FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Berkery, JW Liu, YQ Wang, ZR Sabbagh, SA Logan, NC Park, JK Manickam, J Betti, R AF Berkery, J. W. Liu, Y. Q. Wang, Z. R. Sabbagh, S. A. Logan, N. C. Park, J-K Manickam, J. Betti, R. TI Benchmarking kinetic calculations of resistive wall mode stability SO PHYSICS OF PLASMAS LA English DT Article ID HIGH-BETA PLASMAS; ENERGY PRINCIPLE; MAGNETOHYDRODYNAMIC MODES; STABILIZATION; TOKAMAKS; PHYSICS; NSTX; ROTATION AB Validating the calculations of kinetic resistive wall mode (RWM) stability is important for confidently predicting RWM stable operating regions in ITER and other high performance tokamaks for disruption avoidance. Benchmarking the calculations of the Magnetohydrodynamic Resistive Spectrum-Kinetic (MARS-K) [Y. Liu et al., Phys. Plasmas 15, 112503 (2008)], Modification to Ideal Stability by Kinetic effects (MISK) [B. Hu et al., Phys. Plasmas 12, 057301 (2005)], and Perturbed Equilibrium Nonambipolar Transport (PENT) [N. Logan et al., Phys. Plasmas 20, 122507 (2013)] codes for two Solov'ev analytical equilibria and a projected ITER equilibrium has demonstrated good agreement between the codes. The important particle frequencies, the frequency resonance energy integral in which they are used, the marginally stable eigenfunctions, perturbed Lagrangians, and fluid growth rates are all generally consistent between the codes. The most important kinetic effect at low rotation is the resonance between the mode rotation and the trapped thermal particle's precession drift, and MARS- K, MISK, and PENT show good agreement in this term. The different ways the rational surface contribution was treated historically in the codes is identified as a source of disagreement in the bounce and transit resonance terms at higher plasma rotation. Calculations from all of the codes support the present understanding that RWM stability can be increased by kinetic effects at low rotation through precession drift resonance and at high rotation by bounce and transit resonances, while intermediate rotation can remain susceptible to instability. The applicability of benchmarked kinetic stability calculations to experimental results is demonstrated by the prediction of MISK calculations of near marginal growth rates for experimental marginal stability points from the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)]. (C) 2014 AIP Publishing LLC. C1 [Berkery, J. W.; Sabbagh, S. A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Liu, Y. Q.] Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Wang, Z. R.; Logan, N. C.; Park, J-K; Manickam, J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Betti, R.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Berkery, JW (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. FU U.S. Department of Energy [DE-FG02-99ER54524, DE-AC02-09CH11466, DE-FG02-93ER54215]; Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF) [DE-AC05-06OR23100]; RCUK Energy Programme [EP/I501045]; European Communities FX This paper was based upon a report made to the International Tokamak Physics Activity (ITPA). This research was supported by the U.S. Department of Energy under Contract Nos.: DE-FG02-99ER54524 (Columbia University), DE-AC02-09CH11466 (Princeton Plasma Physics Laboratory), and DE-FG02-93ER54215 (University of Rochester). It was also supported in part by the Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF), made possible in part by the American Recovery and Reinvestment Act of 2009, administered by ORISE-ORAU under Contract No. DE-AC05-06OR23100.; Additionally, this work was part-funded by the RCUK Energy Programme under Grant No. EP/I501045 and the European Communities under the contract of Association between EURATOM and CCFE. To obtain further information on the data and models underlying this paper, please contact PublicationsManager@ccfe.ac.uk. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 70 TC 17 Z9 17 U1 2 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 052505 DI 10.1063/1.4873894 PG 17 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200033 ER PT J AU Berkery, JW Sabbagh, SA Balbaky, A Bell, RE Betti, R Diallo, A Gerhardt, SP LeBlanc, BP Manickam, J Menard, JE Podesta, M AF Berkery, J. W. Sabbagh, S. A. Balbaky, A. Bell, R. E. Betti, R. Diallo, A. Gerhardt, S. P. LeBlanc, B. P. Manickam, J. Menard, J. E. Podesta, M. TI Measured improvement of global magnetohydrodynamic mode stability at high-beta, and in reduced collisionality spherical torus plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID RESISTIVE WALL MODES; 2ND REGION; STABILIZATION; ROTATION AB Global mode stability is studied in high-beta National Spherical Torus Experiment (NSTX) plasmas to avoid disruptions. Dedicated experiments in NSTX using low frequency active magnetohydrodynamic spectroscopy of applied rotating n = 1 magnetic fields revealed key dependencies of stability on plasma parameters. Observations from previous NSTX resistive wall mode (RWM) active control experiments and the wider NSTX disruption database indicated that the highest beta(N) plasmas were not the least stable. Significantly, here, stability was measured to increase at beta(N)/l(i) higher than the point where disruptions were found. This favorable behavior is shown to correlate with kinetic stability rotational resonances, and an experimentally determined range of measured E x B frequency with improved stability is identified. Stable plasmas appear to benefit further from reduced collisionality, in agreement with expectation from kinetic RWM stabilization theory, but low collisionality plasmas are also susceptible to sudden instability when kinetic profiles change. (C) 2014 AIP Publishing LLC. C1 [Berkery, J. W.; Sabbagh, S. A.; Balbaky, A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Bell, R. E.; Diallo, A.; Gerhardt, S. P.; LeBlanc, B. P.; Manickam, J.; Menard, J. E.; Podesta, M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Betti, R.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Berkery, JW (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. OI Menard, Jonathan/0000-0003-1292-3286 FU U.S. Department of Energy [DE-FG02-99ER54524, DE-AC02-09CH11466] FX This research was supported by the U.S. Department of Energy under Contract Nos. DE-FG02-99ER54524 and DE-AC02-09CH11466. NR 29 TC 5 Z9 5 U1 2 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056112 DI 10.1063/1.4876610 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200108 ER PT J AU Bowden, GW Konies, A Hole, MJ Gorelenkov, NN Dennis, GR AF Bowden, G. W. Koenies, A. Hole, M. J. Gorelenkov, N. N. Dennis, G. R. TI Comparison of methods for numerical calculation of continuum damping SO PHYSICS OF PLASMAS LA English DT Article ID AXISYMMETRICAL TOROIDAL PLASMAS; SHEAR-ALFVEN EIGENMODES; WAVES; EXCITATION; TOKAMAKS AB Continuum resonance damping is an important factor in determining the stability of certain global modes in fusion plasmas. A number of analytic and numerical approaches have been developed to compute this damping, particularly, in the case of the toroidicity-induced shear Alfven eigenmode. This paper compares results obtained using an analytical perturbative approach with those found using resistive and complex contour numerical approaches. It is found that the perturbative method does not provide accurate agreement with reliable numerical methods for the range of parameters examined. This discrepancy exists even in the limit where damping approaches zero. When the perturbative technique is implemented using a standard finite element method, the damping estimate fails to converge with radial grid resolution. The finite elements used cannot accurately represent the eigenmode in the region of the continuum resonance, regardless of the number of radial grid points used. (C) 2014 AIP Publishing LLC. C1 [Bowden, G. W.; Hole, M. J.; Dennis, G. R.] Australian Natl Univ, Res Sch Phys Sci & Engn, Acton, ACT 0200, Australia. [Koenies, A.] EURATOM, Max Planck Inst Plasmaphys, D-17491 Greifswald, Germany. [Gorelenkov, N. N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Bowden, GW (reprint author), Australian Natl Univ, Res Sch Phys Sci & Engn, Acton, ACT 0200, Australia. FU Australian Research Council [FT0991899, DP110102881]; German Academic Exchange Service (DAAD) [50153864] FX The authors gratefully acknowledge support of the Australian Research Council, through Grant Nos. FT0991899 and DP110102881 and support from the German Academic Exchange Service (DAAD) Project No. 50153864. We would also like to acknowledge the technical assistance provided by Dr. B. Seiwald. NR 19 TC 4 Z9 4 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 052508 DI 10.1063/1.4879802 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200036 ER PT J AU Daughton, W Nakamura, TKM Karimabadi, H Roytershteyn, V Loring, B AF Daughton, W. Nakamura, T. K. M. Karimabadi, H. Roytershteyn, V. Loring, B. TI Computing the reconnection rate in turbulent kinetic layers by using electron mixing to identify topology SO PHYSICS OF PLASMAS LA English DT Article ID KELVIN-HELMHOLTZ VORTICES; MAGNETIC RECONNECTION; SOLAR CORONA; FIELDS; TRANSPORT; DYNAMICS; HELICITY; BOUNDARY; WIND; LINE AB Three-dimensional kinetic simulations of magnetic reconnection for parameter regimes relevant to the magnetopause current layer feature the development of turbulence, driven by the magnetic and velocity shear, and dominated by coherent structures including flux ropes, current sheets, and flow vortices. Here, we propose a new approach for computing the global reconnection rate in the presence of this complexity. The mixing of electrons originating from separate sides of the magnetopause layer is used as a proxy to rapidly identify the magnetic topology and track the evolution of magnetic flux. The details of this method are illustrated for an asymmetric current layer relevant to the subsolar magnetopause and for a flow shear dominated layer relevant to the lower latitude magnetopause. While the three-dimensional reconnection rates show a number of interesting differences relative to the corresponding two-dimensional simulations, the time scale for the energy conversion remains very similar. These results suggest that the mixing of field lines between topologies is more easily influenced by kinetic turbulence than the physics responsible for the energy conversion. (C) 2014 AIP Publishing LLC. C1 [Daughton, W.; Nakamura, T. K. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Karimabadi, H.] UCSD, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Karimabadi, H.; Roytershteyn, V.] SciberQuest Inc, Del Mar, CA 92014 USA. [Loring, B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Daughton, W (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Daughton, William/L-9661-2013; OI Roytershteyn, Vadim/0000-0003-1745-7587 FU NASA [NNX12AD30G]; NSF [0904734, 1104815, 1202152]; DOE [DE-SC0004662]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX We are grateful for support from NASA (NNX12AD30G, Heliophysics Theory and Geospace Science), from NSF (Nos. 0904734, 1104815, and 1202152), and DOE (DE-SC0004662). 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. Additional analysis was performed using resources from the Los Alamos Institutional Computing Program. We would like to acknowledge useful discussions with J. D. Scudder, V. S. Titov, A. Boozer, J. Dorelli and M. Hesse. NR 59 TC 25 Z9 25 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 052307 DI 10.1063/1.4875730 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200023 ER PT J AU Di Stefano, CA Malamud, G de Frahan, MTH Kuranz, CC Shimony, A Klein, SR Drake, RP Johnsen, E Shvarts, D Smalyuk, VA Martinez, D AF Di Stefano, C. A. Malamud, G. de Frahan, M. T. Henry Kuranz, C. C. Shimony, A. Klein, S. R. Drake, R. P. Johnsen, E. Shvarts, D. Smalyuk, V. A. Martinez, D. TI Observation and modeling of mixing-layer development in high-energy-density, blast-wave-driven shear flow SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID KELVIN-HELMHOLTZ INSTABILITY; OMEGA-EP; TAYLOR; DESIGN; FLUIDS AB In this work, we examine the hydrodynamics of high-energy-density (HED) shear flows. Experiments, consisting of two materials of differing density, use the OMEGA-60 laser to drive a blast wave at a pressure of similar to 50 Mbar into one of the media, creating a shear flow in the resulting shocked system. The interface between the two materials is Kelvin-Helmholtz unstable, and a mixing layer of growing width develops due to the shear. To theoretically analyze the instability's behavior, we rely on two sources of information. First, the interface spectrum is well-characterized, which allows us to identify how the shock front and the subsequent shear in the post-shock flow interact with the interface. These observations provide direct evidence that vortex merger dominates the evolution of the interface structure. Second, simulations calibrated to the experiment allow us to estimate the time-dependent evolution of the deposition of vorticity at the interface. The overall result is that we are able to choose a hydrodynamic model for the system, and consequently examine how well the flow in this HED system corresponds to a classical hydrodynamic description. (C) 2014 AIP Publishing LLC. C1 [Di Stefano, C. A.; Malamud, G.; Kuranz, C. C.; Klein, S. R.; Drake, R. P.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Malamud, G.; Shimony, A.; Shvarts, D.] Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. [de Frahan, M. T. Henry; Johnsen, E.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Shimony, A.; Shvarts, D.] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. [Smalyuk, V. A.; Martinez, D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Di Stefano, CA (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. EM carlosds@umich.edu RI Drake, R Paul/I-9218-2012; OI Drake, R Paul/0000-0002-5450-9844; Di Stefano, Carlos/0000-0001-6166-3519; Henry de Frahan, Marc/0000-0001-7742-1565 FU NNSA-DS [DE-NA0001840]; SC-OFES [DE-NA0001840]; National Laser User Facility Program [DE-NA0000850]; Predictive Sciences Academic Alliances Program in NNSA-ASC [DEFC52-08NA28616] FX This work was funded by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, Grant No. DE-NA0001840, by the National Laser User Facility Program, Grant No. DE-NA0000850, and by the Predictive Sciences Academic Alliances Program in NNSA-ASC via grant DEFC52-08NA28616. NR 29 TC 6 Z9 6 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056306 DI 10.1063/1.4872223 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200115 ER PT J AU Dimits, AM Joseph, I Umansky, MV AF Dimits, A. M. Joseph, I. Umansky, M. V. TI A fast non-Fourier method for Landau-fluid operators SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID EQUATIONS; MODELS; TURBULENCE; TRANSPORT AB An efficient and versatile non-Fourier method for the computation of Landau-fluid (LF) closure operators [Hammett and Perkins, Phys. Rev. Lett. 64, 3019 (1990)] is presented, based on an approximation by a sum of modified-Helmholtz-equation solves (SMHS) in configuration space. This method can yield fast-Fourier-like scaling of the computational time requirements and also provides a very compact data representation of these operators, even for plasmas with large spatial nonuniformity. As a result, the method can give significant savings compared with direct application of "delocalization kernels" [e.g., Schurtz et al., Phys. Plasmas 7, 4238 (2000)], both in terms of computational cost and memory requirements. The method is of interest for the implementation of Landau-fluid models in situations where the spatial nonuniformity, particular geometry, or boundary conditions render a Fourier implementation difficult or impossible. Systematic procedures have been developed to optimize the resulting operators for accuracy and computational cost. The four-moment Landau-fluid model of Hammett and Perkins has been implemented in the BOUT++ code using the SMHS method for LF closure. Excellent agreement has been obtained for the one-dimensional plasma density response function between driven initial-value calculations using this BOUT++ implementation and matrix eigenvalue calculations using both Fourier and SMHS non-Fourier implementations of the LF closures. The SMHS method also forms the basis for the implementation, which has been carried out in the BOUT++ code, of the parallel and toroidal drift-resonance LF closures. The method is a key enabling tool for the extension of gyro-Landau-fluid models [e.g., Beer and Hammett, Phys. Plasmas 3, 4046 (1996)] to codes that treat regions with strong profile variation, such as the tokamak edge and scrapeoff-layer. (C) 2014 AIP Publishing LLC. C1 [Dimits, A. M.; Joseph, I.; Umansky, M. V.] Lawrence Livermore Natl Lab, Livermore, CA 94511 USA. RP Dimits, AM (reprint author), Lawrence Livermore Natl Lab, L-637,POB 808, Livermore, CA 94511 USA. EM dimits1@llnl.gov FU U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; LLNL LDRD Project [12-ERD-022]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was performed for U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344 and LLNL LDRD Project 12-ERD-022. The timing runs shown in Fig. 3 were performed on the Edison computer at NERSC, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We wish to acknowledge a careful reading of the manuscript and thoughtful comments by the referee. It is also a pleasure to acknowledge fruitful discussions with S. S. Kim, P. W. Xi, X. Q. Xu, G. W. Hammett, D. Del-Castillo-Negrete, and E. Held. NR 18 TC 9 Z9 9 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055907 DI 10.1063/1.4876617 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200097 ER PT J AU Falk, K Collins, LA Gamboa, EJ Kagan, G Kress, JD Montgomery, DS Srinivasan, B Tzeferacos, P Benage, JF AF Falk, K. Collins, L. A. Gamboa, E. J. Kagan, G. Kress, J. D. Montgomery, D. S. Srinivasan, B. Tzeferacos, P. Benage, J. F. TI Combined x-ray scattering, radiography, and velocity interferometry/streaked optical pyrometry measurements of warm dense carbon using a novel technique of shock-and-release SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID AUGMENTED-WAVE METHOD; EQUATION-OF-STATE; MOLECULAR-DYNAMICS; THOMSON SCATTERING; LIQUID DEUTERIUM; PLASMAS; MATTER; CODE; SIMULATIONS; PERFORMANCE AB This work focused on a new application of the shock-and-release technique for equation of state (EOS) measurements. Warm dense matter states at near normal solid density and at temperatures close to 10 eV in diamond and graphite samples were created using a deep release from a laser-driven shock at the OMEGA laser facility. Independent temperature, density, and pressure measurements that do not depend on any theoretical models or simulations were obtained using imaging x-ray Thomson scattering, radiography, velocity interferometry, and streaked optical pyrometry. The experimental results were reproduced by the 2-D FLASH radiation hydrodynamics simulations finding a good agreement. The final EOS measurement was then compared with widely used SESAME EOS models as well as quantum molecular dynamics simulation results for carbon, which were very consistent with the experimental data. (C) 2014 AIP Publishing LLC. C1 [Falk, K.; Collins, L. A.; Kagan, G.; Kress, J. D.; Montgomery, D. S.; Srinivasan, B.; Benage, J. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gamboa, E. J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Gamboa, E. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Tzeferacos, P.] Univ Chicago, Flash Ctr Computat Sci, Chicago, IL 60637 USA. [Benage, J. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Falk, K (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Falk, Katerina/D-2369-2017 OI Falk, Katerina/0000-0001-5975-776X FU US DOE/NNSA [DE-AC52-06NA25396] FX The authors would like to acknowledge the hard work of the LANL Target Fabrication Group, P. A. Keiter, and S. R. Klein from U. of Michigan for their work on the IXTS, D. Lamb for help with the FLASH code and OMEGA Experimental Team. This research was supported by the US DOE/NNSA under Contract No. DE-AC52-06NA25396. The software used in this work was developed in part by the DOE NNSA ASC-and DOE Office of Science ASCR-supported Flash Center for Computational Science at the University of Chicago. NR 84 TC 2 Z9 2 U1 2 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056309 DI 10.1063/1.4876613 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200118 ER PT J AU Goncharov, VN Sangster, TC Betti, R Boehly, TR Bonino, MJ Collins, TJB Craxton, RS Delettrez, JA Edgell, DH Epstein, R Follett, RK Forrest, CJ Froula, DH Glebov, VY Harding, DR Henchen, RJ Hu, SX Igumenshchev, IV Janezic, R Kelly, JH Kessler, TJ Kosc, TZ Loucks, SJ Marozas, JA Marshall, FJ Maximov, AV McCrory, RL McKenty, PW Meyerhofer, DD Michel, DT Myatt, JF Nora, R Radha, PB Regan, SP Seka, W Shmayda, WT Short, RW Shvydky, A Skupsky, S Stoeckl, C Yaakobi, B Frenje, JA Gatu-Johnson, M Petrasso, RD Casey, DT AF Goncharov, V. N. Sangster, T. C. Betti, R. Boehly, T. R. Bonino, M. J. Collins, T. J. B. Craxton, R. S. Delettrez, J. A. Edgell, D. H. Epstein, R. Follett, R. K. Forrest, C. J. Froula, D. H. Glebov, V. Yu Harding, D. R. Henchen, R. J. Hu, S. X. Igumenshchev, I. V. Janezic, R. Kelly, J. H. Kessler, T. J. Kosc, T. Z. Loucks, S. J. Marozas, J. A. Marshall, F. J. Maximov, A. V. McCrory, R. L. McKenty, P. W. Meyerhofer, D. D. Michel, D. T. Myatt, J. F. Nora, R. Radha, P. B. Regan, S. P. Seka, W. Shmayda, W. T. Short, R. W. Shvydky, A. Skupsky, S. Stoeckl, C. Yaakobi, B. Frenje, J. A. Gatu-Johnson, M. Petrasso, R. D. Casey, D. T. TI Improving the hot-spot pressure and demonstrating ignition hydrodynamic equivalence in cryogenic deuterium-tritium implosions on OMEGA SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID INERTIAL CONFINEMENT FUSION; RAYLEIGH-TAYLOR; LASER FUSION; SCALING LAWS; INSTABILITY; LIGHT; SIMULATION; DESIGN; MODEL AB Reaching ignition in direct-drive (DD) inertial confinement fusion implosions requires achieving central pressures in excess of 100 Gbar. The OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] is used to study the physics of implosions that are hydrodynamically equivalent to the ignition designs on the National Ignition Facility (NIF) [J. A. Paisner et al., Laser Focus World 30, 75 (1994)]. It is shown that the highest hot-spot pressures (up to 40 Gbar) are achieved in target designs with a fuel adiabat of alpha similar or equal to 4, an implosion velocity of 3.8 x 10(7) cm/s, and a laser intensity of similar to 10(15) W/cm(2). These moderate-adiabat implosions are well understood using two-dimensional hydrocode simulations. The performance of lower-adiabat implosions is significantly degraded relative to code predictions, a common feature between DD implosions on OMEGA and indirect-drive cryogenic implosions on the NIF. Simplified theoretical models are developed to gain physical understanding of the implosion dynamics that dictate the target performance. These models indicate that degradations in the shell density and integrity (caused by hydrodynamic instabilities during the target acceleration) coupled with hydrodynamics at stagnation are the main failure mechanisms in low-adiabat designs. To demonstrate ignition hydrodynamic equivalence in cryogenic implosions on OMEGA, the target-design robustness to hydrodynamic instability growth must be improved by reducing laser-coupling losses caused by cross beam energy transfer. (C) 2014 AIP Publishing LLC. C1 [Goncharov, V. N.; Sangster, T. C.; Betti, R.; Boehly, T. R.; Bonino, M. J.; Collins, T. J. B.; Craxton, R. S.; Delettrez, J. A.; Edgell, D. H.; Epstein, R.; Follett, R. K.; Forrest, C. J.; Froula, D. H.; Glebov, V. Yu; Harding, D. R.; Henchen, R. J.; Hu, S. X.; Igumenshchev, I. V.; Janezic, R.; Kelly, J. H.; Kessler, T. J.; Kosc, T. Z.; Loucks, S. J.; Marozas, J. A.; Marshall, F. J.; Maximov, A. V.; McCrory, R. L.; McKenty, P. W.; Meyerhofer, D. D.; Michel, D. T.; Myatt, J. F.; Nora, R.; Radha, P. B.; Regan, S. P.; Seka, W.; Shmayda, W. T.; Short, R. W.; Shvydky, A.; Skupsky, S.; Stoeckl, C.; Yaakobi, B.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Frenje, J. A.; Gatu-Johnson, M.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Casey, D. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Goncharov, V. N.; Betti, R.; McCrory, R. L.; Meyerhofer, D. D.] Univ Rochester, Dept Mech Engn, Rochester, NY 14623 USA. [Betti, R.; Follett, R. K.; Froula, D. H.; Henchen, R. J.; McCrory, R. L.; Meyerhofer, D. D.; Nora, R.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14623 USA. RP Goncharov, VN (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. RI Hu, Suxing/A-1265-2007 OI Hu, Suxing/0000-0003-2465-3818 FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; University of Rochester; New York State Energy Research and Development Authority FX This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award No. DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. NR 60 TC 40 Z9 40 U1 3 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056315 DI 10.1063/1.4876618 PG 28 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200124 ER PT J AU Guo, HY Li, J Wan, BN Gong, XZ Liang, YF Xu, GS Zhang, XD Ding, SY Gan, KF Hu, JS Hu, LQ Liu, SC Qian, JP Sun, YW Wang, HQ Wang, L Xia, TY Xiao, BJ Zeng, L Zhao, YP Denner, P Ferron, JR Garofalo, AM Holcomb, CT Hyatt, AW Jackson, GL Loarte, A Maingi, R Menard, JE Rack, M Solomon, WM Xu, XQ Van Zeeland, M Zou, XL AF Guo, H. Y. Li, J. Wan, B. N. Gong, X. Z. Liang, Y. F. Xu, G. S. Zhang, X. D. Ding, S. Y. Gan, K. F. Hu, J. S. Hu, L. Q. Liu, S. C. Qian, J. P. Sun, Y. W. Wang, H. Q. Wang, L. Xia, T. Y. Xiao, B. J. Zeng, L. Zhao, Y. P. Denner, P. Ferron, J. R. Garofalo, A. M. Holcomb, C. T. Hyatt, A. W. Jackson, G. L. Loarte, A. Maingi, R. Menard, J. E. Rack, M. Solomon, W. M. Xu, X. Q. Van Zeeland, M. Zou, X. L. CA EAST Team TI Recent advances in long-pulse high-confinement plasma operations in Experimental Advanced Superconducting Tokamak SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID STEADY-STATE OPERATION; ELMY H-MODES; DIII-D; ASDEX UPGRADE; CURRENT DRIVE; HIGH-DENSITY; TRANSPORT; DISCHARGES; SIMULATION; STABILITY AB A long-pulse high confinement plasma regime known as H-mode is achieved in the Experimental Advanced Superconducting Tokamak (EAST) with a record duration over 30 s, sustained by Lower Hybrid wave Current Drive (LHCD) with advanced lithium wall conditioning and divertor pumping. This long-pulse H-mode plasma regime is characterized by the co-existence of a small Magneto-Hydrodynamic (MHD) instability, i.e., Edge Localized Modes (ELMs) and a continuous quasi-coherent MHD mode at the edge. We find that LHCD provides an intrinsic boundary control for ELMs, leading to a dramatic reduction in the transient power load on the vessel wall, compared to the standard Type I ELMs. LHCD also induces edge plasma ergodization, broadening heat deposition footprints, and the heat transport caused by ergodization can be actively controlled by regulating edge plasma conditions, thus providing a new means for stationary heat flux control. In addition, advanced tokamak scenarios have been newly developed for high-performance long-pulse plasma operations in the next EAST experimental campaign. (C) 2014 AIP Publishing LLC. C1 [Guo, H. Y.; Li, J.; Wan, B. N.; Gong, X. Z.; Liang, Y. F.; Xu, G. S.; Zhang, X. D.; Ding, S. Y.; Gan, K. F.; Hu, J. S.; Hu, L. Q.; Liu, S. C.; Qian, J. P.; Sun, Y. W.; Wang, H. Q.; Wang, L.; Xia, T. Y.; Xiao, B. J.; Zeng, L.; Zhao, Y. P.; EAST Team] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Guo, H. Y.] Tri Alpha Energy Inc, Rancho Santa Margarita, CA 92688 USA. [Liang, Y. F.; Denner, P.; Rack, M.] Forschungszentrum Julich, Assoc EURATOM FZ Julich, Inst Energie & Klimaforsch Plasmaphys, Trilateral Euregio Cluster, D-52425 Julich, Germany. [Ferron, J. R.; Garofalo, A. M.; Hyatt, A. W.; Jackson, G. L.; Van Zeeland, M.] Gen Atom Co, San Diego, CA 92186 USA. [Holcomb, C. T.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Loarte, A.] ITER Org, F-13115 St Paul Les Durance, France. [Maingi, R.; Menard, J. E.; Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Maingi, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zou, X. L.] CEA, IRFM, F-13108 St Paul Les Durance, France. RP Guo, HY (reprint author), Chinese Acad Sci, Inst Plasma Phys, POB 1126, Hefei 230031, Peoples R China. EM bnwan@ipp.ac.cn RI Sun, Youwen/B-3553-2012; Xiao, Bingjia/A-1681-2017; OI Sun, Youwen/0000-0002-9934-1328; Xiao, Bingjia/0000-0001-8692-2636; Menard, Jonathan/0000-0003-1292-3286; Solomon, Wayne/0000-0002-0902-9876 FU National Magnetic Confinement Fusion Science Program of China [2010GB104001, 2010GB104002, 2011GB101000, 2011GB107001, 2012GB101001, 2013GB107003, 2013GB106003]; National Nature Science Foundation of China [11021565, 10725523, 10990212]; JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics [11261140328]; Magnetic Confinement Innovation Team Plan of Chinese Academy of Sciences [11321092]; Thousand Talent Plan of China; Helmholtz Association [VH-NG-410] FX We would like to acknowledge the support and contributions from the rest of the EAST team and collaborators. This work was supported in part by National Magnetic Confinement Fusion Science Program of China under Contract Nos. 2010GB104001, 2010GB104002, 2011GB101000, 2011GB107001, 2012GB101001, 2013GB107003, and 2013GB106003, National Nature Science Foundation of China under Contract Nos. 11021565, 10725523, 10990212, JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics (NSFC No. 11261140328), and Magnetic Confinement Innovation Team Plan of Chinese Academy of Sciences (No. 11321092), as well as the Thousand Talent Plan of China and Helmholtz Association in the frame of the Helmholtz-University Young Investors Group VH-NG-410. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 56 TC 15 Z9 16 U1 11 U2 66 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056107 DI 10.1063/1.4872195 PG 13 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200104 ER PT J AU Hu, YJ Li, GQ Gorelenkov, NN Cai, HS Yang, WJ Zhou, D Ren, QL AF Hu, Youjun Li, Guoqiang Gorelenkov, N. N. Cai, Huishan Yang, Wenjun Zhou, Deng Ren, Qilong TI Numerical study of Alfven eigenmodes in the Experimental Advanced Superconducting Tokamak SO PHYSICS OF PLASMAS LA English DT Article ID AXISYMMETRICAL TOROIDAL PLASMAS; MHD STABILITY; CODE; MAGNETOHYDRODYNAMICS; EXCITATION; EXISTENCE; MODES AB Alfven eigenmodes in up-down asymmetric tokamak equilibria are studied by a new magnetohydrodynamic eigenvalue code. The code is verified with the NOVA code for the Solovev equilibrium and then is used to study Alfven eigenmodes in a up-down asymmetric equilibrium of the Experimental Advanced Superconducting Tokamak. The frequency and mode structure of toroidicity-induced Alfven eigenmodes are calculated. It is demonstrated numerically that up-down asymmetry induces phase variation in the eigenfunction across the major radius on the midplane. (C) 2014 AIP Publishing LLC. C1 [Hu, Youjun; Li, Guoqiang; Yang, Wenjun; Zhou, Deng; Ren, Qilong] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. [Hu, Youjun] Chinese Acad Sci, Ctr Magnet Fus Theory, Hefei 230031, Anhui, Peoples R China. [Gorelenkov, N. N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Cai, Huishan] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China. RP Hu, YJ (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. EM yjhu@ipp.cas.cn OI hu, you jun/0000-0002-6764-5538 FU National Magnetic Confinement Fusion Science Program of China [2013GB112010, 2011GB105004, 2011GB101001]; National Natural Science Foundation of China [11105183] FX The authors would like to thank Dr. G. Y. Fu, Dr. Shaojie Wang, Dr. Y. Todo, Dr. Y. R. Lin-Liu, Dr. N. Xiang, Dr. Deyong Liu, and Dr. Wei Chen for useful discussions. This work was supported by the National Magnetic Confinement Fusion Science Program of China under Grant Nos. 2013GB112010, 2011GB105004, 2011GB101001, and the National Natural Science Foundation of China under Grant No. 11105183. NR 48 TC 4 Z9 6 U1 3 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 052510 DI 10.1063/1.4879826 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200038 ER PT J AU Hurricane, OA Callahan, DA Casey, DT Dewald, EL Dittrich, TR Doppner, T Barrios Garcia, MA Hinkel, DE Hopkins, LFB Kervin, P Kline, JL Le Pape, S Ma, T MacPhee, AG Milovich, JL Moody, J Pak, AE Patel, PK Park, HS Remington, BA Robey, HF Salmonson, JD Springer, PT Tommasini, R Benedetti, LR Caggiano, JA Celliers, P Cerjan, C Dylla-Spears, R Edgell, D Edwards, MJ Fittinghoff, D Grim, GP Guler, N Izumi, N Frenje, JA Johnson, MG Haan, S Hatarik, R Herrmann, H Khan, S Knauer, J Kozioziemski, BJ Kritcher, AL Kyrala, G Maclaren, SA Merrill, FE Michel, P Ralph, J Ross, JS Rygg, JR Schneider, MB Spears, BK Widmann, K Yeamans, CB AF Hurricane, O. A. Callahan, D. A. Casey, D. T. Dewald, E. L. Dittrich, T. R. Doeppner, T. Barrios Garcia, M. A. Hinkel, D. E. Hopkins, L. F. Berzak Kervin, P. Kline, J. L. Le Pape, S. Ma, T. MacPhee, A. G. Milovich, J. L. Moody, J. Pak, A. E. Patel, P. K. Park, H. -S. Remington, B. A. Robey, H. F. Salmonson, J. D. Springer, P. T. Tommasini, R. Benedetti, L. R. Caggiano, J. A. Celliers, P. Cerjan, C. Dylla-Spears, R. Edgell, D. Edwards, M. J. Fittinghoff, D. Grim, G. P. Guler, N. Izumi, N. Frenje, J. A. Johnson, M. Gatu Haan, S. Hatarik, R. Herrmann, H. Khan, S. Knauer, J. Kozioziemski, B. J. Kritcher, A. L. Kyrala, G. Maclaren, S. A. Merrill, F. E. Michel, P. Ralph, J. Ross, J. S. Rygg, J. R. Schneider, M. B. Spears, B. K. Widmann, K. Yeamans, C. B. TI The high-foot implosion campaign on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID INERTIAL CONFINEMENT FUSION; RAYLEIGH-TAYLOR INSTABILITY; GAIN; SIMULATIONS AB The "High-Foot" platform manipulates the laser pulse-shape coming from the National Ignition Facility laser to create an indirect drive 3-shock implosion that is significantly more robust against instability growth involving the ablator and also modestly reduces implosion convergence ratio. This strategy gives up on theoretical high-gain in an inertial confinement fusion implosion in order to obtain better control of the implosion and bring experimental performance in-line with calculated performance, yet keeps the absolute capsule performance relatively high. In this paper, we will cover the various experimental and theoretical motivations for the high-foot drive as well as cover the experimental results that have come out of the high-foot experimental campaign. At the time of this writing, the high-foot implosion has demonstrated record total deuterium-tritium yields (9.3 x 10(15)) with low levels of inferred mix, excellent agreement with implosion simulations, fuel energy gains exceeding unity, and evidence for the "bootstrapping" associated with alpha-particle self-heating. (C) 2014 AIP Publishing LLC. C1 [Hurricane, O. A.; Callahan, D. A.; Casey, D. T.; Dewald, E. L.; Dittrich, T. R.; Doeppner, T.; Barrios Garcia, M. A.; Hinkel, D. E.; Hopkins, L. F. Berzak; Kervin, P.; Le Pape, S.; Ma, T.; MacPhee, A. G.; Milovich, J. L.; Moody, J.; Pak, A. E.; Patel, P. K.; Park, H. -S.; Remington, B. A.; Robey, H. F.; Salmonson, J. D.; Springer, P. T.; Tommasini, R.; Benedetti, L. R.; Caggiano, J. A.; Celliers, P.; Cerjan, C.; Dylla-Spears, R.; Edwards, M. J.; Fittinghoff, D.; Izumi, N.; Haan, S.; Hatarik, R.; Khan, S.; Kozioziemski, B. J.; Kritcher, A. L.; Maclaren, S. A.; Michel, P.; Ralph, J.; Ross, J. S.; Rygg, J. R.; Schneider, M. B.; Spears, B. K.; Widmann, K.; Yeamans, C. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kline, J. L.; Grim, G. P.; Guler, N.; Herrmann, H.; Kyrala, G.; Merrill, F. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Edgell, D.; Knauer, J.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Frenje, J. A.; Johnson, M. Gatu] MIT, Cambridge, MA 02139 USA. RP Hurricane, OA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM hurricane1@llnl.gov RI Michel, Pierre/J-9947-2012; Ma, Tammy/F-3133-2013; lepape, sebastien/J-3010-2015; Patel, Pravesh/E-1400-2011; IZUMI, Nobuhiko/J-8487-2016; Tommasini, Riccardo/A-8214-2009; OI Ma, Tammy/0000-0002-6657-9604; IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini, Riccardo/0000-0002-1070-3565; Kline, John/0000-0002-2271-9919; Merrill, Frank/0000-0003-0603-735X FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank P. Albright, J. Atherton, D. Bradley, B. Burr, D. Clark, W. Goldstein, B. Goodwin, G. Gururangan, W. Hsing, O. Jones, D. Kalantar, R. Kirkwood, L. Kot, A. Hamza, J. Kilkenny, O. Landen, J. Lindl, A. Mackinnon, B. MacGowan, J. F. Meeker, N. Meezan, E. Moses, T. Parham, D. Strozzi, R. Town, C. Verdon at LLNL and NIF operations, cryogenics, and targets teams. Thanks to L. Peterson, K. Raman, and V. Smalyuk of the Hydro-growth Radiography Team for discussions on High-foot stability. Thanks to C. Wilde and P. Volegov of LANL for their contribution to the NIS system and analysis and to our other external collaborators at LANL (diagnostics), GA (targets), LLE (diagnostics), the MIT Plasma Science and Fusion Center (MRS diagnostic), CEA, and AWE. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 54 TC 56 Z9 59 U1 10 U2 39 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056314 DI 10.1063/1.4874330 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200123 ER PT J AU Koepke, M Davidson, RC AF Koepke, Mark Davidson, Ronald C. TI Foreword to Special Issue: Papers from the 55th Annual Meeting of the APS Division of Plasma Physics, November 11-14, 2013, Denver, Colorado, USA SO PHYSICS OF PLASMAS LA English DT Editorial Material C1 [Koepke, Mark] W Virginia Univ, Morgantown, WV 26506 USA. [Davidson, Ronald C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Koepke, M (reprint author), W Virginia Univ, Morgantown, WV 26506 USA. NR 0 TC 0 Z9 0 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055301 DI 10.1063/1.4878357 PG 2 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200081 ER PT J AU Krommes, JA Hammett, GW AF Krommes, J. A. Hammett, G. W. TI The actual scaling of a nominally third-order Reynolds stress SO PHYSICS OF PLASMAS LA English DT Article ID EDDY VISCOSITY; TURBULENCE AB It is shown that a particular higher-order Reynolds stress arising from a term in the third-order gyrokinetic Hamiltonian is smaller than it nominally appears to be. However, it does not follow that all third-order terms are unimportant. The discussion is relevant to the ongoing debate about the importance of higher-order terms in the gyrokinetic theory of momentum transport. (C) 2014 AIP Publishing LLC. C1 [Krommes, J. A.; Hammett, G. W.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Krommes, JA (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM krommes@princeton.edu; hammett@princeton.edu RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 FU U.S. Department of Energy [DE-AC02-09CH11466] FX We are grateful for useful communications with A. Brizard, Y. Idomura, F. Parra, B. Scott, and H. Sugama. This work was supported by the U.S. Department of Energy Contract DE-AC02-09CH11466. NR 27 TC 1 Z9 1 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 054502 DI 10.1063/1.4879029 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200076 ER PT J AU Liu, YQ Chapman, IT Graves, JP Hao, GZ Wang, ZR Menard, JE Okabayashi, M Strait, EJ Turnbull, A AF Liu, Yueqiang Chapman, I. T. Graves, J. P. Hao, G. Z. Wang, Z. R. Menard, J. E. Okabayashi, M. Strait, E. J. Turnbull, A. TI Non-perturbative modelling of energetic particle effects on resistive wall mode: Anisotropy and finite orbit width SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID INTERNAL KINK MODE; PLASMA ROTATION; FEEDBACK STABILIZATION; ALFVEN EIGENMODE; STABILITY; TOKAMAKS; LIMITS; IONS; ITER AB A non-perturbative magnetohydrodynamic-kinetic hybrid formulation is developed and implemented into the MARS-K code [Liu et al., Phys. Plasmas 15, 112503 (2008)] that takes into account the anisotropy and asymmetry [Graves et al., Nature Commun. 3, 624 (2012)] of the equilibrium distribution of energetic particles (EPs) in particle pitch angle space, as well as first order finite orbit width (FOW) corrections for both passing and trapped EPs. Anisotropic models, which affect both the adiabatic and non-adiabatic drift kinetic energy contributions, are implemented for both neutral beam injection and ion cyclotron resonant heating induced EPs. The first order FOW correction does not contribute to the precessional drift resonance of trapped particles, but generally remains finite for the bounce and transit resonance contributions, as well as for the adiabatic contributions from asymmetrically distributed passing particles. Numerical results for a 9MA steady state ITER plasma suggest that (i) both the anisotropy and FOW effects can be important for the resistive wall mode stability in ITER plasmas; and (ii) the non-perturbative approach predicts less kinetic stabilization of the mode, than the perturbative approach, in the presence of anisotropy and FOW effects for the EPs. The latter may partially be related to the modification of the eigenfunction of the mode by the drift kinetic effects. C1 [Liu, Yueqiang; Chapman, I. T.] Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Graves, J. P.] Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, Assoc Euratom Confederat Suisse, CH-1015 Lausanne, Switzerland. [Hao, G. Z.] Southwestern Inst Phys, Chengdu 610041, Peoples R China. [Wang, Z. R.; Menard, J. E.; Okabayashi, M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Strait, E. J.; Turnbull, A.] Gen Atom Co, San Diego, CA 92186 USA. RP Liu, YQ (reprint author), Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM yueqiang.liu@ccfe.ac.uk RI EPFL, Physics/O-6514-2016; OI Menard, Jonathan/0000-0003-1292-3286 FU RCUK Energy Programme [EP/I501045]; European Communities; National Natural Science Foundation of China [11205051]; National Magnetic Confinement Fusion Science Program of China [2014GB124004] FX This work was part-funded by the RCUK Energy Programme under Grant No. EP/I501045 and the European Communities under the contract of Association between EURATOM and CCFE. To obtain further information on the data and models underlying this paper, please contact PublicationsManager@ccfe.ac.uk. The views and opinions expressed herein do not necessarily reflect those of the European Commission. G.Z.H. would like to acknowledge the support from the National Natural Science Foundation of China under No. 11205051 and the National Magnetic Confinement Fusion Science Program of China under No. 2014GB124004. NR 49 TC 17 Z9 17 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056105 DI 10.1063/1.4872307 PG 22 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200102 ER PT J AU Ma, T Fletcher, L Pak, A Chapman, DA Falcone, RW Fortmann, C Galtier, E Gericke, DO Gregori, G Hastings, J Landen, OL Le Pape, S Lee, HJ Nagler, B Neumayer, P Turnbull, D Vorberger, J White, TG Wunsch, K Zastrau, U Glenzer, SH Doppner, T AF Ma, T. Fletcher, L. Pak, A. Chapman, D. A. Falcone, R. W. Fortmann, C. Galtier, E. Gericke, D. O. Gregori, G. Hastings, J. Landen, O. L. Le Pape, S. Lee, H. J. Nagler, B. Neumayer, P. Turnbull, D. Vorberger, J. White, T. G. Wuensch, K. Zastrau, U. Glenzer, S. H. Doeppner, T. TI Observations of strong ion-ion correlations in dense plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID MATTER; LASER; SCATTERING; PRESSURES; CRYSTALS AB Using simultaneous spectrally, angularly, and temporally resolved x-ray scattering, we measure the pronounced ion-ion correlation peak in a strongly coupled plasma. Laser-driven shock-compressed aluminum at similar to 3x solid density is probed with high-energy photons at 17.9 keV created by molybdenum He-alpha emission in a laser-driven plasma source. The measured elastic scattering feature shows a well-pronounced correlation peak at a wave vector of k = 4 angstrom(-1). The magnitude of this correlation peak cannot be described by standard plasma theories employing a linear screened Coulomb potential. Advanced models, including a strong short-range repulsion due to the inner structure of the aluminum ions are however in good agreement with the scattering data. These studies have demonstrated a new highly accurate diagnostic technique to directly measure the state of compression and the ion-ion correlations. We have since applied this new method in single-shot wave-number resolved S(k) measurements to characterize the physical properties of dense plasmas. (C) 2014 AIP Publishing LLC. C1 [Ma, T.; Pak, A.; Fortmann, C.; Landen, O. L.; Le Pape, S.; Turnbull, D.; Doeppner, T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fletcher, L.; Galtier, E.; Hastings, J.; Lee, H. J.; Nagler, B.; Zastrau, U.; Glenzer, S. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Chapman, D. A.] AWE Plc, Plasma Phys Grp, Reading RG7 4PR, Berks, England. [Chapman, D. A.; Gericke, D. O.] Univ Warwick, Dept Phys, Ctr Fus Space & Astrophys, Coventry CV4 7AL, W Midlands, England. [Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Fortmann, C.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Gregori, G.; White, T. G.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. [Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch, Extreme Matter Inst, D-64291 Darmstadt, Germany. [Vorberger, J.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. [Wuensch, K.] Tessella, Abington OX14 3YS, England. [Zastrau, U.] Univ Jena, Inst Opt & Quantum Elect, D-07743 Jena, Germany. RP Ma, T (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ma8@llnl.gov RI Ma, Tammy/F-3133-2013; lepape, sebastien/J-3010-2015; Vorberger, Jan/D-9162-2015 OI Ma, Tammy/0000-0002-6657-9604; FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 30 TC 10 Z9 10 U1 7 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056302 DI 10.1063/1.4872161 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200111 ER PT J AU MacKinnon, AJ Meezan, NB Ross, JS Le Pape, S Hopkins, LB Divol, L Ho, D Milovich, J Pak, A Ralph, J Doppner, T Patel, PK Thomas, C Tommasini, R Haan, S MacPhee, AG McNaney, J Caggiano, J Hatarik, R Bionta, R Ma, T Spears, B Rygg, JR Benedetti, LR Town, RPJ Bradley, DK Dewald, EL Fittinghoff, D Jones, OS Robey, HR Moody, JD Khan, S Callahan, DA Hamza, A Biener, J Celliers, PM Braun, DG Erskine, DJ Prisbrey, ST Wallace, RJ Kozioziemski, B Dylla-Spears, R Sater, J Collins, G Storm, E Hsing, W Landen, O Atherton, JL Lindl, JD Edwards, MJ Frenje, JA Gatu-Johnson, M Li, CK Petrasso, R Rinderknecht, H Rosenberg, M Seguin, FH Zylstra, A Knauer, JP Grim, G Guler, N Merrill, F Olson, R Kyrala, GA Kilkenny, JD Nikroo, A Moreno, K Hoover, DE Wild, C Werner, E AF MacKinnon, A. J. Meezan, N. B. Ross, J. S. Le Pape, S. Hopkins, L. Berzak Divol, L. Ho, D. Milovich, J. Pak, A. Ralph, J. Doeppner, T. Patel, P. K. Thomas, C. Tommasini, R. Haan, S. MacPhee, A. G. McNaney, J. Caggiano, J. Hatarik, R. Bionta, R. Ma, T. Spears, B. Rygg, J. R. Benedetti, L. R. Town, R. P. J. Bradley, D. K. Dewald, E. L. Fittinghoff, D. Jones, O. S. Robey, H. R. Moody, J. D. Khan, S. Callahan, D. A. Hamza, A. Biener, J. Celliers, P. M. Braun, D. G. Erskine, D. J. Prisbrey, S. T. Wallace, R. J. Kozioziemski, B. Dylla-Spears, R. Sater, J. Collins, G. Storm, E. Hsing, W. Landen, O. Atherton, J. L. Lindl, J. D. Edwards, M. J. Frenje, J. A. Gatu-Johnson, M. Li, C. K. Petrasso, R. Rinderknecht, H. Rosenberg, M. Seguin, F. H. Zylstra, A. Knauer, J. P. Grim, G. Guler, N. Merrill, F. Olson, R. Kyrala, G. A. Kilkenny, J. D. Nikroo, A. Moreno, K. Hoover, D. E. Wild, C. Werner, E. TI High-density carbon ablator experiments on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID INDIRECT-DRIVE TARGETS; LASER AB High Density Carbon (HDC) is a leading candidate as an ablator material for Inertial Confinement Fusion (ICF) capsules in x-ray (indirect) drive implosions. HDC has a higher density (3.5 g/cc) than plastic (CH, 1 g/cc), which results in a thinner ablator with a larger inner radius for a given capsule scale. This leads to higher x-ray absorption and shorter laser pulses compared to equivalent CH designs. This paper will describe a series of experiments carried out to examine the feasibility of using HDC as an ablator using both gas filled hohlraums and lower density, near vacuum hohlraums. These experiments have shown that deuterium (DD) and deuterium-tritium gas filled HDC capsules driven by a hohlraum filled with 1.2 mg/cc He gas, produce neutron yields a factor of 2x higher than equivalent CH implosions, representing better than 50% Yield-over-Clean (YoC). In a near vacuum hohlraum (He = 0.03 mg/cc) with 98% laser-to-hohlraum coupling, such a DD gas-filled capsule performed near 1D expectations. A cryogenic layered implosion version was consistent with a fuel velocity = 410 +/- 20 km/s with no observed ablator mixing into the hot spot. (C) 2014 AIP Publishing LLC. C1 [MacKinnon, A. J.; Meezan, N. B.; Ross, J. S.; Le Pape, S.; Hopkins, L. Berzak; Divol, L.; Ho, D.; Milovich, J.; Pak, A.; Ralph, J.; Doeppner, T.; Patel, P. K.; Thomas, C.; Tommasini, R.; Haan, S.; MacPhee, A. G.; McNaney, J.; Caggiano, J.; Hatarik, R.; Bionta, R.; Ma, T.; Spears, B.; Rygg, J. R.; Benedetti, L. R.; Town, R. P. J.; Bradley, D. K.; Dewald, E. L.; Fittinghoff, D.; Jones, O. S.; Robey, H. R.; Moody, J. D.; Khan, S.; Callahan, D. A.; Hamza, A.; Biener, J.; Celliers, P. M.; Braun, D. G.; Erskine, D. J.; Prisbrey, S. T.; Wallace, R. J.; Kozioziemski, B.; Dylla-Spears, R.; Sater, J.; Collins, G.; Storm, E.; Hsing, W.; Landen, O.; Atherton, J. L.; Lindl, J. D.; Edwards, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Frenje, J. A.; Gatu-Johnson, M.; Li, C. K.; Petrasso, R.; Rinderknecht, H.; Rosenberg, M.; Seguin, F. H.; Zylstra, A.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Knauer, J. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Grim, G.; Guler, N.; Merrill, F.; Olson, R.; Kyrala, G. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kilkenny, J. D.; Nikroo, A.; Moreno, K.; Hoover, D. E.] Gen Atom Co, San Diego, CA 93286 USA. [Wild, C.; Werner, E.] Diamond Mat GmbH, D-79108 Freiburg, Germany. RP MacKinnon, AJ (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM mackinnon2@llnl.gov RI Tommasini, Riccardo/A-8214-2009; Ma, Tammy/F-3133-2013; MacKinnon, Andrew/P-7239-2014; lepape, sebastien/J-3010-2015; Patel, Pravesh/E-1400-2011 OI Tommasini, Riccardo/0000-0002-1070-3565; Merrill, Frank/0000-0003-0603-735X; /0000-0003-4969-5571; Ma, Tammy/0000-0002-6657-9604; MacKinnon, Andrew/0000-0002-4380-2906; FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors acknowledge the efforts of the NIF operations, laser performance, target diagnostics, and target fabrication teams. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 45 TC 36 Z9 37 U1 2 U2 46 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056318 DI 10.1063/1.4876611 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200127 ER PT J AU May, J Tonge, J Ellis, I Mori, WB Fiuza, F Fonseca, RA Silva, LO Ren, C AF May, J. Tonge, J. Ellis, I. Mori, W. B. Fiuza, F. Fonseca, R. A. Silva, L. O. Ren, C. TI Enhanced stopping of macro-particles in particle-in-cell simulations SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA; CODE; SHOCKS AB We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and three-dimensional particles are presented, with special attention given to the two-dimensional case. This energy transfer is due to the electric field of the wake set up in the background plasma by the relativistic particle. The enhanced stopping is dependent on the q(2)/m, where q is the charge and m is the mass of the relativistic particle, and therefore simulation macro-particles with large charge but identical q/m will stop more rapidly. The stopping power also depends on the effective particle shape of the macro-particle. These conclusions are verified in particle-in-cell simulations. We present 2D simulations of test particles, relaxation of high-energy tails, and integrated fast ignition simulations showing that the enhanced drag on macro-particles may adversely affect the results of these simulations in a wide range of high-energy density plasma scenarios. We also describe a particle splitting algorithm which can potentially overcome this problem and show its effect in controlling the stopping of macro-particles. (C) 2014 AIP Publishing LLC. C1 [May, J.; Tonge, J.; Ellis, I.; Mori, W. B.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Ellis, I.; Fiuza, F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Mori, W. B.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Mori, W. B.] Univ Calif Los Angeles, Inst Digital Res & Educ, Los Angeles, CA 90095 USA. [Fonseca, R. A.; Silva, L. O.] GoLP Inst Plasma & Fusao Nucl, P-1049001 Lisbon, Portugal. [Ren, C.] Univ Rochester, Rochester, NY USA. RP May, J (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RI Fonseca, Ricardo/B-7680-2009; Silva, Luis/C-3169-2009 OI Fonseca, Ricardo/0000-0001-6342-6226; Silva, Luis/0000-0003-2906-924X FU U.S. Department of Energy under the Fusion Science Center on Extreme States of Matter and Fast Ignition Physics [DE-FC02-04ER54789]; University of Rochester; U.S. National Science Foundation [NSF-ACI-1339893]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL Lawrence Fellowship; Lawrence Scholar Program; European Research Council (ERC-AdG Grant) [267841]; [DE-NA0001833]; [DE-SC0008316] FX We acknowledge a useful discussion with Dr. Max Tabak which was an initial motivation for this work in 2009. When finalizing this manuscript it came to our attention that independent work on this topic has been recently carried out by Kato.34 This work was supported by the U.S. Department of Energy under the Fusion Science Center on Extreme States of Matter and Fast Ignition Physics, DE-FC02-04ER54789, including through a subcontract from the University of Rochester, and by Contracts DE-NA0001833 and DE-SC0008316, and the U.S. National Science Foundation under Grant No. NSF-ACI-1339893. This work was also performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. F.F. acknowledges financial support by the LLNL Lawrence Fellowship, and I.E. is supported by the Lawrence Scholar Program. The work of L.O.S. and R.A.F. was supported by the European Research Council (ERC-2010-AdG Grant No. 267841). The simulations were carried out on the Hoffman and Dawson2 Clusters at UCLA, on Intrepid at Argonne National Laboratory, and on Hopper and Edison at the National Energy Research Scientific Computing Center. NR 34 TC 3 Z9 3 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 052703 DI 10.1063/1.4875708 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200042 ER PT J AU Merritt, EC Moser, AL Hsu, SC Adams, CS Dunn, JP Holgado, AM Gilmore, MA AF Merritt, Elizabeth C. Moser, Auna L. Hsu, Scott C. Adams, Colin S. Dunn, John P. Holgado, A. Miguel Gilmore, Mark A. TI Experimental evidence for collisional shock formation via two obliquely merging supersonic plasma jets SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID COLLIDING PLASMAS; PARAMETER SPACE; INTERPENETRATION; FUSION; TEMPERATURE; SIMULATIONS AB We report spatially resolved measurements of the oblique merging of two supersonic laboratory plasma jets. The jets are formed and launched by pulsed-power-driven railguns using injected argon, and have electron density similar to 10(14) cm(-3), electron temperature approximate to 1.4 eV, ionization fraction near unity, and velocity approximate to 40 km/s just prior to merging. The jet merging produces a few-cm-thick stagnation layer, as observed in both fast-framing camera images and multi-chord interferometer data, consistent with collisional shock formation [E. C. Merritt et al., Phys. Rev. Lett. 111, 085003 (2013)]. (C) 2014 AIP Publishing LLC. C1 [Merritt, Elizabeth C.; Moser, Auna L.; Hsu, Scott C.; Adams, Colin S.; Dunn, John P.; Holgado, A. Miguel] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Merritt, Elizabeth C.; Adams, Colin S.; Gilmore, Mark A.] Univ New Mexico, Albuquerque, NM 87131 USA. RP Merritt, EC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM emerritt@lanl.gov; scotthsu@lanl.gov OI Hsu, Scott/0000-0002-6737-4934 FU U.S. Department of Energy FX Significant portions of this work are from E. C. Merritt's doctoral dissertation. We acknowledge HyperV Technologies Corp. for extensive advice on railgun operation, T. P. Intrator and G. A. Wurden for sharing laboratory and diagnostic hardware, and J. T. Cassibry, J. Loverich, and C. Thoma for useful discussions. This work was supported by the U.S. Department of Energy. NR 55 TC 12 Z9 12 U1 4 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055703 DI 10.1063/1.4872323 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200086 ER PT J AU Moody, JD Callahan, DA Hinkel, DE Amendt, PA Baker, KL Bradley, D Celliers, PM Dewald, EL Divol, L Doppner, T Eder, DC Edwards, MJ Jones, O Haan, SW Ho, D Hopkins, LB Izumi, N Kalantar, D Kauffman, RL Kilkenny, JD Landen, O Lasinski, B LePape, S Ma, T MacGowan, BJ MacLaren, SA Mackinnon, AJ Meeker, D Meezan, N Michel, P Milovich, JL Munro, D Pak, AE Rosen, M Ralph, J Robey, HF Ross, JS Schneider, MB Strozzi, D Storm, E Thomas, C Town, RPJ Widmann, KL Kline, J Kyrala, G Nikroo, A Boehly, T Moore, AS Glenzer, SH AF Moody, J. D. Callahan, D. A. Hinkel, D. E. Amendt, P. A. Baker, K. L. Bradley, D. Celliers, P. M. Dewald, E. L. Divol, L. Doeppner, T. Eder, D. C. Edwards, M. J. Jones, O. Haan, S. W. Ho, D. Hopkins, L. B. Izumi, N. Kalantar, D. Kauffman, R. L. Kilkenny, J. D. Landen, O. Lasinski, B. LePape, S. Ma, T. MacGowan, B. J. MacLaren, S. A. Mackinnon, A. J. Meeker, D. Meezan, N. Michel, P. Milovich, J. L. Munro, D. Pak, A. E. Rosen, M. Ralph, J. Robey, H. F. Ross, J. S. Schneider, M. B. Strozzi, D. Storm, E. Thomas, C. Town, R. P. J. Widmann, K. L. Kline, J. Kyrala, G. Nikroo, A. Boehly, T. Moore, A. S. Glenzer, S. H. TI Progress in hohlraum physics for the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID LASER; PLASMA AB Advances in hohlraums for inertial confinement fusion at the National Ignition Facility (NIF) were made this past year in hohlraum efficiency, dynamic shape control, and hot electron and x-ray preheat control. Recent experiments are exploring hohlraum behavior over a large landscape of parameters by changing the hohlraum shape, gas-fill, and laser pulse. Radiation hydrodynamic modeling, which uses measured backscatter, shows that gas-filled hohlraums utilize between 60% and 75% of the laser power to match the measured bang-time, whereas near-vacuum hohlraums utilize 98%. Experiments seem to be pointing to deficiencies in the hohlraum (instead of capsule) modeling to explain most of the inefficiency in gas-filled targets. Experiments have begun quantifying the Cross Beam Energy Transfer (CBET) rate at several points in time for hohlraum experiments that utilize CBET for implosion symmetry. These measurements will allow better control of the dynamic implosion symmetry for these targets. New techniques are being developed to measure the hot electron energy and energy spectra generated at both early and late time. Rugby hohlraums offer a target which requires little to no CBET and may be less vulnerable to undesirable dynamic symmetry "swings." A method for detecting the effect of the energetic electrons on the fuel offers a direct measure of the hot electron effects as well as a means to test energetic electron mitigation methods. At higher hohlraum radiation temperatures (including near vacuum hohlraums), the increased hard x-rays (1.8-4 keV) may pose an x-ray preheat problem. Future experiments will explore controlling these x-rays with advanced wall materials. (C) 2014 AIP Publishing LLC. C1 [Moody, J. D.; Callahan, D. A.; Hinkel, D. E.; Amendt, P. A.; Baker, K. L.; Bradley, D.; Celliers, P. M.; Dewald, E. L.; Divol, L.; Doeppner, T.; Eder, D. C.; Edwards, M. J.; Jones, O.; Haan, S. W.; Ho, D.; Hopkins, L. B.; Izumi, N.; Kalantar, D.; Kauffman, R. L.; Kilkenny, J. D.; Landen, O.; Lasinski, B.; LePape, S.; Ma, T.; MacGowan, B. J.; MacLaren, S. A.; Mackinnon, A. J.; Meeker, D.; Meezan, N.; Michel, P.; Milovich, J. L.; Munro, D.; Pak, A. E.; Rosen, M.; Ralph, J.; Robey, H. F.; Ross, J. S.; Schneider, M. B.; Strozzi, D.; Storm, E.; Thomas, C.; Town, R. P. J.; Widmann, K. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kline, J.; Kyrala, G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. [Boehly, T.