fmicb.2016.00794 PG 12 WC Microbiology SC Microbiology GA DN0XN UT WOS:000376790500001 PM 27303383 ER PT J AU Willis, JD Mazarei, M Stewart, CN AF Willis, Jonathan D. Mazarei, Mitra Stewart, C. Neal, Jr. TI Transgenic Plant-Produced Hydrolytic Enzymes and the Potential of Insect Gut-Derived Hydrolases for Biofuels SO FRONTIERS IN PLANT SCIENCE LA English DT Review DE lignocellulosic; insect cellulase; cell wall degrading (CWD) enzyme; biofuel; hydrolase; gene expression; enzyme targeting ID ACIDOTHERMUS-CELLULOLYTICUS ENDOGLUCANASE; MULBERRY LONGICORN BEETLE; ACID-SEQUENCE SIMILARITIES; SITE-DIRECTED MUTAGENESIS; SOLANUM-TUBEROSUM L.; HETEROLOGOUS EXPRESSION; GLYCOSYL HYDROLASES; MOLECULAR-CLONING; BETA-GLUCOSIDASE; ENZYMATIC-ACTIVITY AB Various perennial C4 grass species have tremendous potential for use as lignocellulosic biofuel feedstocks. Currently available grasses require costly pre-treatment and exogenous hydrolytic enzyme application to break down complex cell wall polymers into sugars that can then be fermented into ethanol. It has long been hypothesized that engineered feedstock production of cell wall degrading (CWD) enzymes would be an efficient production platform for of exogenous hydrolytic enzymes. Most research has focused on plant overexpression of CWD enzyme-coding genes from free-living bacteria and fungi that naturally break down plant cell walls. Recently, it has been found that insect digestive tracts harbor novel sources of lignocellulolytic biocatalysts that might be exploited for biofuel production. These CWD enzyme genes can be located in the insect genomes or in symbiotic microbes. When CWD genes are transformed into plants, negative pleiotropic effects are possible such as unintended cell wall digestion. The use of codon optimization along with organelle and tissue specific targeting improves CWD enzyme yields. The literature teaches several important lessons on strategic deployment of CWD genes in transgenic plants, which is the focus of this review. C1 [Willis, Jonathan D.; Mazarei, Mitra; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. [Willis, Jonathan D.; Mazarei, Mitra; Stewart, C. Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN USA.; Stewart, CN (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. EM nealstewart@utk.edu FU BioEnergy Science Center [DE-PS02-06ER64304]; Office of Biological and Environmental Research in the DOE Office of Science; University of Tennessee; Ivan Racheff Endowment; USDA HATCH FX This work was supported by funding from the BioEnergy Science Center (DE-PS02-06ER64304). The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. We also thank the University of Tennessee, Ivan Racheff Endowment, and USDA HATCH funds for supporting the research program of CNS. NR 140 TC 1 Z9 1 U1 5 U2 13 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-462X J9 FRONT PLANT SCI JI Front. Plant Sci. PD MAY 31 PY 2016 VL 7 AR 675 DI 10.3389/fpls.2016.00675 PG 18 WC Plant Sciences SC Plant Sciences GA DN1VB UT WOS:000376852400001 PM 27303411 ER PT J AU Wang, Y Chen, KS AF Wang, Yun Chen, Ken S. TI Advanced control of liquid water region in diffusion media of polymer electrolyte fuel cells through a dimensionless number SO JOURNAL OF POWER SOURCES LA English DT Article DE Polymer electrolyte fuel cells; Phase change; Non-isothermal; Liquid water region; Dimensionless number ID 2-PHASE FLOW DYNAMICS; MODEL PREDICTIONS; DROPLET DYNAMICS; CHANNEL FORCES; TRANSPORT; CATHODE; MULTICOMPONENT; MANAGEMENT; GDL; DEFORMATION AB In the present work, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Analysis is performed on a dimensionless parameter Da(0) introduced in our previous paper [Y. Wang and K. S. Chen, Chemical Engineering Science 66 (2011) 3557-3567] and the parameter is further evaluated in a realistic fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da(0) number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness. Published by Elsevier B.V. C1 [Wang, Yun] Univ Calif Irvine, RERL, Irvine, CA 92697 USA. [Wang, Yun] Univ Calif Irvine, Dept Mech & Aerosp Engn, Natl Fuel Cell Res Ctr, Irvine, CA 92697 USA. [Chen, Ken S.