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Moore, A. S.] Atom Weap Estab, Reading RG7 4PR, Berks, England. [Glenzer, S. H.] Stanford Linear Accelerator, Stanford, CA 94025 USA. RP Moody, JD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM moody4@llnl.gov RI Michel, Pierre/J-9947-2012; Ma, Tammy/F-3133-2013; lepape, sebastien/J-3010-2015; IZUMI, Nobuhiko/J-8487-2016; MacKinnon, Andrew/P-7239-2014 OI Ma, Tammy/0000-0002-6657-9604; IZUMI, Nobuhiko/0000-0003-1114-597X; Strozzi, David/0000-0001-8814-3791; Kline, John/0000-0002-2271-9919; MacKinnon, Andrew/0000-0002-4380-2906 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 35 TC 22 Z9 24 U1 4 U2 34 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056317 DI 10.1063/1.4876966 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200126 ER PT J AU Mustafaev, AS Demidov, VI Kaganovich, ID Koepke, ME Grabovskiy, A AF Mustafaev, A. S. Demidov, V. I. Kaganovich, I. D. Koepke, M. E. Grabovskiy, A. TI Sharp transition between two regimes of operation of dc discharge with two anodes and thermionic emission from cathode SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA AB In a dc discharge plasma with two anodes and thermionic emission from cathode, the two anodes are used for plasma control. The main anode is placed between the cathode and the other auxiliary anode has a circular opening for passing electron current from the cathode to the second anode. It is experimentally demonstrated that a plasma may exhibit a sudden transition between two quasi-stable conditions as one increases the cathode-electron current collected by the auxiliary anode through an aperture, i.e., hole, in the main anode. In one regime, a bright glowing "ball-shaped double layer" appears on the plasma side having a potential drop of 10-15 eV and concomitant ionization in the neighboring region attached to the opening. The second regime is characterized by a uniform potential profile in plasma and an absence of the ball-shaped double layer. The transition between these regimes is accompanied by a significant change in plasma properties, such as the electron energy distribution function (EEDF). Controlling the EEDF is a valuable capability in technological applications. Increasing the gas pressure leads to the elimination of the first regime for sufficiently high gas pressure, the threshold being a few Torr. The disappearance of a regime transition can be explained by invoking an EEDF transition, from being nonlocal at low pressure to becoming local at high pressure. Local EEDF is determined by local values of electric field. Nonlocal EEDF is determined by electric field values elsewhere, and the electron can travel without energy loss over a path much longer than the discharge dimension. (C) 2014 AIP Publishing LLC. C1 [Mustafaev, A. S.; Grabovskiy, A.] Natl Mineral Resources Univ Gorniy, St Petersburg 199106, Russia. [Demidov, V. I.; Koepke, M. E.] W Virginia Univ, Morgantown, WV 26506 USA. [Demidov, V. I.] St Petersburg State Univ, St Petersburg 199034, Russia. [Demidov, V. I.] Univ ITMO, St Petersburg 197101, Russia. [Kaganovich, I. D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Mustafaev, AS (reprint author), Natl Mineral Resources Univ Gorniy, St Petersburg 199106, Russia. RI Demidov, Vladimir/A-4247-2013; Mustafaev, Alexander/I-1319-2016 OI Demidov, Vladimir/0000-0002-2672-7684; FU DOE OFES [DE-SC0001939]; SPbGU; University ITMO; NMRU FX A.S.M. and A. G. are grateful to Professor V. S. Litvinenko for permanent support. This work was partially supported by the DOE OFES (Contract No. DE-SC0001939), SPbGU, University ITMO, and NMRU. NR 23 TC 2 Z9 2 U1 2 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 053508 DI 10.1063/1.4876928 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200068 ER PT J AU Myatt, JF Zhang, J Short, RW Maximov, AV Seka, W Froula, DH Edgell, DH Michel, DT Igumenshchev, IV Hinkel, DE Michel, P Moody, JD AF Myatt, J. F. Zhang, J. Short, R. W. Maximov, A. V. Seka, W. Froula, D. H. Edgell, D. H. Michel, D. T. Igumenshchev, I. V. Hinkel, D. E. Michel, P. Moody, J. D. TI Multiple-beam laser-plasma interactions in inertial confinement fusion SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID STIMULATED BRILLOUIN-SCATTERING; 2-PLASMON DECAY INSTABILITY; NATIONAL-IGNITION-FACILITY; QUARTER-CRITICAL DENSITY; PARTICLE-IN-CELL; ENERGY-TRANSFER; PARAMETRIC-INSTABILITIES; RAMAN-SCATTERING; INHOMOGENEOUS PLASMAS; FLOWING PLASMA AB The experimental evidence for multiple-beam laser-plasma instabilities of relevance to laser driven inertial confinement fusion at the ignition scale is reviewed, in both the indirect and direct-drive approaches. The instabilities described are cross-beam energy transfer (in both indirectly driven targets on the NIF and in direct-drive targets), multiple-beam stimulated Raman scattering (for indirect-drive), and multiple-beam two-plasmon decay instability (in direct drive). Advances in theoretical understanding and in the numerical modeling of these multiple beam instabilities are presented. (C) 2014 AIP Publishing LLC. C1 [Myatt, J. F.; Zhang, J.; Short, R. W.; Maximov, A. V.; Seka, W.; Froula, D. H.; Edgell, D. H.; Michel, D. T.; Igumenshchev, I. V.] Rochester Inst Technol, Laser Energet Lab, Rochester, NY 14623 USA. [Myatt, J. F.; Zhang, J.; Maximov, A. V.] Univ Rochester, Dept Mech Engn, Rochester, NY 14627 USA. [Froula, D. H.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Hinkel, D. E.; Michel, P.; Moody, J. D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Myatt, JF (reprint author), Rochester Inst Technol, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA. EM jmya@lle.rochester.edu RI Michel, Pierre/J-9947-2012 FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; University of Rochester; New York State Energy Research and Development Authority FX This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award No. DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. NR 208 TC 19 Z9 20 U1 3 U2 37 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055501 DI 10.1063/1.4878623 PG 19 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200083 ER PT J AU Nagayama, T Bailey, JE Loisel, G Hansen, SB Rochau, GA Mancini, RC MacFarlane, JJ Golovkin, I AF Nagayama, T. Bailey, J. E. Loisel, G. Hansen, S. B. Rochau, G. A. Mancini, R. C. MacFarlane, J. J. Golovkin, I. TI Control and diagnosis of temperature, density, and uniformity in x-ray heated iron/magnesium samples for opacity measurements SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID INERTIAL CONFINEMENT FUSION; LASER-PRODUCED PLASMAS; ABSORPTION EXPERIMENTS; CONSTRAINED SAMPLES; PHOTOGRAPHIC FILMS; MODELS; HOT; SPECTROSCOPY; LINES; CODE AB Experimental tests are in progress to evaluate the accuracy of the modeled iron opacity at solar interior conditions, in particular to better constrain the solar abundance problem [S. Basu and H. M. Antia, Phys. Rep. 457, 217 (2008)]. Here, we describe measurements addressing three of the key requirements for reliable opacity experiments: control of sample conditions, independent sample condition diagnostics, and verification of sample condition uniformity. The opacity samples consist of iron/magnesium layers tamped by plastic. By changing the plastic thicknesses, we have controlled the iron plasma conditions to reach (1) T-e = 167 +/- 3 eV and n(e) = (7.1 +/- 1.5) x 10(21) cm(-3), (2) T-e = 170 +/- 2 eV and n(e) = (2.0 +/- 0.2) x 10(22) cm(-3), and (3) T-e = 196 +/- 6 eV and n(e) = (3.8 +/- 0.8) x 10(22) cm(-3), which were measured by magnesium tracer K-shell spectroscopy. The opacity sample non-uniformity was directly measured by a separate experiment where Al is mixed into the side of the sample facing the radiation source and Mg into the other side. The iron condition was confirmed to be uniform within their measurement uncertainties by Al and Mg K-shell spectroscopy. The conditions are suitable for testing opacity calculations needed for modeling the solar interior, other stars, and high energy density plasmas. (C) 2014 AIP Publishing LLC. C1 [Nagayama, T.; Bailey, J. E.; Loisel, G.; Hansen, S. B.; Rochau, G. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Mancini, R. C.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [MacFarlane, J. J.; Golovkin, I.] Prism Computat Sci, Madison, WI 53703 USA. RP Nagayama, T (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy [DE-AC04-94AL85000] FX We are grateful to R. Falcon and T. Lockard for their help in refining the manuscript. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94AL85000. NR 55 TC 14 Z9 15 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056502 DI 10.1063/1.4872324 PG 15 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200129 ER PT J AU Nagayama, T Mancini, RC Florido, R Mayes, D Tommasini, R Koch, JA Delettrez, JA Regan, SP Smalyuk, VA AF Nagayama, T. Mancini, R. C. Florido, R. Mayes, D. Tommasini, R. Koch, J. A. Delettrez, J. A. Regan, S. P. Smalyuk, V. A. TI Direct asymmetry measurement of temperature and density spatial distributions in inertial confinement fusion plasmas from pinhole space-resolved spectra SO PHYSICS OF PLASMAS LA English DT Article ID RAY; SPECTROSCOPY; FACILITY AB Two-dimensional space-resolved temperature and density images of an inertial confinement fusion (ICF) implosion core have been diagnosed for the first time. Argon-doped, direct-drive ICF experiments were performed at the Omega Laser Facility and a collection of two-dimensional space-resolved spectra were obtained from an array of gated, spectrally resolved pinhole images recorded by a multi-monochromatic x-ray imager. Detailed spectral analysis revealed asymmetries of the core not just in shape and size but in the temperature and density spatial distributions, thus characterizing the core with an unprecedented level of detail. (C) 2014 AIP Publishing LLC. C1 [Nagayama, T.; Mancini, R. C.; Florido, R.; Mayes, D.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Tommasini, R.; Koch, J. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Delettrez, J. A.; Regan, S. P.; Smalyuk, V. A.] Univ Rochester, Laser Energet Lab, New York, NY 14623 USA. RP Nagayama, T (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Florido, Ricardo/H-5513-2015; Tommasini, Riccardo/A-8214-2009 OI Florido, Ricardo/0000-0001-7428-6273; Tommasini, Riccardo/0000-0002-1070-3565 FU DOE/NLUF [DE-FG52-09NA29042, DE-NA0000859]; LLNL; Spanish Ministry of Science and Innovation [ENE2009-11208]; Keep-in-Touch Project of the EU FX This work was supported by DOE/NLUF Grant Nos. DE-FG52-09NA29042 and DE-NA0000859, and LLNL. R.F. was also partially supported by Grant No. ENE2009-11208 of the Spanish Ministry of Science and Innovation and the Keep-in-Touch Project of the EU. NR 23 TC 10 Z9 10 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 050702 DI 10.1063/1.4875741 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200002 ER PT J AU Ni, PA Alexander, N Barnard, JJ Lund, SM AF Ni, P. A. Alexander, N. Barnard, J. J. Lund, S. M. TI Summary of recent experiments on focusing of target-normal-sheath-accelerated proton beam with a stack of conducting foils SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID LASER AB We present a summary of recent experiments on focusing of laser target-normal-sheath-accelerated (TNSA) proton beam with a stack of thin conducting foils. The experiments were performed using the Phelix laser (GSI-Darmstadt) and the Titan laser, Lawrence Livermore National Laboratory. The phenomena consistent with self-collimation (or weak self-focusing) of TNSA protons were experimentally observed for the first time at the Phelix laser user facility, in a specially engineered structure ("lens") consisting of a stack of 300 thin aluminum foils separated by 50 mu m vacuum gaps. Follow up experiments using the Titan laser obtained results consistent with the collimation/focusing observed in the initial experiments using the Phelix. The Titan experiments employed improved, 25 mu m- and 50 mu m-gap targets and the new fine mesh diagnostic. All the experiments were carried out in a "passive environment," i.e., no external fields were applied, and no neutralization plasma or injection of secondary charged particles was imposed. A plausible interpretation of the observed phenomena is that the combination of magnetic self-pinch forces generated by the beam current together with the simultaneous reduction of the repulsive electrostatic forces due to the conducting foils inhibits radial expansion of the beam. (C) 2014 AIP Publishing LLC. C1 [Ni, P. A.] Luxim Corp, Sunnyvale, CA 94024 USA. [Ni, P. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Alexander, N.] Gen Atom Co, San Diego, CA 92121 USA. [Barnard, J. J.; Lund, S. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ni, PA (reprint author), Luxim Corp, Sunnyvale, CA 94024 USA. FU U.S. Department of Energy at the Lawrence Berkeley; Lawrence Livermore and National Laboratories [DE-AC02-05CH11231, DE-AC52-07NA27344]; US DOE, OFES, under HEDLP [DE-FOA-0000583] FX The authors would like to acknowledge contribution of our colleagues at LLNL (C. Bellei, B. Cauble, H. Chen, R. Cohen, A. Friedman, H. McLean, and S. Kerr), LBNL (F. M. Bieniosek, B. G. Logan, J. Kwan, and A. Yuen), UCSD (F. Beg, J. W. Kim, and C. McGuffey), and TU-Darmstadt (M. Roth). We also want to thank the technical team of Phelix (and congratulate on the successful inauguration of the facility 13) and Titan, Jupiter for support of the experiments and General Atomics for providing the targets for the experiments. This research was performed under the auspices of the U.S. Department of Energy at the Lawrence Berkeley and Lawrence Livermore and National Laboratories under Contract Nos. DE-AC02-05CH11231 and DE-AC52-07NA27344 and was partially supported by the US DOE, OFES, under HEDLP Proposal No. DE-FOA-0000583. NR 13 TC 0 Z9 1 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056701 DI 10.1063/1.4872217 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200130 ER PT J AU Rinderknecht, HG Sio, H Li, CK Hoffman, N Zylstra, AB Rosenberg, MJ Frenje, JA Johnson, MG Seguin, FH Petrasso, RD Betti, R Glebov, VY Meyerhofer, DD Sangster, TC Seka, W Stoeckl, C Kagan, G Molvig, K Bellei, C Amendt, P Landen, O Rygg, JR Smalyuk, VA Wilks, S Greenwood, A Nikroo, A AF Rinderknecht, H. G. Sio, H. Li, C. K. Hoffman, N. Zylstra, A. B. Rosenberg, M. J. Frenje, J. A. Johnson, M. Gatu Seguin, F. H. Petrasso, R. D. Betti, R. Glebov, V. Yu Meyerhofer, D. D. Sangster, T. C. Seka, W. Stoeckl, C. Kagan, G. Molvig, K. Bellei, C. Amendt, P. Landen, O. Rygg, J. R. Smalyuk, V. A. Wilks, S. Greenwood, A. Nikroo, A. TI Kinetic mix mechanisms in shock-driven inertial confinement fusion implosions SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID RAYLEIGH-TAYLOR INSTABILITY; PLASMAS; IGNITION; SPECTRA; OMEGA AB Shock-driven implosions of thin-shell capsules, or "exploding pushers," generate low-density, high-temperature plasmas in which hydrodynamic instability growth is negligible and kinetic effects can play an important role. Data from implosions of thin deuterated-plastic shells with hydroequivalent (DHe)-He-3 gas fills ranging from pure deuterium to pure He-3 [H. G. Rinderknecht et al., Phys. Rev. Lett. 112, 135001 (2014)] were obtained to evaluate non-hydrodynamic fuel-shell mix mechanisms. Simulations of the experiments including reduced ion kinetic models support ion diffusion as an explanation for these data. Several additional kinetic mechanisms are investigated and compared to the data to determine which are important in the experiments. Shock acceleration of shell deuterons is estimated to introduce mix less than or comparable to the amount required to explain the data. Beam-target mechanisms are found to produce yields at most an order of magnitude less than the observations. (C) 2014 AIP Publishing LLC. C1 [Rinderknecht, H. G.; Sio, H.; Li, C. K.; Zylstra, A. B.; Rosenberg, M. J.; Frenje, J. A.; Johnson, M. Gatu; Seguin, F. H.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Hoffman, N.; Kagan, G.; Molvig, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Betti, R.; Glebov, V. Yu; Meyerhofer, D. D.; Sangster, T. C.; Seka, W.; Stoeckl, C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Bellei, C.; Amendt, P.; Landen, O.; Rygg, J. R.; Smalyuk, V. A.; Wilks, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Greenwood, A.; Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. RP Rinderknecht, HG (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. OI /0000-0003-4969-5571 FU US DoE [DE-NA0001857]; FSC [5-24431]; NLUF [DE-NA0002035]; LLE [415935-G]; LLNL [B597367]; NNSA Stewardship Science Graduate Fellowship [DE-FC52-08NA28752] FX The authors thank R. Frankel and E. Doeg for contributing to the processing of CR-39 data used in this work, as well as the OMEGA operations crew for their help in executing these experiments. This work is presented in partial fulfillment of the first author's Ph.D. thesis and supported in part by US DoE (Grant No. DE-NA0001857), FSC (No. 5-24431), NLUF (No. DE-NA0002035), LLE (No. 415935-G), LLNL (No. B597367), and NNSA Stewardship Science Graduate Fellowship (DE-FC52-08NA28752). NR 48 TC 6 Z9 7 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056311 DI 10.1063/1.4876615 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200120 ER PT J AU Rochau, GA Bailey, JE Falcon, RE Loisel, GP Nagayama, T Mancini, RC Hall, I Winget, DE Montgomery, MH Liedahl, DA AF Rochau, G. A. Bailey, J. E. Falcon, R. E. Loisel, G. P. Nagayama, T. Mancini, R. C. Hall, I. Winget, D. E. Montgomery, M. H. Liedahl, D. A. TI ZAPP: The Z Astrophysical Plasma Properties collaboration SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID RESONANT AUGER DESTRUCTION; Z-PINCH EXPERIMENTS; X-RAY REFLECTION; SOLAR ABUNDANCES; Z-ACCELERATOR; HELIOSEISMOLOGY; SPECTRA; POWER AB The Z Facility at Sandia National Laboratories [Matzen et al., Phys. Plasmas 12, 055503 (2005)] provides MJ-class x-ray sources that can emit powers >0.3 PW. This capability enables benchmark experiments of fundamental material properties in radiation-heated matter at conditions previously unattainable in the laboratory. Experiments on Z can produce uniform, long-lived, and large plasmas with volumes up to 20 cc, temperatures from 1-200 eV, and electron densities from 10(17-23) cc(-1). These unique characteristics and the ability to radiatively heat multiple experiments in a single shot have led to a new effort called the Z Astrophysical Plasma Properties (ZAPP) collaboration. The focus of the ZAPP collaboration is to reproduce the radiation and material characteristics of astrophysical plasmas as closely as possible in the laboratory and use detailed spectral measurements to strengthen models for atoms in plasmas. Specific issues under investigation include the LTE opacity of iron at stellar-interior conditions, photoionization around active galactic nuclei, the efficiency of resonant Auger destruction in black-hole accretion disks, and H-Balmer line shapes in white dwarf photospheres. (C) 2014 AIP Publishing LLC. C1 [Rochau, G. A.; Bailey, J. E.; Falcon, R. E.; Loisel, G. P.; Nagayama, T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Mancini, R. C.; Hall, I.] Univ Nevada, Reno, NV 89557 USA. [Winget, D. E.; Montgomery, M. H.] Univ Texas Austin, Austin, TX 78712 USA. [Liedahl, D. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rochau, GA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy [DE-AC04-94AL85000] FX The authors thank the following collaborators for their critique of the data and many good suggestions on how to improve each experiment: R. Bengtson, C. Blancard, D. Bliss, A. Carlson, J. Colgan, Ph. Cosse, J. Ellis, G. Faussurier, C. Fontes, F. Gilleron, I. Golovkin, M. Gomez, T. Gomez, S. Hansen, C. Iglesias, D. Kilcrease, M. Koepke, R. Leeper, T. Lockard, J. MacFarlane, D. Marks, Y. Maron, S. Moorhead, S. Nahar, T. Nash, C. Orban, J. Pain, M. Pinsonneault, A. Pradhan, M. Sherrill, H. Tierney, and B. Wilson. The authors also thank Keith Matzen and Mark Herrmann for their programmatic support on Z and Alan Wooton for instilling his vision and enthusiasm in this collaboration. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy under Contract No. DE-AC04-94AL85000. NR 53 TC 15 Z9 16 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056308 DI 10.1063/1.4875330 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200117 ER PT J AU Ryutov, DD Cohen, RH Rognlien, TD Soukhanovskii, VA Umansky, MV AF Ryutov, D. D. Cohen, R. H. Rognlien, T. D. Soukhanovskii, V. A. Umansky, M. V. TI Comment on "Magnetic geometry and physics of advanced divertors: The X-divertor and the snowflake" [Phys. Plasmas 20, 102507 (2013)] SO PHYSICS OF PLASMAS LA English DT Editorial Material AB In the recently published paper "Magnetic geometry and physics of advanced divertors: The X-divertor and the snowflake" [Phys. Plasmas 20, 102507 (2013)], the authors raise interesting and important issues concerning divertor physics and design. However, the paper contains significant errors: (a) The conceptual framework used in it for the evaluation of divertor "quality" is reduced to the assessment of the magnetic field structure in the outer Scrape-Off Layer. This framework is incorrect because processes affecting the pedestal, the private flux region and all of the divertor legs (four, in the case of a snowflake) are an inseparable part of divertor operation. (b) The concept of the divertor index focuses on only one feature of the magnetic field structure and can be quite misleading when applied to divertor design. (c) The suggestion to rename the divertor configurations experimentally realized on NSTX (National Spherical Torus Experiment) and DIII-D (Doublet III-D) from snowflakes to X-divertors is not justified: it is not based on comparison of these configurations with the prototypical X-divertor, and it ignores the fact that the NSTX and DIII-D poloidal magnetic field geometries fit very well into the snowflake "two-null" prescription. (C) 2014 AIP Publishing LLC. C1 [Ryutov, D. D.; Cohen, R. H.; Rognlien, T. D.; Soukhanovskii, V. A.; Umansky, M. V.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ryutov, DD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ryutov1@llnl.gov NR 23 TC 3 Z9 3 U1 2 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 054701 DI 10.1063/1.4873404 PG 4 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200079 ER PT J AU Schaeffer, DB Everson, ET Bondarenko, AS Clark, SE Constantin, CG Vincena, S Van Compernolle, B Tripathi, SKP Winske, D Gekelman, W Niemann, C AF Schaeffer, D. B. Everson, E. T. Bondarenko, A. S. Clark, S. E. Constantin, C. G. Vincena, S. Van Compernolle, B. Tripathi, S. K. P. Winske, D. Gekelman, W. Niemann, C. TI Laser-driven, magnetized quasi-perpendicular collisionless shocks on the Large Plasma Device SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID WAVES; EXPANSION; DESIGN; INSTABILITY; FIELD AB The interaction of a laser-driven super-Alfvenic magnetic piston with a large, preformed magnetized ambient plasma has been studied by utilizing a unique experimental platform that couples the Raptor kJ-class laser system [Niemann et al., J. Instrum. 7, P03010 (2012)] to the Large Plasma Device [Gekelman et al., Rev. Sci. Instrum. 62, 2875 (1991)] at the University of California, Los Angeles. This platform provides experimental conditions of relevance to space and astrophysical magnetic collisionless shocks and, in particular, allows a detailed study of the microphysics of shock formation, including piston-ambient ion collisionless coupling. An overview of the platform and its capabilities is given, and recent experimental results on the coupling of energy between piston and ambient ions and the formation of collisionless shocks are presented and compared to theoretical and computational work. In particular, a magnetosonic pulse consistent with a low-Mach number collisionless shock is observed in a quasi-perpendicular geometry in both experiments and simulations. (C) 2014 AIP Publishing LLC. C1 [Schaeffer, D. B.; Everson, E. T.; Bondarenko, A. S.; Clark, S. E.; Constantin, C. G.; Vincena, S.; Van Compernolle, B.; Tripathi, S. K. P.; Gekelman, W.; Niemann, C.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Winske, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schaeffer, DB (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. EM dschaeffer@physics.ucla.edu OI Van Compernolle, Bart/0000-0002-5853-6233 FU National Science Foundation; Department of Energy; Defense Threat Reduction Agency (DTRA) [HDTRA1- 12-1-0024]; DOE Office of Science Early Career Research Program [DE-FOA-0000395] FX We would like to thank the staff of the Large Plasma Device, Z. Lucky, and M. Drandell for their help in carrying out these experiments. This work was performed at the Basic Plasma Science Facility at UCLA, funded by the National Science Foundation and the Department of Energy, and was supported by the Defense Threat Reduction Agency (DTRA) under Contract No. HDTRA1- 12-1-0024 and by the DOE Office of Science Early Career Research Program (DE-FOA-0000395). NR 34 TC 9 Z9 9 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056312 DI 10.1063/1.4876608 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200121 ER PT J AU Smalyuk, VA Barrios, M Caggiano, JA Casey, DT Cerjan, CJ Clark, DS Edwards, MJ Frenje, JA Gatu-Johnson, M Glebov, VY Grim, G Haan, SW Hammel, BA Hamza, A Hoover, DE Hsing, WW Hurricane, O Kilkenny, JD Kline, JL Knauer, JP Kroll, J Landen, OL Lindl, JD Ma, T McNaney, JM Mintz, M Moore, A Nikroo, A Parham, T Peterson, JL Petrasso, R Pickworth, L Pino, JE Raman, K Regan, SP Remington, BA Robey, HF Rowley, DP Sayre, DB Tipton, RE Weber, SV Widmann, K Wilson, DC Yeamans, CB AF Smalyuk, V. A. Barrios, M. Caggiano, J. A. Casey, D. T. Cerjan, C. J. Clark, D. S. Edwards, M. J. Frenje, J. A. Gatu-Johnson, M. Glebov, V. Y. Grim, G. Haan, S. W. Hammel, B. A. Hamza, A. Hoover, D. E. Hsing, W. W. Hurricane, O. Kilkenny, J. D. Kline, J. L. Knauer, J. P. Kroll, J. Landen, O. L. Lindl, J. D. Ma, T. McNaney, J. M. Mintz, M. Moore, A. Nikroo, A. Parham, T. Peterson, J. L. Petrasso, R. Pickworth, L. Pino, J. E. Raman, K. Regan, S. P. Remington, B. A. Robey, H. F. Rowley, D. P. Sayre, D. B. Tipton, R. E. Weber, S. V. Widmann, K. Wilson, D. C. Yeamans, C. B. TI Hydrodynamic instability growth and mix experiments at the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID RAYLEIGH-TAYLOR INSTABILITY; DECELERATION PHASE; PLANAR TARGETS; 3-DIMENSIONAL SIMULATIONS; IMPLOSION EXPERIMENTS; DISPERSION CURVE; LASER; DRIVE; RATES; NOVA AB Hydrodynamic instability growth and its effects on implosion performance were studied at the National Ignition Facility [G. H. Miller, E. I. Moses, and C. R. Wuest, Opt. Eng. 443, 2841 (2004)]. Implosion performance and mix have been measured at peak compression using plastic shells filled with tritium gas and containing embedded localized carbon-deuterium diagnostic layers in various locations in the ablator. Neutron yield and ion temperature of the deuterium-tritium fusion reactions were used as a measure of shell-gas mix, while neutron yield of the tritium-tritium fusion reaction was used as a measure of implosion performance. The results have indicated that the low-mode hydrodynamic instabilities due to surface roughness were the primary culprits for yield degradation, with atomic ablator-gas mix playing a secondary role. In addition, spherical shells with pre-imposed 2D modulations were used to measure instability growth in the acceleration phase of the implosions. The capsules were imploded using ignition-relevant laser pulses, and ablation-front modulation growth was measured using x-ray radiography for a shell convergence ratio of similar to 2. The measured growth was in good agreement with that predicted, thus validating simulations for the fastest growing modulations with mode numbers up to 90 in the acceleration phase. Future experiments will be focused on measurements at higher convergence, higher-mode number modulations, and growth occurring during the deceleration phase. (C) 2014 AIP Publishing LLC. C1 [Smalyuk, V. A.; Barrios, M.; Caggiano, J. A.; Casey, D. T.; Cerjan, C. J.; Clark, D. S.; Edwards, M. J.; Haan, S. W.; Hammel, B. A.; Hamza, A.; Hsing, W. W.; Hurricane, O.; Kroll, J.; Landen, O. L.; Lindl, J. D.; Ma, T.; McNaney, J. M.; Mintz, M.; Parham, T.; Peterson, J. L.; Pickworth, L.; Pino, J. E.; Raman, K.; Remington, B. A.; Robey, H. F.; Rowley, D. P.; Sayre, D. B.; Tipton, R. E.; Weber, S. V.; Widmann, K.; Yeamans, C. B.] Lawrence Livermore Natl Lab, NIF Directorate, Livermore, CA 94550 USA. [Frenje, J. A.; Gatu-Johnson, M.; Petrasso, R.] MIT, Cambridge, MA 02139 USA. [Glebov, V. Y.; Knauer, J. P.; Regan, S. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Grim, G.; Kline, J. L.; Wilson, D. C.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hoover, D. E.; Kilkenny, J. D.; Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA. [Moore, A.] AWE Aldermaston, Reading RG7 4PR, Berks, England. RP Smalyuk, VA (reprint author), Lawrence Livermore Natl Lab, NIF Directorate, Livermore, CA 94550 USA. RI Ma, Tammy/F-3133-2013; OI Ma, Tammy/0000-0002-6657-9604; Kline, John/0000-0002-2271-9919 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 60 TC 27 Z9 28 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056301 DI 10.1063/1.4872026 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200110 ER PT J AU Spizzo, G Vianello, N White, RB Abdullaev, SS Agostini, M Cavazzana, R Ciaccio, G Puiatti, ME Scarin, P Schmitz, O Spolaore, M Terranova, D AF Spizzo, G. Vianello, N. White, R. B. Abdullaev, S. S. Agostini, M. Cavazzana, R. Ciaccio, G. Puiatti, M. E. Scarin, P. Schmitz, O. Spolaore, M. Terranova, D. CA RFX Team TEXTOR Team TI Edge ambipolar potential in toroidal fusion plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID REVERSED-FIELD PINCH; RFX-MOD; MAGNETIC PERTURBATIONS; NEOCLASSICAL TRANSPORT; TOKAMAK PLASMAS; STABILITY AB A series of issues with toroidally confined fusion plasmas are related to the generation of 3D flow patterns by means of edge magnetic islands, embedded in a chaotic field and interacting with the wall. These issues include the Greenwald limit in Tokamaks and reversed-field pinches, the collisionality window for ELM mitigation with the resonant magnetic perturbations (RMPs) in Tokamaks, and edge islands interacting with the bootstrap current in stellarators. Measurements of the 2D map of the edge electric field E-r (r = a, theta, phi) in the RFX reversed-field pinch show that E-r has the same helicity of the magnetic islands generated by a m/n perturbation: in fact, defining the helical angle u = m theta - n phi + omega t, maps show a sinusoidal dependence as a function of u, E-r = (E) over tilde (r) sin u. The associated E x B flow displays a huge convective cell with v(a) not equal 0 which, in RFX and near the Greenwald limit, determines a stagnation point for density and a reversal of the sign of E-r. From a theoretical point of view, the question is how a perturbed toroidal flux of symmetry m/n gives rise to an ambipolar potential Phi = (Phi) over tilde sin u. On the basis of a model developed with the guiding center code ORBIT and applied to RFX and the TEXTOR tokamak, we will show that the presence of an m/n perturbation in any kind of device breaks the toroidal symmetry with a drift proportional to the gyroradius rho, thus larger for ions (rho(i) >> rho(e)). Immediately, an ambipolar potential arises to balance the drifts, with the same symmetry as the original perturbation. C1 [Spizzo, G.; Vianello, N.; Agostini, M.; Puiatti, M. E.; Scarin, P.; Spolaore, M.; Terranova, D.] Euratom ENEA Assoc, Consorzio RFX, I-35127 Padua, Italy. [Spizzo, G.; Vianello, N.; Agostini, M.; Puiatti, M. E.; Scarin, P.; Spolaore, M.; Terranova, D.] CNR, Ist Gas Ionizzati, I-35127 Padua, Italy. [White, R. B.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Abdullaev, S. S.; Schmitz, O.] Assoc EURATOM FZJ, Inst Energieforsch Plasmaphys, Julich, Germany. [Cavazzana, R.] Euratom ENEA Assoc, Consorzio RFX, I-35127 Padua, Italy. [Ciaccio, G.] Univ Padua, Dipartimento Fis, Padua, Italy. RP Spizzo, G (reprint author), Euratom ENEA Assoc, Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy. EM gianluca.spizzo@igi.cnr.it RI Spizzo, Gianluca/B-7075-2009; Vianello, Nicola/B-6323-2008; White, Roscoe/D-1773-2013; OI Spizzo, Gianluca/0000-0001-8586-2168; Vianello, Nicola/0000-0003-4401-5346; White, Roscoe/0000-0002-4239-2685; AGOSTINI, MATTEO/0000-0002-3823-1002 FU European Communities under the contract of Association between EURATOM/ENEA [FU07-CT-2007-00053]; EURATOM/FZJ; U.S. Department of Energy [DE-AC02-09CH11466] FX This work was supported by the European Communities under the contract of Association between EURATOM/ENEA (contract FU07-CT-2007-00053) and EURATOM/FZJ. This work was partially supported by the U.S. Department of Energy Grant DE-AC02-09CH11466. NR 65 TC 10 Z9 10 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056102 DI 10.1063/1.4872173 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200099 ER PT J AU Staebler, GM Kinsey, JE Belli, EA Candy, J Waltz, RE Greenfield, CM Lao, LL Smith, SP Grierson, BA Chrystal, C AF Staebler, G. M. Kinsey, J. E. Belli, E. A. Candy, J. Waltz, R. E. Greenfield, C. M. Lao, L. L. Smith, S. P. Grierson, B. A. Chrystal, C. TI Resolving the mystery of transport within internal transport barriers SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID FLUID MODEL TURBULENCE; DIII-D TOKAMAK; PLASMAS; SIMULATIONS; PERFORMANCE; SHEAR; DISCHARGES; EQUATIONS; REGIMES; PINCH AB The Trapped Gyro-Landau Fluid (TGLF) quasi-linear model [G. M. Staebler, et al., Phys. Plasmas 12, 102508 (2005)], which is calibrated to nonlinear gyrokinetic turbulence simulations, is now able to predict the electron density, electron and ion temperatures, and ion toroidal rotation simultaneously for internal transport barrier (ITB) discharges. This is a strong validation of gyrokinetic theory of ITBs, requiring multiple instabilities responsible for transport in different channels at different scales. The mystery of transport inside the ITB is that momentum and particle transport is far above the predicted neoclassical levels in apparent contradiction with the expectation from the theory of suppression of turbulence by E x B velocity shear. The success of TGLF in predicting ITB transport is due to the inclusion of ion gyro-radius scale modes that become dominant at high E x B velocity shear and to improvements to TGLF that allow momentum transport from gyrokinetic turbulence to be faithfully modeled. (C) 2014 AIP Publishing LLC. C1 [Staebler, G. M.; Belli, E. A.; Candy, J.; Waltz, R. E.; Greenfield, C. M.; Lao, L. L.; Smith, S. P.] Gen Atom Co, San Diego, CA 92186 USA. [Kinsey, J. E.] CompX, Del Mar, CA 92014 USA. [Grierson, B. A.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Chrystal, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Staebler, GM (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. FU US Department of Energy [DE-FG02-95ER54309, DE-FG03-99ER54541, DE-FC02-04ER54698, DE-AC02-09CH11466, DE-FG02-07ER54917] FX This work was supported by the US Department of Energy under DE-FG02-95ER54309, DE-FG03-99ER54541, DE-FC02-04ER54698, DE-AC02-09CH11466, and DE-FG02-07ER54917. NR 40 TC 2 Z9 2 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055902 DI 10.1063/1.4875334 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200093 ER PT J AU Taylor, CN Allain, JP Luitjohan, KE Krstic, PS Dadras, J Skinner, CH AF Taylor, C. N. Allain, J. P. Luitjohan, K. E. Krstic, P. S. Dadras, J. Skinner, C. H. TI Differentiating the role of lithium and oxygen in retaining deuterium on lithiated graphite plasma-facing components SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID FUSION-TEST-REACTOR; ENHANCED PERFORMANCE; IMPURITY CONTROL; LIQUID LITHIUM; TOKAMAK; SURFACE; ADSORPTION; TFTR; REACTIVITY; DEVICES AB Laboratory experiments have been used to investigate the fundamental interactions responsible for deuterium retention in lithiated graphite. Oxygen was found to be present and play a key role in experiments that simulated NSTX lithium conditioning, where the atomic surface concentration can increase to >40% when deuterium retention chemistry is observed. Quantum-classical molecular dynamic simulations elucidated this oxygen-deuterium effect and showed that oxygen retains significantly more deuterium than lithium in a simulated matrix with 20% lithium, 20% oxygen, and 60% carbon. Simulations further show that deuterium retention is even higher when lithium is removed from the matrix. Experiments artificially increased the oxygen content in graphite to similar to 16% and then bombarded with deuterium. X-ray photoelectron spectroscopy showed depletion of the oxygen and no enhanced deuterium retention, thus demonstrating that lithium is essential in retaining the oxygen that thereby retains deuterium. (C) 2014 AIP Publishing LLC. C1 [Taylor, C. N.] Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. [Taylor, C. N.; Allain, J. P.; Luitjohan, K. E.] Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA. [Allain, J. P.] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Krstic, P. S.] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. [Krstic, P. S.; Dadras, J.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Krstic, P. S.] TheoretiK, Knoxville, TN USA. [Dadras, J.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Skinner, C. H.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Taylor, CN (reprint author), Idaho Natl Lab, Fus Safety Program, POB 1625-7113, Idaho Falls, ID 83415 USA. OI Allain, Jean Paul/0000-0003-1348-262X FU U.S. DOE [DE-FG02-08ER54990, DE-AC07-05ID14517]; Laboratory Directed Research and Development (LDRD) program of the Oak Ridge National Laboratory; US DOE [DE AC02-09CH11466] FX C.N.T. acknowledges financial supported by U.S. DOE Contract Nos. DE-FG02-08ER54990 and DE-AC07-05ID14517. J.P.A. acknowledges financial support by U.S. DOE Contract No. DE-FG02-08ER54990. P. S. K. and J.D. acknowledge support of the Laboratory Directed Research and Development (LDRD) program of the Oak Ridge National Laboratory. The computed data were obtained at the DOE computational resources of the NCCS (Jaguar) and at NSF computational resources of the NICS (Kraken). P. S. K. and J.D. acknowledge computer support of the DOE INCITE program and NSF Xsede program. C. S. acknowledges support from US DOE Contract No. DE AC02-09CH11466. NR 46 TC 2 Z9 2 U1 3 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 057101 DI 10.1063/1.4874340 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200138 ER PT J AU Town, RPJ Bradley, DK Kritcher, A Jones, OS Rygg, JR Tommasini, R Barrios, M Benedetti, LR Hopkins, LFB Celliers, PM Doppner, T Dewald, EL Eder, DC Field, JE Glenn, SM Izumi, N Haan, SW Khan, SF Kline, JL Kyrala, GA Ma, T Milovich, JL Moody, JD Nagel, SR Pak, A Peterson, JL Robey, HF Ross, JS Scott, RHH Spears, BK Edwards, MJ Kilkenny, JD Landen, OL AF Town, R. P. J. Bradley, D. K. Kritcher, A. Jones, O. S. Rygg, J. R. Tommasini, R. Barrios, M. Benedetti, L. R. Hopkins, L. F. Berzak Celliers, P. M. Doeppner, T. Dewald, E. L. Eder, D. C. Field, J. E. Glenn, S. M. Izumi, N. Haan, S. W. Khan, S. F. Kline, J. L. Kyrala, G. A. Ma, T. Milovich, J. L. Moody, J. D. Nagel, S. R. Pak, A. Peterson, J. L. Robey, H. F. Ross, J. S. Scott, R. H. H. Spears, B. K. Edwards, M. J. Kilkenny, J. D. Landen, O. L. TI Dynamic symmetry of indirectly driven inertial confinement fusion capsules on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID PHYSICS BASIS; LASER; TARGETS; GAIN AB In order to achieve ignition using inertial confinement fusion it is important to control the growth of low-mode asymmetries as the capsule is compressed. Understanding the time-dependent evolution of the shape of the hot spot and surrounding fuel layer is crucial to optimizing implosion performance. A design and experimental campaign to examine sources of asymmetry and to quantify symmetry throughout the implosion has been developed and executed on the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)]. We have constructed a large simulation database of asymmetries applied during different time intervals. Analysis of the database has shown the need to measure and control the hot-spot shape, areal density distribution, and symmetry swings during the implosion. The shape of the hot spot during final stagnation is measured using time-resolved imaging of the self-emission, and information on the shape of the fuel at stagnation can be obtained from Compton radiography [R. Tommasini et al., Phys. Plasmas 18, 056309 (2011)]. For the first time on NIF, two-dimensional inflight radiographs of gas-filled and cryogenic fuel layered capsules have been measured to infer the symmetry of the radiation drive on the capsule. These results have been used to modify the hohlraum geometry and the wavelength tuning to improve the inflight implosion symmetry. We have also expanded our shock timing capabilities by the addition of extra mirrors inside the re-entrant cone to allow the simultaneous measurement of shock symmetry in three locations on a single shot, providing asymmetry information up to Legendre mode 4. By diagnosing the shape at nearly every step of the implosion, we estimate that shape has typically reduced fusion yield by about 50% in ignition experiments. (C) 2014 AIP Publishing LLC. C1 [Town, R. P. J.; Bradley, D. K.; Kritcher, A.; Jones, O. S.; Rygg, J. R.; Tommasini, R.; Barrios, M.; Benedetti, L. R.; Hopkins, L. F. Berzak; Celliers, P. M.; Doeppner, T.; Dewald, E. L.; Eder, D. C.; Field, J. E.; Glenn, S. M.; Izumi, N.; Haan, S. W.; Khan, S. F.; Ma, T.; Milovich, J. L.; Moody, J. D.; Nagel, S. R.; Pak, A.; Peterson, J. L.; Robey, H. F.; Ross, J. S.; Spears, B. K.; Edwards, M. J.; Kilkenny, J. D.; Landen, O. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kline, J. L.; Kyrala, G. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Scott, R. H. H.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. RP Town, RPJ (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM town2@llnl.gov RI Ma, Tammy/F-3133-2013; IZUMI, Nobuhiko/J-8487-2016; Tommasini, Riccardo/A-8214-2009; OI Ma, Tammy/0000-0002-6657-9604; IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini, Riccardo/0000-0002-1070-3565; Kline, John/0000-0002-2271-9919 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and by Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 40 TC 37 Z9 39 U1 2 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056313 DI 10.1063/1.4876609 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200122 ER PT J AU Walk, JR Hughes, JW Hubbard, AE Terry, JL Whyte, DG White, AE Baek, SG Reinke, ML Theiler, C Churchill, RM Rice, JE Snyder, PB Osborne, T Dominguez, A Cziegler, I AF Walk, J. R. Hughes, J. W. Hubbard, A. E. Terry, J. L. Whyte, D. G. White, A. E. Baek, S. G. Reinke, M. L. Theiler, C. Churchill, R. M. Rice, J. E. Snyder, P. B. Osborne, T. Dominguez, A. Cziegler, I. TI Edge-localized mode avoidance and pedestal structure in I-mode plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID ALCATOR-C-MOD; H-MODE; TRANSPORT BARRIER; BALLOONING MODES; PARTICLE LOSSES; STABILITY; ELMS; ITER; INSTABILITIES; CONFINEMENT AB I-mode is a high-performance tokamak regime characterized by the formation of a temperature pedestal and enhanced energy confinement, without an accompanying density pedestal or drop in particle and impurity transport. I-mode operation appears to have naturally occurring suppression of large Edge-Localized Modes (ELMs) in addition to its highly favorable scalings of pedestal structure and overall performance. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Analysis of I-mode discharges prepared with high-resolution pedestal data from the most recent C-Mod campaign reveals favorable pedestal scalings for extrapolation to large machines-pedestal temperature scales strongly with power per particle P-net/(n) over bar (e), and likewise pedestal pressure scales as the net heating power (consistent with weak degradation of confinement with heating power). Matched discharges in current, field, and shaping demonstrate the decoupling of energy and particle transport in I-mode, increasing fueling to span nearly a factor of two in density while maintaining matched temperature pedestals with consistent levels of P-net/(n) over bar (e). This is consistent with targets for increased performance in I-mode, elevating pedestal beta(p) and global performance with matched increases in density and heating power. MHD calculations using the ELITE code indicate that I-mode pedestals are strongly stable to edge peeling-ballooning instabilities. Likewise, numerical modeling of the KBM turbulence onset, as well as scalings of the pedestal width with poloidal beta, indicates that I-mode pedestals are not limited by KBM turbulence-both features identified with the trigger for large ELMs, consistent with the observed suppression of large ELMs in I-mode. (C) 2014 AIP Publishing LLC. C1 [Walk, J. R.; Hughes, J. W.; Hubbard, A. E.; Terry, J. L.; Whyte, D. G.; White, A. E.; Baek, S. G.; Reinke, M. L.; Theiler, C.; Churchill, R. M.; Rice, J. E.