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Wang, Y (reprint author), Univ Calif Irvine, RERL, Irvine, CA 92697 USA.; Wang, Y (reprint author), Univ Calif Irvine, Dept Mech & Aerosp Engn, Natl Fuel Cell Res Ctr, Irvine, CA 92697 USA. EM yunw@uci.edu FU Sandia National Laboratories (US Department of Energy's EERE Program and titled "Development and Validation of a Two-phase, Three-dimensional Model for PEM Fuel Cells"); United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding support of this work was provided by Sandia National Laboratories (through a fuel cell project funded by US Department of Energy's EERE Program and titled "Development and Validation of a Two-phase, Three-dimensional Model for PEM Fuel Cells"). 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 54 TC 0 Z9 0 U1 5 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAY 31 PY 2016 VL 315 BP 224 EP 235 DI 10.1016/j.jpowsour.2016.03.045 PG 12 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DK3IQ UT WOS:000374810700026 ER PT J AU Arsenyev, SA Temkin, RJ Haynes, WB Shchegolkov, DY Simakov, EI Tajima, T Boulware, CH Grimm, TL Rogacki, AR AF Arsenyev, Sergey A. Temkin, Richard J. Haynes, W. Brian Shchegolkov, Dmitry Yu. Simakov, Evgenya I. Tajima, Tsuyoshi Boulware, Chase H. Grimm, Terrence L. Rogacki, Adam R. TI Cryogenic testing of the 2.1 GHz five-cell superconducting RF cavity with a photonic band gap coupler cell SO APPLIED PHYSICS LETTERS LA English DT Article AB We present results from cryogenic tests of the multi-cell superconducting radio frequency (SRF) cavity with a photonic band gap (PBG) coupler cell. Achieving high average beam currents is particularly desirable for future light sources and particle colliders based on SRF energy-recovery-linacs (ERLs). Beam current in ERLs is limited by the beam break-up instability, caused by parasitic higher order modes (HOMs) interacting with the beam in accelerating cavities. A PBG cell incorporated in an accelerating cavity can reduce the negative effect of HOMs by providing a frequency selective damping mechanism, thus allowing significantly higher beam currents. The multi-cell cavity was designed and fabricated of niobium. Two cryogenic (vertical) tests were conducted. The high unloaded Q-factor was demonstrated at a temperature of 4.2K at accelerating gradients up to 3 MV/m. The measured value of the unloaded Q-factor was 1.55 x 10(8), in agreement with prediction. Published by AIP Publishing. C1 [Arsenyev, Sergey A.; Temkin, Richard J.] MIT, 77 Mass Ave, Cambridge, MA 02139 USA. [Haynes, W. Brian; Shchegolkov, Dmitry Yu.; Simakov, Evgenya I.; Tajima, Tsuyoshi] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Boulware, Chase H.; Grimm, Terrence L.; Rogacki, Adam R.] Niowave Inc, 1012 North Walnut St, Lansing, MI 48906 USA. RP Arsenyev, SA (reprint author), MIT, 77 Mass Ave, Cambridge, MA 02139 USA. EM arsenyev@mit.edu OI Tajima, Tsuyoshi/0000-0002-9547-0085; Shchegolkov, Dmitry/0000-0002-0721-3397; Simakov, Evgenya/0000-0002-7483-1152 FU DOE Office of Nuclear Physics SBIR [DE-SC0009523]; U.S. Department of Energy (DOE) Office of Science Early Career Research Program; DOE Office of High Energy Physics [DE-SC0010075] FX This work was supported by a DOE Office of Nuclear Physics SBIR, Grant No. DE-SC0009523, the U.S. Department of Energy (DOE) Office of Science Early Career Research Program, and the DOE Office of High Energy Physics, Grant No. DE-SC0010075. NR 23 TC 1 Z9 1 U1 1 U2 3 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 30 PY 2016 VL 108 IS 22 AR 222603 DI 10.1063/1.4953204 PG 5 WC Physics, Applied SC Physics GA DP3XE UT WOS:000378428400027 ER PT J AU Li, TT Aji, LBB Heo, TW Santala, MK Kucheyev, SO Campbell, GH AF Li, T. T. Aji, L. B. Bayu Heo, T. W. Santala, M. K. Kucheyev, S. O. Campbell, G. H. TI Effect of medium range order on pulsed laser crystallization of amorphous germanium thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID FLUCTUATION ELECTRON-MICROSCOPY; SILICON; RELAXATION AB Sputter deposited amorphous Ge thin films had