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Snyder, P. B.; Osborne, T.] Gen Atom Co, San Diego, CA 92186 USA. [Dominguez, A.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Cziegler, I.] Univ Calif San Diego, Ctr Momentum Transport & Flow Org, La Jolla, CA 92093 USA. RP Walk, JR (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jrwalk@psfc.mit.edu OI Theiler, Christian/0000-0003-3926-1374 FU US DOE [DE-FC02-99ER54512, DE-FG02-99ER54309] FX Experimental work on Alcator C-Mod was supported by US DOE Agreement No. DE-FC02-99ER54512. Theory work at General Atomics was supported by US DOE agreement DE-FG02-99ER54309. The authors also wish to acknowledge the efforts of the Alcator C-Mod group for supporting the experiments reported here. NR 51 TC 11 Z9 11 U1 6 U2 23 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056103 DI 10.1063/1.4872220 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200100 ER PT J AU Xi, PW Xu, XQ Diamond, PH AF Xi, P. W. Xu, X. Q. Diamond, P. H. TI The impact of pedestal turbulence and electron inertia on edge-localized-mode crashes SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID HIGH-TEMPERATURE PLASMAS AB We demonstrate that the occurrence of Edge-Localized-Modes (ELM) crashes does not depend only on the linear peeling-ballooning threshold, but also relies on nonlinear processes. Wave-wave interaction constrains the growth time of a mode, thus inducing a shift in the criterion for triggering an ELM crash. An ELM crash requires the P-B growth rate to exceed a critical value gamma > gamma(c), where gamma(c) is set by 1/(tau) over bar (c) and (tau) over bar (c) is the averaged mode phase coherence time. For 0 < gamma < gamma(c), P-B turbulence develops but drives enhanced turbulent transport. We also show that electron inertia dramatically changes the instability threshold when density is low. However, P-B turbulence alone cannot generate enough current transport to allow fast reconnection during an ELM crash. (C) 2014 AIP Publishing LLC. C1 [Xi, P. W.] Peking Univ, FSC, Beijing 100871, Peoples R China. [Xi, P. W.] Peking Univ, State Key Lab Nucl Phys & Technol, Dept Phys, Beijing 100871, Peoples R China. [Xi, P. W.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Xi, P. W.; Xu, X. Q.] WCI Ctr Fus Theory, Natl Fus Res Inst, Taejon, South Korea. [Diamond, P. H.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Diamond, P. H.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Xi, PW (reprint author), Peking Univ, FSC, Beijing 100871, Peoples R China. FU U.S. DoE by LLNL [DE-AC52-7NA27344]; NSFC [10935004, 11261140326]; WCI program of Korea; U.S. DoE FX This work was performed under the auspices of the U.S. DoE by LLNL under Contract No. DE-AC52-7NA27344 and was supported by the NSFC under Grant Nos. 10935004 and 11261140326, the WCI program of Korea, and the CMTFO sponsored by the U.S. DoE. The authors wish to thank useful discussion with X. G. Wang, P. Snyder, F. L. Waelbroeck, H. Zohm, T. Y. Xia, and G. Dif-Pradalier. NR 18 TC 4 Z9 4 U1 2 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 056110 DI 10.1063/1.4875332 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200106 ER PT J AU Yoo, J Yamada, M Ji, HT Jara-Almonte, J Myers, CE AF Yoo, Jongsoo Yamada, Masaaki Ji, Hantao Jara-Almonte, Jonathan Myers, Clayton E. TI Bulk ion acceleration and particle heating during magnetic reconnection in a laboratory plasma SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the APS Division ofPlasma Physics CY NOV 11-14, 2013 CL Denver, CO ID EARTHS MAGNETOPAUSE; COLLISIONLESS; DYNAMICS; SIMULATION; REGION; SYSTEM; FLOWS; PROBE AB Bulk ion acceleration and particle heating during magnetic reconnection are studied in the collisionless plasma of the Magnetic Reconnection Experiment (MRX). The plasma is in the two-fluid regime, where the motion of the ions is decoupled from that of the electrons within the ion diffusion region. The reconnection process studied here is quasi-symmetric since plasma parameters such as the magnitude of the reconnecting magnetic field, the plasma density, and temperature are compatible on each side of the current sheet. Our experimental data show that the in-plane (Hall) electric field plays a key role in ion heating and acceleration. The electrostatic potential that produces the in-plane electric field is established by electrons that are accelerated near the electron diffusion region. The in-plane profile of this electrostatic potential shows a "well" structure along the direction normal to the reconnection current sheet. This well becomes deeper and wider downstream as its boundary expands along the separatrices where the in-plane electric field is strongest. Since the in-plane electric field is 3-4 times larger than the out-of-plane reconnection electric field, it is the primary source of energy for the unmagnetized ions. With regard to ion acceleration, the Hall electric field causes ions near separatrices to be ballistically accelerated toward the outflow direction. Ion heating occurs as the accelerated ions travel into the high pressure downstream region. This downstream ion heating cannot be explained by classical, unmagnetized transport theory; instead, we conclude that ions are heated by re-magnetization of ions in the reconnection exhaust and collisions. Two-dimensional (2-D) simulations with the global geometry similar to MRX demonstrate downstream ion thermalization by the above mechanisms. Electrons are also significantly heated during reconnection. The electron temperature sharply increases across the separatrices and peaks just outside of the electron diffusion region. Unlike ions, electrons acquire energy mostly from the reconnection electric field, and the energy gain is localized near the X-point. However, the increase in the electron bulk flow energy remains negligible. These observations support the assertion that efficient electron heating mechanisms exist around the electron diffusion region and that the heat generated there is quickly transported along the magnetic field due to the high parallel thermal conductivity of electrons. Classical Ohmic dissipation based on the perpendicular Spitzer resistivity is too small to balance the measured heat flux, indicating the presence of anomalous electron heating. (C) 2014 AIP Publishing LLC. C1 [Yoo, Jongsoo; Yamada, Masaaki; Ji, Hantao; Jara-Almonte, Jonathan; Myers, Clayton E.] Princeton Univ, Princeton Plasma Phys Lab, Ctr Magnet Self Org, Princeton, NJ 08543 USA. RP Yoo, J (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Ctr Magnet Self Org, POB 451, Princeton, NJ 08543 USA. RI Yamada, Masaaki/D-7824-2015; OI Yamada, Masaaki/0000-0003-4996-1649; Yoo, Jongsoo/0000-0003-3881-1995; Myers, Clayton/0000-0003-4539-8406 FU DOE [DE-AC0209CH11466]; NASA [NNH11AQ45I] FX This work was supported by DOE Contract No. DE-AC0209CH11466 and NASA program for the MMS mission under the grant No. NNH11AQ45I. The authors thank V. Roytershteyn and W. Daughton for useful discussions regarding the numerical simulations, and R. Cutler for technical support. NR 63 TC 7 Z9 7 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2014 VL 21 IS 5 AR 055706 DI 10.1063/1.4874331 PG 13 WC Physics, Fluids & Plasmas SC Physics GA AI7UY UT WOS:000337107200089 ER PT J AU Appavoo, K Sfeir, MY AF Appavoo, Kannatassen Sfeir, Matthew Y. TI Enhanced broadband ultrafast detection of ultraviolet emission using optical Kerr gating SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID EPITAXIAL THIN-FILMS; SEMICONDUCTOR NANOCRYSTALS; ENERGY-TRANSFER; DYNAMICS; SPECTROSCOPY; RELAXATION; CARRIERS AB We demonstrate a high-sensitivity ultrafast emission spectrometer based on the optical Kerr effect that time resolves emission simultaneously in the ultraviolet and visible ranges. We show that using benzene as the Kerr medium leads to the optimal balance between time-resolution and sensitivity of the optical shutter with low losses due to ultraviolet absorption. Using this medium together with high contrast broadband polarizers and charge-coupled device detection, we achieve efficient detection of emission transients (bandwidth > 1.5 eV) in a time bin of similar to 500 fs. To highlight the distinctive insights that can be gained by resolving complex subpicosecond dynamics in a single experiment, we present UV-visible transient emission spectra of technologically relevant wide bandgap zinc oxide. With an enhanced broadband detection, subpicosecond effects such as thermalization, bandgap renormalization, and carrier trapping can be easily assessed, with ramifications for optoelectronics and energy-related technologies. (C) 2014 AIP Publishing LLC. C1 [Appavoo, Kannatassen; Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sfeir, MY (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM msfeir@bnl.gov OI Sfeir, Matthew/0000-0001-5619-5722 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02 98CH10886] FX Research is carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02 98CH10886. The authors thank C. T. Black and A. Cook for helpful discussions and M. Liu for providing the ZnO NW sample. NR 24 TC 7 Z9 8 U1 5 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2014 VL 85 IS 5 AR 055114 DI 10.1063/1.4873475 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AI7UD UT WOS:000337104600076 PM 24880422 ER PT J AU Li, F Parnell, SR Hamilton, WA Maranville, BB Wang, T Semerad, R Baxter, DV Cremer, JT Pynn, R AF Li, F. Parnell, S. R. Hamilton, W. A. Maranville, B. B. Wang, T. Semerad, R. Baxter, D. V. Cremer, J. T. Pynn, R. TI Superconducting magnetic Wollaston prism for neutron spin encoding SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SCATTERING ANGLE MEASUREMENT; ECHO; FLIPPER; FILM; PERFORMANCE; DESIGN AB A magnetic Wollaston prism can spatially split a polarized neutron beam into two beams with different neutron spin states, in a manner analogous to an optical Wollaston prism. Such a Wollaston prism can be used to encode the trajectory of neutrons into the Larmor phase associated with their spin degree of freedom. This encoding can be used for neutron phase-contrast radiography and in spin echo scattering angle measurement (SESAME). In this paper, we show that magnetic Wollaston prisms with highly uniform magnetic fields and low Larmor phase aberration can be constructed to preserve neutron polarization using high temperature superconducting (HTS) materials. The Meissner effect of HTS films is used to confine magnetic fields produced electromagnetically by current-carrying HTS tape wound on suitably shaped soft iron pole pieces. The device is cooled to similar to 30 K by a closed cycle refrigerator, eliminating the need to replenish liquid cryogens and greatly simplifying operation and maintenance. A HTS film ensures that the magnetic field transition within the prism is sharp, well-defined, and planar due to the Meissner effect. The spin transport efficiency across the device was measured to be similar to 98.5% independent of neutron wavelength and energizing current. The position-dependent Larmor phase of neutron spins was measured at the NIST Center for Neutron Research facility and found to agree well with detailed simulations. The phase varies linearly with horizontal position, as required, and the neutron beam shows little depolarization. Consequently, the device has advantages over existing devices with similar functionality and provides the capability for a large neutron beam (20 mm x 30 mm) and an increase in length scales accessible to SESAME to beyond 10 mu m. With further improvements of the external coupling guide field in the prototype device, a larger neutron beam could be employed. (C) 2014 AIP Publishing LLC. C1 [Li, F.; Parnell, S. R.; Wang, T.; Baxter, D. V.; Pynn, R.] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA. [Hamilton, W. A.; Pynn, R.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37830 USA. [Maranville, B. B.] NIST, Gaithersburg, MD 20899 USA. [Semerad, R.] Ceraco Ceram Coating GmbH, D-85737 Ismaning, Germany. [Cremer, J. T.] Adelphi Technol Inc, Redwood City, CA 94063 USA. RP Li, F (reprint author), Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA. EM fankli@indiana.edu RI Baxter, David /D-3769-2013; OI Baxter, David /0000-0003-2812-0904; Li, Fankang/0000-0001-8859-0102 FU National Science Foundation [DMR-0956741, DMR-0220560, DMR-0320627]; STTR program of the US Department of Energy [DE-SC0009584]; 21st Century Science and Technology fund of Indiana, Indiana University; Department of Defense FX This project is supported by grants from the National Science Foundation (Grant No. DMR-0956741) and from the STTR program of the US Department of Energy (Grant No. DE-SC0009584). We would like to acknowledge the team members of sample environment team at the NCNR, Qiang (Alan) Ye and Yamali Hernandez for the help with the vacuum and cryogenics, Paul J. Stonaha (Indiana University Bloomington, USA) for the useful discussion about the simulation and Hao Feng (Indiana University Bloomington, USA) for the help of winding the coils. We also acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the neutron research facilities used in this work. Construction of LENS was supported by the National Science Foundation grants DMR-0220560 and DMR-0320627, the 21st Century Science and Technology fund of Indiana, Indiana University and the Department of Defense. NR 36 TC 7 Z9 7 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2014 VL 85 IS 5 AR 053303 DI 10.1063/1.4875984 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AI7UD UT WOS:000337104600014 PM 24880360 ER PT J AU Mumgaard, RT Scott, SD Ko, J AF Mumgaard, Robert T. Scott, Steven D. Ko, Jinseok TI Robotic calibration of the motional Stark effect diagnostic on Alcator C-Mod SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RADIAL ELECTRIC-FIELD; CURRENT PROFILES; TOKAMAK; DESIGN; TFTR AB The capability to calibrate diagnostics, such as the Motional Stark Effect (MSE) diagnostic, without using plasma or beam-into-gas discharges will become increasingly important on next step fusion facilities due to machine availability and operational constraints. A robotic calibration system consisting of a motorized three-axis positioning system and a polarization light source capable of generating arbitrary polarization states with a linear polarization angle accuracy of < 0.05 degrees has been constructed and has been used to calibrate the MSE diagnostic deployed on Alcator C-Mod. The polarization response of the complex diagnostic is shown to be fully captured using a Fourier expansion of the detector signals in terms of even harmonics of the input polarization angle. The system's high precision robotic control of position and orientation allow it to be used also to calibrate the geometry of the instrument's view. Combined with careful measurements of the narrow bandpass spectral filters, this system fully calibrates the diagnostic without any plasma discharges. The system's high repeatability, flexibility, and speed has been exploited to quantify several systematics in the MSE diagnostic response, providing a more complete understanding of the diagnostic performance. (C) 2014 AIP Publishing LLC. C1 [Mumgaard, Robert T.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Scott, Steven D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ko, Jinseok] Natl Fus Res Inst, Taejon 305806, South Korea. RP Mumgaard, RT (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM mumgaard@psfc.mit.edu FU USDOE [DE-FC02-99-ER54512, DE-AC02-09CH11466, DE-FG03-96-ER54373] FX The authors would like to thank Igor Bespamyatnov, Bill Rowan, and Ken Liao at the Fusion Research Center at the University of Texas at Austin for their assistance measuring the bandpass of the filters. This work was supported by the USDOE under Contract Nos. DE-FC02-99-ER54512 and DE-AC02-09CH11466 and DE-FG03-96-ER54373. NR 30 TC 7 Z9 7 U1 3 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2014 VL 85 IS 5 AR 053505 DI 10.1063/1.4873332 PG 12 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AI7UD UT WOS:000337104600021 PM 24880367 ER PT J AU Siefert, JA David, SA AF Siefert, J. A. David, S. A. TI Weldability and weld performance of candidate austenitic alloys for advanced ultrasupercritical fossil power plants SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Review DE Austenitic alloys; Fossil energy; Solidification mode; Ferrite number; Hot cracking; Ferrite morphology; Dissimilar welds; Constitutional diagrams ID FERRITE NUMBER PREDICTION; ARTIFICIAL NEURAL-NETWORKS; AFFECTED ZONE LIQUATION; STAINLESS-STEEL WELDS; THICK SECTIONS; AGING BEHAVIOR; ALUMINUM-ALLOY; HAZ CRACKING; PART 2; MODEL AB Advanced ultrasupercritical steam conditions of up to 760 degrees C and 34.5 MPa have been investigated in various programmes around the world over the last two decades. To date, much progress has been made, and three candidate materials, namely ferritic, austenitic and nickel base superalloys, have been investigated for high temperature strength, corrosion resistance and weldability. In an earlier published paper, welding and weldability of ferritic alloys were discussed. This paper considers the unique weldability characteristics for utilisation of austenitic stainless steels in future advanced ultrasupercritical fossil power plant designs and covers topics such as fundamentals of austenitic stainless steel welds, including weldability, filler metals and dissimilar metal welds, and discusses the prognosis for this class of materials for advanced ultrasupercritical fossil fired power plants. C1 [Siefert, J. A.] Elect Power Res Inst, Charlotte, NC 28262 USA. [David, S. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37931 USA. RP David, SA (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37931 USA. EM standavid@charter.net NR 121 TC 6 Z9 6 U1 1 U2 12 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1362-1718 EI 1743-2936 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PD MAY PY 2014 VL 19 IS 4 BP 271 EP 294 DI 10.1179/1362171814Y.0000000197 PG 24 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI8DD UT WOS:000337135100001 ER PT J AU Gierens, RT Laakso, L Mogensen, D Vakkari, V Beukes, JP van Zyl, PG Hakola, H Guenther, A Pienaar, JJ Boy, M AF Gierens, Rosa T. Laakso, Lauri Mogensen, Ditte Vakkari, Ville Beukes, Johan P. van Zyl, Pieter G. Hakola, Hannele Guenther, Alex Pienaar, Jacobus J. Boy, Michael TI Modelling new particle formation events in the South African savannah SO SOUTH AFRICAN JOURNAL OF SCIENCE LA English DT Article DE atmospheric modelling; aerosols; nucleation; boundary layer; savannah ID ATMOSPHERIC BOUNDARY-LAYER; VOLATILE ORGANIC-COMPOUNDS; LEAF-LEVEL MEASUREMENTS; SULFURIC-ACID; TROPOSPHERIC DEGRADATION; ISOPRENE EMISSIONS; AEROSOL; NUCLEATION; MECHANISM; GASES AB Africa is one of the less studied continents with respect to atmospheric aerosols. Savannahs are complex dynamic systems sensitive to climate and land-use changes, but the interaction of these systems with the atmosphere is not well understood. Atmospheric particles, called aerosols, affect the climate on regional and global scales, and are an important factor in air quality. In this study, measurements from a relatively clean savannah environment in South Africa were used to model new particle formation and growth. There already are some combined long-term measurements of trace gas concentrations together with aerosol and meteorological variables available, but to our knowledge this is the first detailed simulation that includes all the main processes relevant to particle formation. The results show that both of the particle formation mechanisms investigated overestimated the dependency of the formation rates on sulphuric acid. From the two particle formation mechanisms tested in this work, the approach that included low volatile organic compounds to the particle formation process was more accurate in describing the nucleation events than the approach that did not. To obtain a reliable estimate of aerosol concentration in simulations for larger scales, nucleation mechanisms would need to include organic compounds, at least in southern Africa. This work is the first step in developing a more comprehensive new particle formation model applicable to the unique environment in southern Africa. Such a model will assist in better understanding and predicting new particle formation -knowledge which could ultimately be used to mitigate impacts of climate change and air quality. C1 [Gierens, Rosa T.; Mogensen, Ditte; Vakkari, Ville; Boy, Michael] Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland. [Laakso, Lauri; Hakola, Hannele] Finnish Meteorol Inst, Res & Dev, FIN-00101 Helsinki, Finland. [Laakso, Lauri; Beukes, Johan P.; van Zyl, Pieter G.; Pienaar, Jacobus J.] North West Univ, Unit Environm Sci & Management, Potchefstroom, South Africa. [Guenther, Alex] Pacific NW Natl Lab, Richland, WA 99352 USA. [Guenther, Alex] Washington State Univ, Pullman, WA 99164 USA. RP Gierens, RT (reprint author), Univ Helsinki, Dept Phys, POB 48, FIN-00014 Helsinki, Finland. EM rosa.gierens@helsinki.fi RI Hakola, Hannele/N-7502-2014; Boy, Michael/C-2920-2015; Beukes, Johan/A-4868-2012; Guenther, Alex/B-1617-2008; OI Boy, Michael/0000-0002-8107-4524; Beukes, Johan/0000-0003-3780-4929; Guenther, Alex/0000-0001-6283-8288; Gierens, Rosa/0000-0002-3879-3099; van Zyl, Pieter/0000-0003-1470-3359; Taipale, Ditte/0000-0002-2023-2461 FU Finnish Center of Excellence in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change, Helsinki University Centre for Environment (HENVI) FX This work was supported by the Finnish Center of Excellence in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change, Helsinki University Centre for Environment (HENVI). The CSC-IT Center for Science Ltd is gratefully acknowledged for computational resources. NR 47 TC 3 Z9 3 U1 1 U2 12 PU ACAD SCIENCE SOUTH AFRICA A S S AF PI LYNWOOD RIDGE PA PO BOX 72135, LYNWOOD RIDGE 0040, SOUTH AFRICA SN 0038-2353 EI 1996-7489 J9 S AFR J SCI JI S. Afr. J. Sci. PD MAY-JUN PY 2014 VL 110 IS 5-6 AR 2013-0108 DI 10.1590/sajs.2014/20130108 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AI8GY UT WOS:000337150100011 ER PT J AU Ade, PAR Aghanim, N Alves, MIR Arnaud, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banday, AJ Barreiro, RB Battaner, E Benabed, K Benoit-Levy, A Bernard, JP Bersanelli, M Bielewicz, P Bobin, J Bonaldi, A Bond, IR Borrill, J Bouchet, FR Boulanger, E Burigana, C Cardoso, JF Casassus, S Catalano, A Chamballu, A Chen, X Chiang, HC Chiang, LY Christensen, PR Clements, DL Colombi, S Colombo, LPL Couchot, F Crill, BP Cuttaia, F Danese, L Davies, RD Davis, RJ de Bernardis, P de Rosa, A de Zotti, G Delabrouille, J Desert, FX Dickinson, C Diego, JM Donzelli, S Dore, O Dupac, X Ensslin, TA Eriksen, HK Finelli, F Forni, O Franceschi, E Galeotta, S Ganga, K Genova-Santos, RT Ghosh, T Giard, M Gonzalez-Nuevo, J Gorski, KM Gregorio, A Gruppuso, A Hansen, EK Harrison, DL Helou, G Hernandez-Monteagudo, C Hildebrandt, SR Hivon, E Hobson, M Hornstrup, A Jaffe, AH Jaffe, TR Jones, WC Keihanen, E Keskitalo, R Kneissl, R Knoche, I Kunz, M Kurki-Suonio, H Lahteenmaki, A Lamarre, JM Lasenby, A Lawrence, CR Leonardi, R Liguori, M Lilje, PB Linden-Vornle, M Lopez-Caniego, M Macias-Perez, JF Maffei, B Maino, D Mandolesi, N Marshall, DJ Martin, PG Martinez-Gonzalez, E Masi, S Massardi, M Matarrese, S Mazzotta, P Meinhold, PR Melchiorri, A Mendes, L Mennella, A Migliaccio, M Miville-Deschenes, MA Moneti, A Montier, L Morgante, G Mortlock, D Munshi, D Naselsky, P Nati, F Natoli, P Norgaard-Nielsen, HU Noviello, F Novikov, D Novikov, I Oxborrow, CA Pagano, L Pajot, F Paladini, R Paoletti, D Patanchon, G Pearson, TJ Peel, M Perdereau, O Perrotta, F Piacentini, F Piat, M Pierpaoli, E Pietrobon, D Plaszczynski, S Pointecouteau, E Polenta, G Ponthieu, N Popa, L Pratt, GW Prunet, S Puget, JL Rachen, JP Rebolo, R Reich, W Reinecke, M Remazeilles, M Renault, C Ricciardi, S Riller, T Ristorcelli, I Rocha, G Rosset, C Roudier, G Rubino-Martin, JA Rusholme, B Sandri, M Savini, G Scott, D Spencer, D Stolyarov, V Sutton, D Suur-Uski, AS Sygnet, JF Tauber, JA Tavagnacco, D Terenzi, L Tibbs, CT Toffolatti, L Tomasi, M Tristram, M Tucci, M Valenziano, L Valiviita, J Van Tent, B Varis, J Verstraete, L Vielva, P Villa, F Wandelt, BD Watson, R Wilkinson, A Ysard, N Yvon, D Zacchei, A Zonca, A AF Ade, P. A. R. Aghanim, N. Alves, M. I. R. Arnaud, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banday, A. J. Barreiro, R. B. Battaner, E. Benabed, K. Benoit-Levy, A. Bernard, J-P Bersanelli, M. Bielewicz, P. Bobin, J. Bonaldi, A. Bond, I. R. Borrill, J. Bouchet, F. R. Boulanger, E. Burigana, C. Cardoso, J-F Casassus, S. Catalano, A. Chamballu, A. Chen, X. Chiang, H. C. Chiang, L-Y Christensen, P. R. Clements, D. L. Colombi, S. Colombo, L. P. L. Couchot, F. Crill, B. P. Cuttaia, F. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. de Rosa, A. de Zotti, G. Delabrouille, J. Desert, F-X Dickinson, C. Diego, J. M. Donzelli, S. Dore, O. Dupac, X. Ensslin, T. A. Eriksen, H. K. Finelli, F. Forni, O. Franceschi, E. Galeotta, S. Ganga, K. Genova-Santos, R. T. Ghosh, T. Giard, M. Gonzalez-Nuevo, J. Gorski, K. M. Gregorio, A. Gruppuso, A. Hansen, E. K. Harrison, D. L. Helou, G. Hernandez-Monteagudo, C. Hildebrandt, S. R. Hivon, E. Hobson, M. Hornstrup, A. Jaffe, A. H. Jaffe, T. R. Jones, W. C. Keihanen, E. Keskitalo, R. Kneissl, R. Knoche, I. Kunz, M. Kurki-Suonio, H. Lahteenmaki, A. Lamarre, J-M Lasenby, A. Lawrence, C. R. Leonardi, R. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Macias-Perez, J. F. Maffei, B. Maino, D. Mandolesi, N. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Massardi, M. Matarrese, S. Mazzotta, P. Meinhold, P. R. Melchiorri, A. Mendes, L. Mennella, A. Migliaccio, M. Miville-Deschenes, M-A Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Naselsky, P. Nati, F. Natoli, P. Norgaard-Nielsen, H. U. Noviello, F. Novikov, D. Novikov, I. Oxborrow, C. A. Pagano, L. Pajot, F. Paladini, R. Paoletti, D. Patanchon, G. Pearson, T. J. Peel, M. Perdereau, O. Perrotta, F. Piacentini, F. Piat, M. Pierpaoli, E. Pietrobon, D. Plaszczynski, S. Pointecouteau, E. Polenta, G. Ponthieu, N. Popa, L. Pratt, G. W. Prunet, S. Puget, J-L Rachen, J. P. Rebolo, R. Reich, W. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Roudier, G. Rubino-Martin, J. A. Rusholme, B. Sandri, M. Savini, G. Scott, D. Spencer, D. Stolyarov, V. Sutton, D. Suur-Uski, A-S Sygnet, J-F Tauber, J. A. Tavagnacco, D. Terenzi, L. Tibbs, C. T. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Valenziano, L. Valiviita, J. Van Tent, B. Varis, J. Verstraete, L. Vielva, P. Villa, F. Wandelt, B. D. Watson, R. Wilkinson, A. Ysard, N. Yvon, D. Zacchei, A. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XV. A study of anomalous microwave emission in Galactic clouds SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE HII regions; radiation mechanisms: general; radio continuum: ISM; submillimeter: ISM ID SPINNING DUST EMISSION; PROBE WMAP OBSERVATIONS; H-II REGIONS; PRE-LAUNCH STATUS; CENTIMETER-WAVE CONTINUUM; GHZ SKY SURVEY; ANISOTROPY-PROBE; MOLECULAR CLOUDS; FOREGROUND EMISSION; STAR-FORMATION AB Anomalous microwave emission (AME) is believed to be due to electric dipole radiation from small spinning dust grains. The aim of this paper is a statistical study of the basic properties of AME regions and the environment in which they emit. We used WMAP and Planck maps, combined with ancillary radio and IR data, to construct a sample of 98 candidate AME sources, assembling SEDs for each source using aperture photometry on 1 degrees-smoothed maps from 0.408 GHz up to 3000 GHz. Each spectrum is fitted with a simple model of free-free, synchrotron (where necessary), cosmic microwave background (CMB), thermal dust, and spinning dust components. We find that 42 of the 98 sources have significant (>5 sigma) excess emission at frequencies between 20 and 60 GHz. An analysis of the potential contribution of optically thick free-free emission from ultra-compact H II regions, using IR colour criteria, reduces the significant AME sample to 27 regions. The spectrum of the AME is consistent with model spectra of spinning dust. Peak frequencies are in the range 20-35 GHz except for the California nebula (NGC1499), which appears to have a high spinning dust peak frequency of (50 +/- 17) GHz. The AME regions tend to be more spatially extended than regions with little or no AME. The AME intensity is strongly correlated with the sub-millimetre/IR flux densities and comparable to previous AME detections in the literature. AME emissivity, defined as the ratio of AME to dust optical depth, varies by an order of magnitude for the AME regions. The AME regions tend to be associated with cooler dust in the range 14-20K and an average emissivity index, beta(d), of + 1.8, while the non-AME regions are typically warmer, at 20-27 K. In agreement with previous studies, the AME emissivity appears to decrease with increasing column density. This supports the idea of AME originating from small grains that are known to be depleted in dense regions, probably due to coagulation onto larger grains. We also find a correlation between the AME emissivity (and to a lesser degree the spinning dust peak frequency) and the intensity of the interstellar radiation field, G(0). Modelling of this trend suggests that both radiative and collisional excitation are important for the spinning dust emission. The most significant AME regions tend to have relatively less ionized gas (free-free emission), although this could be a selection effect. The infrared excess, a measure of the heating of dust associated with H II regions, is typically >4 for AME sources, indicating that the dust is not primarily heated by hot OB stars. The AME regions are associated with known dark nebulae and have higher 12 mu m/25 mu m ratios. The emerging picture is that the bulk of the AME is coming from the polycyclic aromatic hydrocarbons and small dust grains from the colder neutral interstellar medium phase. C1 [Cardoso, J-F; Delabrouille, J.; Ganga, K.; Patanchon, G.; Piat, M.; Remazeilles, M.; Rosset, C.; Roudier, G.] Univ Paris Diderot, APC, Sorbonne Paris Cite, CNRS,IN2P3,CEA,Irfu,Observ Paris, F-75205 Paris 13, France. [Lahteenmaki, A.] Aalto Univ, Metsahovi Radio Observ, Aalto 00076, Finland. [Lahteenmaki, A.] Aalto Univ, Dept Radio Sci & Engn, Aalto 00076, Finland. 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R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Battaner, E.] Univ Granada, Fac Ciencias, Dept Fis Teor & Cosmos, E-18071 Granada, Spain. [Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. RP Dickinson, C (reprint author), Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Alan Turing Bldg,Oxford Rd, Manchester M13 9PL, Lancs, England. EM clive.dickinson@manchester.ac.uk RI Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Tomasi, Maurizio/I-1234-2016; Casassus, Simon/I-8609-2016; Novikov, Igor/N-5098-2015; Colombo, Loris/J-2415-2016; Nati, Federico/I-4469-2016; popa, lucia/B-4718-2012; Piacentini, Francesco/E-7234-2010; Atrio-Barandela, Fernando/A-7379-2017; Lahteenmaki, Anne/L-5987-2013; Yvon, Dominique/D-2280-2015; Martinez-Gonzalez, Enrique/E-9534-2015; Toffolatti, Luigi/K-5070-2014; Lopez-Caniego, Marcos/M-4695-2013; Gonzalez-Nuevo, Joaquin/I-3562-2014; Pearson, Timothy/N-2376-2015; Gruppuso, Alessandro/N-5592-2015; Bobin, Jerome/P-3729-2014; Battaner, Eduardo/P-7019-2014; Vielva, Patricio/F-6745-2014; Barreiro, Rita Belen/N-5442-2014; Novikov, Dmitry/P-1807-2015; Stolyarov, Vladislav/C-5656-2017; Remazeilles, Mathieu/N-1793-2015; OI Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; Kurki-Suonio, Hannu/0000-0002-4618-3063; Tomasi, Maurizio/0000-0002-1448-6131; Colombo, Loris/0000-0003-4572-7732; Nati, Federico/0000-0002-8307-5088; Piacentini, Francesco/0000-0002-5444-9327; Atrio-Barandela, Fernando/0000-0002-2130-2513; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Toffolatti, Luigi/0000-0003-2645-7386; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Pearson, Timothy/0000-0001-5213-6231; Gruppuso, Alessandro/0000-0001-9272-5292; Bobin, Jerome/0000-0003-1457-7890; Vielva, Patricio/0000-0003-0051-272X; Barreiro, Rita Belen/0000-0002-6139-4272; Stolyarov, Vladislav/0000-0001-8151-828X; Rubino-Martin, Jose Alberto/0000-0001-5289-3021; De Zotti, Gianfranco/0000-0003-2868-2595; Sandri, Maura/0000-0003-4806-5375; Franceschi, Enrico/0000-0002-0585-6591; Valenziano, Luca/0000-0002-1170-0104; Morgante, Gianluca/0000-0001-9234-7412; Lopez-Caniego, Marcos/0000-0003-1016-9283; Peel, Mike/0000-0003-3412-2586; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Remazeilles, Mathieu/0000-0001-9126-6266; Matarrese, Sabino/0000-0002-2573-1243; Galeotta, Samuele/0000-0002-3748-5115; WANDELT, Benjamin/0000-0002-5854-8269; Finelli, Fabio/0000-0002-6694-3269; Scott, Douglas/0000-0002-6878-9840; Gregorio, Anna/0000-0003-4028-8785; Polenta, Gianluca/0000-0003-4067-9196; Cuttaia, Francesco/0000-0001-6608-5017; Burigana, Carlo/0000-0002-3005-5796; Bouchet, Francois/0000-0002-8051-2924; Ricciardi, Sara/0000-0002-3807-4043; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379; Zacchei, Andrea/0000-0003-0396-1192; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147; Savini, Giorgio/0000-0003-4449-9416; Pierpaoli, Elena/0000-0002-7957-8993; Watson, Robert/0000-0002-5873-0124 FU NASA Office of Space Science; National Aeronautics and Space Administration; STFC Advanced Fellowship; EU; ERC [307209]; ESA; CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN (Spain); JA (Spain); RES (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); PRACE (EU) FX We thank the anonymous referee for providing useful comments. We thank Justin Jonas for providing the 2326 MHz HartRAO map. We acknowledge the use of the MPIfR Survey Sampler website at http://www.mpifr-bonn.mpg.de/survey.html and the Legacy Archive for Microwave Background Data Analysis (LAMBDA); support for LAMBDA is provided by the NASA Office of Space Science. 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. This research also makes use of the SIMBAD database, operated at the CDS, Strasbourg, France. We acknowledge the use of NASA's SkyView facility (http://skyview.gsfc.nasa.gov) located at NASA Goddard Space Flight Center. C. D. acknowledges an STFC Advanced Fellowship, an EU Marie-Curie IRG grant under the FP7, and an ERC Starting Grant (No. 307209). The development of Planck has been supported by: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN, JA and RES (Spain); Tekes, AoF and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); and PRACE (EU). A description of the Planck Collaboration and a list of its members, including the technical or scientific activities in which they have been involved, can be found at http://www.sciops.esa.int/index.php?project=planck&page=Planck_Collabora tion NR 153 TC 21 Z9 21 U1 3 U2 19 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 MAY PY 2014 VL 565 AR A103 DI 10.1051/0004-6361/201322612 PG 28 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AI3AN UT WOS:000336730900103 ER PT J AU Grinberg, V Pottschmidt, K Bock, M Schmid, C Nowak, MA Uttley, P Tomsick, JA Rodriguez, J Hell, N Markowitz, A Bodaghee, A Bel, MC Rothschild, RE Wilms, J AF Grinberg, V. Pottschmidt, K. Boeck, M. Schmid, C. Nowak, M. A. Uttley, P. Tomsick, J. A. Rodriguez, J. Hell, N. Markowitz, A. Bodaghee, A. Bel, M. Cadolle Rothschild, R. E. Wilms, J. TI Long term variability of Cygnus X-1 VI. Energy-resolved X-ray variability 1999-2011 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE X-rays: binaries; stars: individual: Cygnus X-1; binaries: close ID ACTIVE GALACTIC NUCLEI; BLACK-HOLE CANDIDATES; ACCRETION-EJECTION INSTABILITY; QUASI-PERIODIC OSCILLATIONS; TIMING-EXPLORER OBSERVATION; POWER SPECTRAL COMPONENTS; DEPENDENT TIME LAGS; HARD STATE; XMM-NEWTON; SOFT STATE AB We present the most extensive analysis of Fourier-based X-ray timing properties of the black hole binary Cygnus X-1 to date, based on 12 years of bi-weekly monitoring with RXTE from 1999 to 2011. Our aim is a comprehensive study of timing behavior across all spectral states, including the elusive transitions and extreme hard and soft states. We discuss the dependence of the timing properties on spectral shape and photon energy, and study correlations between Fourier-frequency dependent coherence and time lags with features in the power spectra. Our main results are: (a) The fractional rms in the 0.125-256 Hz range in different spectral states shows complex behavior that depends on the energy range considered. It reaches its maximum not in the hard state, but in the soft state in the Comptonized tail above 10 keV. (b) The shape of power spectra in hard and intermediate states and the normalization in the soft state are strongly energy dependent in the 2.1-15 keV range. This emphasizes the need for an energy-dependent treatment of power spectra and a careful consideration of energy- and mass-scaling when comparing the variability of different source types, e.g., black hole binaries and AGN. PSDs during extremely hard and extremely soft states can be easily confused for energies above similar to 5 keV in the 0.125-256 Hz range. (c) The coherence between energy bands drops during transitions from the intermediate into the soft state but recovers in the soft state. (d) The time lag spectra in soft and intermediate states show distinct features at frequencies related to the frequencies of the main variability components seen in the power spectra and show the same shift to higher frequencies as the source softens. Our results constitute a template for other sources and for physical models for the origin of the X-ray variability. In particular, we discuss how the timing properties of Cyg X-1 can be used to assess the evolution of variability with spectral shape in other black hole binaries. Our results suggest that none of the available theoretical models can explain the full complexity of X-ray timing behavior of Cyg X-1, although several ansatzes with different physical assumptions are promising. C1 [Grinberg, V.; Schmid, C.; Markowitz, A.; Wilms, J.] Univ Erlangen Nurnberg, Dr Karl Remeis Sternwarte & Erlangen Ctr Astropar, D-96049 Bamberg, Germany. [Grinberg, V.; Nowak, M. A.] MIT, Kavli Inst Astrophys, Cambridge, MA 02139 USA. [Pottschmidt, K.] Univ Maryland Baltimore Cty, CRESST, Baltimore, MD 21250 USA. [Pottschmidt, K.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Boeck, M.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Uttley, P.] Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 SJ Amsterdam, Netherlands. [Tomsick, J. A.; Bodaghee, A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Rodriguez, J.] Univ Paris Diderot, CNRS, CEA DSM, Lab AIM,UMR 7158,IRFU SAp, F-91191 Gif Sur Yvette, France. [Hell, N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Markowitz, A.; Rothschild, R. E.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Bel, M. Cadolle] Univ Munich, D-85748 Garching, Germany. RP Grinberg, V (reprint author), Univ Erlangen Nurnberg, Dr Karl Remeis Sternwarte & Erlangen Ctr Astropar, Sternwartstr 7, D-96049 Bamberg, Germany. EM victoria.grinberg@fau.de RI Wilms, Joern/C-8116-2013; OI Wilms, Joern/0000-0003-2065-5410; Rodriguez, Jerome/0000-0002-4151-4468 FU Bundesministerium fur Wirtschaft und Technologie under Deutsches Zentrum fur Luft- und Raumfahrt grants [50 OR 1007, 50 OR 1113]; European Commission [ITN 215212]; LLNL [DE-AC52-07NA27344]; NASA [SV3-73016, NAS8-03060]; NASA/GSFC FX This work has been partially funded by the Bundesministerium fur Wirtschaft und Technologie under Deutsches Zentrum fur Luft- und Raumfahrt grants 50 OR 1007 and 50 OR 1113 and by the European Commission through ITN 215212 "Black Hole Universe". It was partially completed by LLNL under contract DE-AC52-07NA27344, and is supported by NASA grants to LLNL and NASA/GSFC. 