their nanostructure altered by irradiation with high-energy Ar+ ions. The change in the structure resulted in a reduction in medium range order (MRO) characterized using fluctuation electron microscopy. The pulsed laser crystallization kinetics of the as-deposited versus irradiated materials were investigated using the dynamic transmission electron microscope operated in the multi-frame movie mode. The propagation rate of the crystallization front for the irradiated material was lower; the changes were correlated to the MRO difference and formation of a thin liquid layer during crystallization. Published by AIP Publishing. C1 [Li, T. T.; Aji, L. B. Bayu; Heo, T. W.; Kucheyev, S. O.; Campbell, G. H.] Lawrence Livermore Natl Lab, Div Mat Sci, 7000 East Ave, Livermore, CA 94551 USA. [Santala, M. K.] Oregon State Univ, Mech Ind & Mfg Engn, 204 Rogers Hall, Corvallis, OR 97331 USA. RP Li, TT (reprint author), Lawrence Livermore Natl Lab, Div Mat Sci, 7000 East Ave, Livermore, CA 94551 USA. EM li48@llnl.gov OI Li, Tian/0000-0003-2409-5799 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [SCW0974, DE-AC52-07NA27344]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under SCW0974 by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. The 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. T.T.L. would like to acknowledge Dr. Christoph Gammer at NCEM for the help on the FEM operation routine. Helpful discussions with Dr. R. E. Rudd, Dr. A. Samanta, and Dr. L. Nguyen (LLNL) are also acknowledged. NR 28 TC 1 Z9 1 U1 9 U2 16 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 30 PY 2016 VL 108 IS 22 AR 221906 DI 10.1063/1.4953153 PG 5 WC Physics, Applied SC Physics GA DP3XE UT WOS:000378428400018 ER PT J AU Wan, YT Li, Q Liu, AY Chow, WW Gossard, AC Bowers, JE Hu, EL Lau, KM AF Wan, Yating Li, Qiang Liu, Alan Y. Chow, Weng W. Gossard, Arthur C. Bowers, John E. Hu, Evelyn L. Lau, Kei May TI Sub-wavelength InAs quantum dot micro-disk lasers epitaxially grown on exact Si (001) substrates SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON AB Subwavelength micro-disk lasers (MDLs) as small as 1 mu m in diameter on exact (001) silicon were fabricated using colloidal lithography. The micro-cavity gain medium incorporating five-stacked InAs quantum dot layers was grown on a high crystalline quality GaAs-on-V-grooved-Si template with no absorptive intermediate buffers. Under continuous-wave optical pumping, the MDLs on silicon exhibit lasing in the 1.2-mu m wavelength range with low thresholds down to 35 mu W at 10K. The MDLs compare favorably with devices fabricated on native GaAs substrates and state-of-the-art work reported elsewhere. Feasibility of device miniaturization can be projected by size-dependent lasing characteristics. The results show a promising path towards dense integration of photonic components on the mainstream complementary metal-oxide-semiconductor platform. Published by AIP Publishing. C1 [Wan, Yating; Li, Qiang; Lau, Kei May] Hong Kong Univ Sci & Technol, Dept Elect & Comp Engn, Kowloon, Hong Kong, Peoples R China. [Liu, Alan Y.; Gossard, Arthur C.; Bowers, John E.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Chow, Weng W.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Gossard, Arthur C.; Bowers, John E.] Univ Calif Santa Barbara, Dept Elect & Comp Engn, Santa Barbara, CA 93106 USA. [Hu, Evelyn L.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Lau, KM (reprint author), Hong Kong Univ Sci & Technol, Dept Elect & Comp Engn, Kowloon, Hong Kong, Peoples R China. EM eekmlau@ust.hk OI Li, Qiang/0000-0001-6875-7403; Lau, Kei May/0000-0002-7713-1928 FU Research Grants Council of Hong Kong; DARPA (MTO EPHI); American Institute for Manufacturing (AIM) Integrated Photonics; U.S. Department of Energy NNSA [DE-AC04-94AL85000] FX This work was supported in part by Grants (Nos. 614813 and 16212115) from the Research Grants Council of Hong Kong, DARPA (MTO EPHI), and the American Institute for Manufacturing (AIM) Integrated Photonics, and the U.S. Department of Energy NNSA Contract No. DE-AC04-94AL85000. The authors would like to thank SUNY Poly for providing the initial nano-patterned Si substrates, Wuhan National Laboratory for Optoelectronics (WNLO) for providing facilities to perform optical measurements, and NFF and MCPF of HKUST for technical support. Helpful discussions with C. Zeng, Y. Geng, and B. Shi are also acknowledged. NR 26 TC 6 Z9 6 U1 2 U2 7 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 30 PY 2016 VL 108 IS 22 AR 221101 DI 10.1063/1.4952600 PG 5 WC Physics, Applied SC Physics GA DP3XE UT WOS:000378428400001 ER PT J AU Voronov, DL Salmassi, F Meyer-Ilse, J Gullikson, EM Warwick, T Padmore, HA AF Voronov, D. L. Salmassi, F. Meyer-Ilse, J. Gullikson, E. M. Warwick, T. Padmore, H. A. TI Refraction effects in soft x-ray multilayer blazed gratings SO OPTICS EXPRESS LA English DT Article ID COATED ECHELLE GRATINGS; REGION; DEMULTIPLEXER; SPECTROSCOPY; ENHANCEMENT; ULTRAVIOLET; EFFICIENCY AB A 2500 lines/mm Multilayer Blazed Grating (MBG) optimized for the soft x-ray wavelength range was fabricated and tested. The grating coated with a W/B4C multilayer demonstrated a record diffraction efficiency in the 2nd blazed diffraction order in the energy range from 500 to 1200 eV. Detailed investigation of the diffraction properties of the grating demonstrated that the diffraction efficiency of high groove density MBGs is not limited by the normal shadowing effects that limits grazing incidence x-ray grating performance. Refraction effects inherent in asymmetrical Bragg diffraction were experimentally confirmed for MBGs. The refraction affects the blazing properties of the MBGs and results in a shift of the resonance wavelength of the gratings and broadening or narrowing of the grating bandwidth depending on diffraction geometry. The true blaze angle of the MBGs is defined by both the real structure of the multilayer stack and by asymmetrical refraction effects. Refraction effects can be used as a powerful tool in providing highly efficient suppression of high order harmonics. (C) 2016 Optical Society of America C1 [Voronov, D. L.; Salmassi, F.; Meyer-Ilse, J.; Gullikson, E. M.; Warwick, T.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Voronov, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM dlvoronov@lbl.gov FU United States Government; Office of Science, Office of Basic Energy Sciences, of U.S. Department of Energy [DE-AC02-05CH11231] FX This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States 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 United States 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 United States Government or any agency thereof or The Regents of the University of California.; Advanced Light Source and Molecular Foundry 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 18 TC 3 Z9 3 U1 4 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 30 PY 2016 VL 24 IS 11 BP 1334 EP 1344 DI 10.1364/OE.24.011334 PG 11 WC Optics SC Optics GA DO0KM UT WOS:000377467800006 PM 27410064 ER PT J AU Akbarzadeh, A Koschny, T Kafesaki, M Economou, EN Soukoulis, CM AF Akbarzadeh, Alireza Koschny, Thomas Kafesaki, Maria Economou, Eleftherios N. Soukoulis, Costas M. TI Graded-index optical dimer formed by optical force SO OPTICS EXPRESS LA English DT Article ID CAVITY OPTOMECHANICS; RADIATION PRESSURE; MOMENTUM; PARTICLES; MEDIA; LIGHT; BEAM; WAVE AB We propose an optical dimer formed from two spherical lenses bound by the pressure that light exerts on matter. With the help of the method of force tracing, we find the required graded-index profiles of the lenses for the existence of the dimer. We study the dynamics of the opto-mechanical interaction of lenses under the illumination of collimated light beams and quantitatively validate the performance of proposed dimer. We also examine the stability of dimer due to the lateral misalignments and we show how restoring forces bring the dimer into lateral equilibrium. The dimer can be employed in various practical applications such as optical manipulation, sensing and imaging. (C) 2016 Optical Society of America C1 [Akbarzadeh, Alireza; Kafesaki, Maria; Economou, Eleftherios N.; Soukoulis, Costas M.] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece. [Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kafesaki, Maria] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Greece. RP Akbarzadeh, A (reprint author), Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece. EM alireza.akbarzadeh@iesl.forth.gr RI Soukoulis, Costas/A-5295-2008; Kafesaki, Maria/E-6843-2012; Economou, Eleftherios /E-6374-2010 OI Kafesaki, Maria/0000-0002-9524-2576; FU European Research Council (PHOTOMETA) [320081]; U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX Work at FORTH was supported by the European Research Council under ERC Advanced Grant No. 320081 (PHOTOMETA). Work at Ames Laboratory was partially supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, Contract No. DE-AC02-07CH11358. NR 35 TC 0 Z9 0 U1 3 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 30 PY 2016 VL 24 IS 11 BP 1376 EP 1386 DI 10.1364/OE.24.011376 PG 11 WC Optics SC Optics GA DO0KM UT WOS:000377467800008 PM 27410066 ER PT J AU Lai, CW Schwab, M Hill, SC Santarpia, J Pan, YL AF Lai, Chih Wei Schwab, Mark Hill, Steven C. Santarpia, Joshua Pan, Yong-Le TI Raman scattering and red fluorescence in the photochemical transformation of dry tryptophan particles SO OPTICS EXPRESS LA English DT Article ID AROMATIC-AMINO-ACIDS; EXCITED-STATE CHEMISTRY; AIRBORNE BIOLOGICAL PARTICLES; PROTEIN SECONDARY STRUCTURE; EXCITATION PROFILES; SIDE-CHAINS; TYROSINE; SPECTROSCOPY; PEPTIDES; SPECTRA AB Tryptophan is a fluorescent amino acid common in proteins. Its absorption is largest for wavelengths lambda less than or similar to 290 nm and its fluorescence emissions peak around 300-350 nm, depending upon the local environment. Here we report the observation of red fluorescence near 600 nm emerging from 488-nm continuous-wave (CW) laser photoexcitation of dry tryptophan (Trp) particles. With an excitation intensity below 0.5 kW/cm(2), dry Trp particles yield distinctive Raman scattering peaks in the presence of relatively weak and spectrally broad emissions with lambda similar to 500-700 nm, allowing estimation of particle temperature at low excitation intensities. When the photoexcitation intensity is increased to 1 kW/cm(2) or more for a few minutes, fluorescence intensity dramatically increases by more than two orders of magnitude. The fluorescence continues to increase in intensity and gradually shift to the red when photoexcitation intensity and the duration of exposure are increased. The resulting products absorb at visible wavelengths and generate red fluorescence with lambda similar to 650-800 nm with 633-nm CW laser excitation. We attribute the emergence of orange and red fluorescence in the Trp products to a photochemical transformation that is instigated by weak optical transitions to triplet states in Trp with 488-nm excitation and which may be expedited by a photothermal effect. (C) 2016 Optical Society of America C1 [Lai, Chih Wei; Schwab, Mark; Hill, Steven C.; Pan, Yong-Le] US Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA. [Lai, Chih Wei] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Santarpia, Joshua] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Lai, CW (reprint author), US Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA.; Lai, CW (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM cwlai@msu.edu RI Lai, Chih Wei/E-4945-2010 OI Lai, Chih Wei/0000-0003-3571-4671 FU Defense Threat Reduction Agency (DTRA) [HDTRS1518237, HDTRA1619734]; U.S. Army Research Laboratory (ARL) mission funds; National Science Foundation (NSF) under NSF grant [DMR-0955944]; Army Research Laboratory [W911NF-12-2-0019] FX We thank Shouwen Hu for technical support. This work was supported by the Defense Threat Reduction Agency (DTRA) under HDTRS1518237 and HDTRA1619734 as well as the U.S. Army Research Laboratory (ARL) mission funds. Research conducted by C.W.L. was partly sponsored by the National Science Foundation (NSF) under the NSF grant DMR-0955944. Research was sponsored by the Army Research Laboratory and was accomplished under Cooperative Agreement Number W911NF-12-2-0019. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Army Research Laboratory or the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation herein. NR 46 TC 0 Z9 0 U1 6 U2 12 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 30 PY 2016 VL 24 IS 11 BP 1654 EP 1667 DI 10.1364/OE.24.011654 PG 14 WC Optics SC Optics GA DO0KM UT WOS:000377467800033 PM 27410091 ER PT J AU Niederwerder, MC Jaing, CJ Thissen, JB Cino-Ozuna, AG McLoughlin, KS Rowland, RRR AF Niederwerder, Megan C. Jaing, Crystal J. Thissen, James B. Cino-Ozuna, Ada Giselle McLoughlin, Kevin S. Rowland, Raymond R. R. TI Microbiome associations in pigs with the best and worst clinical outcomes following co-infection with porcine reproductive and respiratory syndrome virus (PRRSV) and porcine circovirus type 2 (PCV2) SO VETERINARY MICROBIOLOGY LA English DT Article DE Swine; Microbiome; Porcine reproductive and respiratory syndrome virus; Porcine circovirus type 2; Clinical outcome; Virus load ID GUT MICROBIOTA; WEIGHT-GAIN; SWINE GUT; DISEASE; PATHOGENESIS; VACCINATION; INFECTIONS; PARAMETERS; CHALLENGE; TRACT AB On a world-wide basis, co-infections involving porcine reproductive and respiratory syndrome virus (PRRSV) and porcine circovirus type 2 (PCV2) are common and contribute to a range of polymicrobial disease syndromes in swine. Both viruses compromise host defenses, resulting in increased susceptibility to infections by primary and secondary pathogens that can affect growth performance as well as increased morbidity and mortality. An experimental population of 95 pigs was co-infected with PRRSV and PCV2. At 70 days post-infection (dpi), 20 representative pigs were selected as having the best or worst clinical outcome based on average daily gain (ADG) and the presence of clinical disease. Worst clinical outcome pigs had prolonged and greater levels of viremia as measured by qPCR. Serum, lung and fecal samples collected at 70 dpi were analyzed using a comprehensive DNA microarray technology, the Lawrence Livermore Microbial Detection Array, to detect over 8000 microbes. Bacterial species, such as Bacillus cereus, were detected at a higher rate in the serum of worst performing pigs. At the level of the fecal microbiome, the overall microbial diversity was lower in the worst clinical outcome group. The results reinforce the importance of pathogen load in determining clinical outcome and suggest an important role of microbial diversity as a contributing factor in disease. (C) 2016 Elsevier B.V. All rights reserved. C1 [Niederwerder, Megan C.; Cino-Ozuna, Ada Giselle; Rowland, Raymond R. R.] Kansas State Univ, Coll Vet Med, Dept Diagnost Med Pathobiol, 1800 Denison Ave, Manhattan, KS 66506 USA. [Niederwerder, Megan C.; Cino-Ozuna, Ada Giselle] Kansas State Univ, Kansas State Vet Diagnost Lab, 1800 Denison Ave, Manhattan, KS 66506 USA. [Jaing, Crystal J.; Thissen, James B.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. [McLoughlin, Kevin S.] Lawrence Livermore Natl Lab, Computat Directorate, 7000 East Ave, Livermore, CA 94550 USA. RP Niederwerder, MC (reprint author), Kansas State Univ, Coll Vet Med, Dept Diagnost Med Pathobiol, 1800 Denison Ave, Manhattan, KS 66506 USA.; Niederwerder, MC (reprint author), Kansas State Univ, Kansas State Vet Diagnost Lab, 1800 Denison Ave, Manhattan, KS 66506 USA. EM mniederwerder@vet.k-state.edu FU USDA NIFA Award [2013-68004-20362]; State of Kansas National Bio and Agro-Defense Facility Fund; Lawrence Livermore National Laboratory Derived Research and Development effort [14ERD081] FX This work was supported by the USDA NIFA Award #2013-68004-20362, the State of Kansas National Bio and Agro-Defense Facility Fund, and by the Lawrence Livermore National Laboratory Derived Research and Development effort (14ERD081). NR 35 TC 0 Z9 0 U1 3 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1135 EI 1873-2542 J9 VET MICROBIOL JI Vet. Microbiol. PD MAY 30 PY 2016 VL 188 BP 1 EP 11 DI 10.1016/j.vetmic.2016.03.008 PG 11 WC Microbiology; Veterinary Sciences SC Microbiology; Veterinary Sciences GA DM7MR UT WOS:000376545200001 PM 27139023 ER PT J AU Hasegawa, H Kitamura, N Saito, Y Nagai, T Shinohara, I Yokota, S Pollock, CJ Giles, BL Dorelli, JC Gershman, DJ Avanov, LA Kreisler, S Paterson, WR Chandler, MO Coffey, V Burch, JL Torbert, RB Moore, TE Russell, CT Strangeway, RJ Le, G Oka, M Phan, TD Lavraud, B Zenitani, S Hesse, M AF Hasegawa, H. Kitamura, N. Saito, Y. Nagai, T. Shinohara, I. Yokota, S. Pollock, C. J. Giles, B. L. Dorelli, J. C. Gershman, D. J. Avanov, L. A. Kreisler, S. Paterson, W. R. Chandler, M. O. Coffey, V. Burch, J. L. Torbert, R. B. Moore, T. E. Russell, C. T. Strangeway, R. J. Le, G. Oka, M. Phan, T. D. Lavraud, B. Zenitani, S. Hesse, M. TI Decay of mesoscale flux transfer events during quasi-continuous spatially extended reconnection at the magnetopause SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID INTERPLANETARY MAGNETIC-FIELD; EARTHS MAGNETOPAUSE; REGION; ROPES AB We present observations on 2 October 2015 when the Geotail spacecraft, near the Earth's equatorial plane, and the Magnetospheric Multiscale (MMS) spacecraft, at midsouthern latitudes, simultaneously encountered southward jets from dayside magnetopause reconnection under southward interplanetary magnetic field conditions. The observations show that the equatorial reconnection site under modest solar wind Alfven Mach number conditions remained active almost continuously for hours and, at the same time, extended over a wide range of local times (>= 4 h). The reconnection jets expanded toward the magnetosphere with distance from the reconnection site. Geotail, closer to the reconnection site, occasionally encountered large-amplitude mesoscale flux transfer events (FTEs) with durations about or less than 1min. However, MMS subsequently detected no or only smaller-amplitude corresponding FTE signatures. It is suggested that during quasi-continuous spatially extended reconnection, mesoscale FTEs decay as the jet spatially evolves over distances between the two spacecraft of >= 350 ion inertial lengths. C1 [Hasegawa, H.; Kitamura, N.; Saito, Y.; Shinohara, I.; Yokota, S.] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2298510, Japan. [Nagai, T.] Tokyo Inst Technol, Tokyo 152, Japan. [Pollock, C. J.; Giles, B. L.; Dorelli, J. C.; Gershman, D. J.; Avanov, L. A.; Kreisler, S.; Paterson, W. R.; Moore, T. E.; Le, G.; Hesse, M.] NASA, Goddard Space Flight Ctr, Greenbelt, MD USA. [Pollock, C. J.] Denali Sci, Healy, AK USA. [Gershman, D. J.] Oak Ridge Associated Univ, Washington, DC USA. [Chandler, M. O.; Coffey, V.] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Burch, J. L.] SW Res Inst, San Antonio, TX USA. [Torbert, R. B.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [Russell, C. T.; Strangeway, R. J.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA USA. [Oka, M.; Phan, T. D.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Lavraud, B.] Univ Toulouse, Inst Rech Astrophys & Planetol, Toulouse, France. [Lavraud, B.] CNRS, Toulouse, France. [Zenitani, S.] Natl Astron Observ Japan, 2-21-1 Osawa, Mitaka, Tokyo, Japan. RP Hasegawa, H (reprint author), Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2298510, Japan. EM hase@stp.isas.jaxa.jp RI Hasegawa, Hiroshi/A-1192-2007; Le, Guan/C-9524-2012; NASA MMS, Science Team/J-5393-2013; Zenitani, Seiji/D-7988-2013 OI Hasegawa, Hiroshi/0000-0002-1172-021X; Le, Guan/0000-0002-9504-5214; NASA MMS, Science Team/0000-0002-9504-5214; Zenitani, Seiji/0000-0002-0945-1815 FU JSPS [15K05306] FX The Geotail data are available from DARTS: https://darts.isas.jaxa.jp/stp/geotail/, Wind data are from CDAWeb, and MMS data are available from the MMS Science Data Center: https://lasp.colorado.edu/mms/sdc/. We used the FPI data v2.1.0 and FGM data v4.18.0. IRAP contribution to MMS was supported by CNES. The work by H.H. was supported by JSPS Grant-in-Aid for Scientific Research KAKENHI 15K05306. NR 37 TC 4 Z9 4 U1 2 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2016 VL 43 IS 10 BP 4755 EP 4762 DI 10.1002/2016GL069225 PG 8 WC Geosciences, Multidisciplinary SC Geology GA DP2UC UT WOS:000378347500011 ER EF