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 further acknowledge support from the DFG Cluster of Excellence "Origin and Structure of the Universe" and are grateful for the support by MCB through the Computational Center for Particle and Astrophysics (C2PAP). This research has made use of NASA's Astrophysics Data System Bibliographic Services. We thank John E. Davis for the development of the slxfig module used to prepare all figures in this work and Fritz-Walter Schwarm and Ingo Kreykenbohm for their work on the Remeis computing cluster. This research made use of ISIS functions (isisscripts) provided by ECAP/Remeis observatory and MIT9. Without the hard work by Evan Smith to schedule the Cyg X-1 so uniformly for more than a decade, this paper would not have been possible. V.G. is grateful for the support through the ESAC faculty grant program to support student attendance at the workshop "Spectral/timing properties of accreting objects: from X-ray binaries to AGN" that proved pivotal for the basic idea behind this research. NR 125 TC 14 Z9 14 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD MAY PY 2014 VL 565 AR A1 DI 10.1051/0004-6361/201322969 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AI3AN UT WOS:000336730900001 ER PT J AU Venteris, ER Skaggs, RL Wigmosta, MS Coleman, AM AF Venteris, Erik R. Skaggs, Richard L. Wigmosta, Mark S. Coleman, Andre M. TI A national-scale comparison of resource and nutrient demands for algae-based biofuel production by lipid extraction and hydrothermal liquefaction SO BIOMASS & BIOENERGY LA English DT Article DE Algae biofuel; Sustainability; Flue gas; Nitrogen; Phosphorus; GIS ID CARBON-DIOXIDE RECOVERY; PLANT FLUE-GAS; UNITED-STATES; SALINE GROUNDWATER; FRESH-WATER; MICROALGAE; CAPTURE; AVAILABILITY; BIOMASS; OPTIMIZATION AB Algae's high productivity provides potential resource advantages over other fuel crops. However, demand for land, water, and nutrients must be minimized to avoid impacts on food production. We apply our national-scale open-pond, growth, and resource models to assess several biomass to fuel technological pathways based on Chlorella sp. We compare resource demands between hydrothermal liquefaction (HTL) and lipid extraction (LE) to meet 1.89E+10 and 7.95E+10 L yr(-1) renewable diesel targets. We estimate nutrient demands where post-fuel biomass is consumed as co-products and recycling by anaerobic digestion (AD) or catalytic hydrothermal gasification (CHG). Sites are prioritized based on fuel value relative to a set of site-specific resource costs. The highest priority sites are located along the Gulf of Mexico coast, but potential sites exist nationwide. Compared to LE, HTL reduces land requirements at least 50%, freshwater consumption at least 33%, and saline groundwater by 85%. Without recycling, nitrogen (N) and phosphorous (P) demand is reduced 44%, but remains significant relative to current U.S. agricultural consumption. The most nutrient-efficient pathways are LE + CHG for N and HTL + CHG for P (by 52%). Resource gains for HTL + CHG are offset by a 284% increase in N consumption relative to LE + CHG (with potential for further recycling). Nutrient recycling is essential to effective use of alternative nutrient sources. While modeling of availability and costs remains, for HTL + CHG at the 7.95E+10 L yr(-1) production target, municipal sources can offset up to 20% of N and 49% of P demand and animal manure could potentially satisfy demands. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Venteris, Erik R.; Skaggs, Richard L.; Wigmosta, Mark S.; Coleman, Andre M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Venteris, ER (reprint author), Pacific NW Natl Lab, POB 999,MSIN K9-33,902 Battelle Blvd, Richland, WA 99352 USA. EM erik.venteris@pnnl.gov; richard.skaggs@pnnl.gov; mark.wigmosta@pnnl.gov; andre.coleman@pnnl.gov FU Bioenergy Technologies Office of the U.S. Department of Energy; Pacific Northwest National Laboratory [AC06-76RL0 1830] FX Support for this research was provided by the Bioenergy Technologies Office of the U.S. Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RL0 1830. We express our appreciation to Dr. Michael Huesemann (PNNL) for providing data on growth performance vs. salinity for Chlorella and to Susanne Jones (PNNL) for providing an early review of the manuscript. NR 69 TC 13 Z9 13 U1 6 U2 66 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 EI 1873-2909 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PD MAY PY 2014 VL 64 BP 276 EP 290 DI 10.1016/j.biombioe.2014.02.001 PG 15 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AI3RA UT WOS:000336778400027 ER PT J AU Qu, X Hall, A Klein, SA Caldwell, PM AF Qu, Xin Hall, Alex Klein, Stephen A. Caldwell, Peter M. TI On the spread of changes in marine low cloud cover in climate model simulations of the 21st century SO CLIMATE DYNAMICS LA English DT Article DE Low cloud cover; SST; EIS ID GENERAL-CIRCULATION MODELS; LOWER-TROPOSPHERIC STABILITY; FEEDBACK PROCESSES; SYSTEM MODEL; WATER-VAPOR; IN-SITU; PART I; SENSITIVITY; ATMOSPHERE; VARIABILITY AB In 36 climate change simulations associated with phases 3 and 5 of the Coupled Model Intercomparison Project (CMIP3 and CMIP5), changes in marine low cloud cover (LCC) exhibit a large spread, and may be either positive or negative. Here we develop a heuristic model to understand the source of the spread. The model's premise is that simulated LCC changes can be interpreted as a linear combination of contributions from factors shaping the clouds' large-scale environment. We focus primarily on two factors-the strength of the inversion capping the atmospheric boundary layer (measured by the estimated inversion strength, EIS) and sea surface temperature (SST). For a given global model, the respective contributions of EIS and SST are computed. This is done by multiplying (1) the current-climate's sensitivity of LCC to EIS or SST variations, by (2) the climate-change signal in EIS or SST. The remaining LCC changes are then attributed to changes in greenhouse gas and aerosol concentrations, and other environmental factors. The heuristic model is remarkably skillful. Its SST term dominates, accounting for nearly two-thirds of the intermodel variance of LCC changes in CMIP3 models, and about half in CMIP5 models. Of the two factors governing the SST term (the SST increase and the sensitivity of LCC to SST perturbations), the SST sensitivity drives the spread in the SST term and hence the spread in the overall LCC changes. This sensitivity varies a great deal from model to model and is strongly linked to the types of cloud and boundary layer parameterizations used in the models. EIS and SST sensitivities are also estimated using observational cloud and meteorological data. The observed sensitivities are generally consistent with the majority of models as well as expectations from prior research. Based on the observed sensitivities and the relative magnitudes of simulated EIS and SST changes (which we argue are also physically reasonable), the heuristic model predicts LCC will decrease over the 21st-century. However, to place a strong constraint, for example on the magnitude of the LCC decrease, will require longer observational records and a careful assessment of other environmental factors producing LCC changes. Meanwhile, addressing biases in simulated EIS and SST sensitivities will clearly be an important step towards reducing intermodel spread in simulated LCC changes. C1 [Qu, Xin; Hall, Alex] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA. [Klein, Stephen A.; Caldwell, Peter M.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94551 USA. RP Qu, X (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, POB 951565, Los Angeles, CA 90095 USA. EM xinqu@atmos.ucla.edu RI Caldwell, Peter/K-1899-2014; Hall, Alex/D-8175-2014; Klein, Stephen/H-4337-2016 OI Klein, Stephen/0000-0002-5476-858X FU DOE's Regional and Global Climate Modeling Program under the project "Identifying Robust Cloud Feedbacks in Observations and Model'' [DE-AC52-07NA27344]; United States Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX All authors are supported by DOE's Regional and Global Climate Modeling Program under the project "Identifying Robust Cloud Feedbacks in Observations and Model'' (contract DE-AC52-07NA27344). The work of LLNL authors was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. We acknowledge the modeling groups, the Program for Climate Model Diagnosis and Intercomparison (PCMDI) and the WCRP's Working Group on Coupled Modelling (WGCM) for their roles in making available the WCRP CMIP3 and CMIP5 multi-model datasets. Support of these datasets is provided by the Office of Science, U.S. Department of Energy. We thank Drs. Yunyan Zhang, Mark Zelinka, Florent Brient, Fengpeng Sun and Heng Xiao for many stimulating discussions on the topic and Alexandre Jousse for his help with MODIS data set. We also thank two anonymous reviewers for their constructive comments on the original manuscript. ISCCP cloud data is downloaded from http://www.cgd.ucar.edu/, ERA-Interim data from http://www.ecmwf.int/, NOAA optimum interpolation monthly SST version 2 from http://www.esrl.noaa.gov/. NR 89 TC 32 Z9 32 U1 1 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD MAY PY 2014 VL 42 IS 9-10 BP 2603 EP 2626 DI 10.1007/s00382-013-1945-z PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI6KW UT WOS:000336983900023 ER PT J AU Hao, ZY Mohnen, D AF Hao, Zhangying Mohnen, Debra TI A review of xylan and lignin biosynthesis: Foundation for studying Arabidopsis irregular xylem mutants with pleiotropic phenotypes SO CRITICAL REVIEWS IN BIOCHEMISTRY AND MOLECULAR BIOLOGY LA English DT Review DE Lignin-carbohydrate complexes; pectin; polysaccharides; secondary cell walls; transcription factors ID SECONDARY CELL-WALL; CINNAMYL-ALCOHOL-DEHYDROGENASE; ACID-O-METHYLTRANSFERASE; PHENYLALANINE AMMONIA-LYASE; TRANSGENIC TOBACCO PLANTS; NAC TRANSCRIPTION FACTORS; STATE 2D NMR; CYTOCHROME P450-DEPENDENT MONOOXYGENASE; TRANSMISSION ELECTRON-MICROSCOPY; VASCULAR-RELATED NAC-DOMAIN7 AB Plant cells are surrounded by a carbohydrate-rich extracellular matrix known as the cell wall. Primary cell walls are laid down around dividing and elongating cells and consist largely of the polysaccharides cellulose, hemicelluloses, and pectin along with approximately 10% protein. Specific cells such as xylem vessels and fibers lay down a secondary wall rich in cellulose, hemicellulose, and lignin, with lesser amounts of pectin. Most of the models depict the plant cell wall as a matrix of separate polysaccharides. However, the recent identification of a proteoglycan that contains covalently attached pectin and xylan indicates that at least some of these wall glycans exist as domains within a single glycopolymer and that current models of the wall need to be revised. Furthermore, several cell wall biosynthesis mutants, including the secondary cell wall mutant irregular xylem (irx) 8, are affected in multiple cell wall polymers making it challenging to define the biochemical function of the mutated gene. The goal of this review is to provide a background for studying genes which encode secondary cell wall biosynthetic proteins whose mutation affects multiple wall polymers including xylan and lignin. We first review the phenotypes of the irx mutants and then summarize the current understanding of the structure and synthesis of xylan and lignin along with a review of transcription factors known to affect secondary wall synthesis. This review is intended to serve as a resource for those studying genes that encode proteins involved in the synthesis of plant secondary wall lignin and xylan. C1 [Hao, Zhangying] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. [Mohnen, Debra] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Hao, Zhangying; Mohnen, Debra] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. [Hao, Zhangying; Mohnen, Debra] US DOE, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Mohnen, D (reprint author), Univ Georgia, Complex Carbohydrate Res Ctr, Dept Biochem & Mol Biol, 315 Riverbend Rd, Athens, GA 30602 USA. EM dmohnen@ccrc.uga.edu FU BioEnergy Science Center [DE-AC05-00OR22725]; Office of Biological and Environmental Research in the Department of Energy's Office of Science FX The authors report no conflicts of interest. This work was supported by BioEnergy Science Center grant DE-AC05-00OR22725. The BioEnergy Science Center is a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the Department of Energy's Office of Science. NR 325 TC 22 Z9 23 U1 18 U2 124 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1040-9238 EI 1549-7798 J9 CRIT REV BIOCHEM MOL JI Crit. Rev. Biochem. Mol. Biol. PD MAY-JUN PY 2014 VL 49 IS 3 BP 212 EP 241 DI 10.3109/10409238.2014.889651 PG 30 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI6MR UT WOS:000336989700002 PM 24564339 ER PT J AU Chou, W AF Chou, W. TI Application of fiber laser for a Higgs factory SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Review ID COLLIDER AB This paper proposes a medium size (similar to 6 km) circular Higgs factory based on a photon collider. The recent breakthrough in fiber laser technology by means of a coherent amplifier network makes such a collider feasible and probably also affordable. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Chou, W (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM chou@fnal.gov NR 10 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD MAY PY 2014 VL 223 IS 6 BP 1237 EP 1242 DI 10.1140/epjst/e2014-02178-x PG 6 WC Physics, Multidisciplinary SC Physics GA AI5TS UT WOS:000336932700031 ER PT J AU Kwak, JH Varga, T Peden, CHF Gao, F Hanson, JC Szanyi, J AF Kwak, Ja Hun Varga, Tamas Peden, Charles H. F. Gao, Feng Hanson, Jonathan C. Szanyi, Janos TI Following the movement of Cu ions in a SSZ-13 zeolite during dehydration, reduction and adsorption: A combined in situ TP-XRD, XANES/DRIFTS study SO JOURNAL OF CATALYSIS LA English DT Article DE Cu-SSZ-13; NH3 SCR; XANES; XRD; DRIFTS; Cation movement; Cation coordination ID SELECTIVE CATALYTIC-REDUCTION; EXCHANGED ZSM-5 ZEOLITES; X-RAY-ABSORPTION; NITROGEN MONOXIDE; REDOX CHEMISTRY; EXHAUST-GASES; FTIR SPECTRA; AB-INITIO; OH GROUPS; COPPER AB Cu-SSZ-13 has been shown to possess high activity and superior N-2 formation selectivity in the selective catalytic reduction of NOx under oxygen rich conditions. Here, a combination of synchrotron-based (XRD and XANES) and vibrational (DRIFTS) spectroscopy tools has been used to follow the changes in the location and coordination environment of copper ions in a Cu-SSZ-13 zeolite during calcinations, reduction with CO, and adsorption of CO and H2O. XANES spectra collected during these procedures provide critical information not only on the variation in the oxidation state of the copper species in the zeolite structure, but also on the changes in the coordination environment around these ions as they interact with the framework, and with different adsorbates (H2O and CO). Time-resolved XRD data indicate the movement of copper ions and the consequent variation of the unit cell parameters during dehydration. DRIFT spectra provide information about the adsorbed species present in the zeolite, as well as the oxidation states of and coordination environment around the copper ions. A careful analysis of the asymmetric T-O-T vibrations of the CHA framework perturbed by copper ions in different coordination environments proved to be especially informative. The results of this study will aid the identification of the location, coordination and oxidation states of copper ions obtained during in operando catalytic studies. (C) 2014 Elsevier Inc. All rights reserved. C1 [Kwak, Ja Hun] Ulsan Natl Inst Sci & Technol, Dept Chem Engn, Ulsan 689798, South Korea. [Varga, Tamas] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Peden, Charles H. F.; Gao, Feng; Szanyi, Janos] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. [Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. EM janos.szanyi@pnnl.gov RI Kwak, Ja Hun/J-4894-2014; Hanson, jonathan/E-3517-2010 FU US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program; US DOE, Office of Biological and Environmental Research; US DOE FX Financial support was provided by the US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. Part of this work (sample preparation) was performed in the Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory (PNNL). The EMSL is a national scientific user facility supported by the US DOE, Office of Biological and Environmental Research. PNNL is a multi-program national laboratory operated for the US DOE by Battelle. All of the spectroscopy work reported here was carried out at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory (BNL). NSLS is a national scientific user facility supported by the US DOE. The authors thank Drs. S. Ehrlich and N. Marinkovic for their assistance with the experimental setup and initial measurements on beamline X18A at NSLS. NR 46 TC 34 Z9 35 U1 13 U2 133 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 MAY PY 2014 VL 314 BP 83 EP 93 DI 10.1016/j.jcat.2014.03.003 PG 11 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AI6AJ UT WOS:000336951900009 ER PT J AU Kandel, K Anderegg, JW Nelson, NC Chaudhary, U Slowing, II AF Kandel, Kapil Anderegg, James W. Nelson, Nicholas C. Chaudhary, Umesh Slowing, Igor I. TI Supported iron nanoparticles for the hydrodeoxygenation of microalgal oil to green diesel SO JOURNAL OF CATALYSIS LA English DT Article DE Mesoporous silica nanoparticles; Iron nanoparticles; Fatty acids; Hydrodeoxygenation; Microalgae oil; Green diesel ID ACETIC-ACID REDUCTION; CATALYTIC DEOXYGENATION; SELECTIVE HYDROGENATION; FE NANOPARTICLES; OXIDE CATALYSTS; RANGE ALKANES; FATTY-ACIDS; ACETALDEHYDE; BIOFUELS; KINETICS AB Iron nanoparticles supported on mesoporous silica nanoparticles (Fe-MSN) catalyze the hydrotreatment of fatty acids with high selectivity for hydrodeoxygenation over decarbonylation and hydrocracking. The catalysis is likely to involve a reverse Mars-Van Krevelen mechanism, in which the surface of iron is partially oxidized by the carboxylic groups of the substrate during the reaction. The strength of the metal-oxygen bonds that are formed affects the residence time of the reactants facilitating the successive conversion of carboxyl first into carbonyl and then into alcohol intermediates, thus dictating the selectivity of the process. The selectivity is also affected by the pretreatment of Fe-MSN, the more reduced the catalyst the higher the yield of hydrodeoxygenation product. Fe-MSN catalyzes the conversion of crude microalgal oil into diesel-range hydrocarbons. (c) 2014 Elsevier Inc. All rights reserved. C1 [Kandel, Kapil; Anderegg, James W.; Nelson, Nicholas C.; Chaudhary, Umesh; Slowing, Igor I.] US DOE, Ames Lab, Ames, IA 50011 USA. [Kandel, Kapil; Nelson, Nicholas C.; Chaudhary, Umesh; Slowing, Igor I.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Slowing, II (reprint author), Iowa State Univ, 2756 Gilman Hall, Ames, IA 50011 USA. EM islowing@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 FU U.S. Department of Energy, Office of Basic Energy Sciences; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX This research was supported at the Ames Laboratory by the U.S. Department of Energy, Office of Basic Energy Sciences. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 40 TC 27 Z9 28 U1 10 U2 106 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 MAY PY 2014 VL 314 BP 142 EP 148 DI 10.1016/j.jcat.2014.04.009 PG 7 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AI6AJ UT WOS:000336951900015 ER PT J AU Zheng, Z Christov, IC Stone, HA AF Zheng, Zhong Christov, Ivan C. Stone, Howard A. TI Influence of heterogeneity on second-kind self-similar solutions for viscous gravity currents SO JOURNAL OF FLUID MECHANICS LA English DT Article DE gravity currents; Hele-Shaw flows; porous media ID THIN-FILM EQUATION; POROUS-MEDIA; INTERMEDIATE ASYMPTOTICS; MOVING-BOUNDARY; INCLINED PLANE; FLUID; FLOW; PROPAGATION; LAYERS AB We report experimental, theoretical and numerical results on the effects of horizontal heterogeneities on the propagation of viscous gravity currents. We use two geometries to highlight these effects: (a) a horizontal channel (or crack) whose gap thickness varies as a power-law function of the streamwise coordinate; (b) a heterogeneous porous medium whose permeability and porosity have power-law variations. We demonstrate that two types of self-similar behaviours emerge as a result of horizontal heterogeneity: (a) a first-kind self-similar solution is found using dimensional analysis (scaling) for viscous gravity currents that propagate away from the origin (a point of zero permeability); (b) a second-kind self-similar solution is found using a phase-plane analysis for viscous gravity currents that propagate toward the origin. These theoretical predictions, obtained using the ideas of self-similar intermediate asymptotics, are compared with experimental results and numerical solutions of the governing partial differential equation developed under the lubrication approximation. All three results are found to be in good agreement. C1 [Zheng, Zhong; Christov, Ivan C.; Stone, Howard A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. [Christov, Ivan C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Christov, Ivan C.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Stone, HA (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. EM hastone@princeton.edu RI Christov, Ivan/B-9418-2008 OI Christov, Ivan/0000-0001-8531-0531 FU Princeton Carbon Mitigation Initiative; National Science Foundation (NSF) [DMS-1104047]; LANL/LDRD Program through a Feynman Distinguished Fellowship; US Department of Energy [DE-AC52-06NA25396]; NSF [CBET-1234500] FX We thank the Princeton Carbon Mitigation Initiative for support of this research, N. Hammoud and R. H. Socolow for helpful conversations. I.C.C. was supported by the National Science Foundation (NSF) under Grant No. DMS-1104047 (at Princeton University) and by the LANL/LDRD Program through a Feynman Distinguished Fellowship (at Los Alamos National Laboratory); he thanks C. I. Christov for advice on the construction of the numerical scheme. LANL is operated by Los Alamos National Security, L.L.C. for the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC52-06NA25396. H.A.S. thanks the NSF for partial support under Grant No. CBET-1234500. NR 55 TC 7 Z9 7 U1 0 U2 7 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 MAY PY 2014 VL 747 BP 218 EP 246 DI 10.1017/jfm.2014.148 PG 29 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI3ZU UT WOS:000336805500011 ER PT J AU Garces, NY Meyer, DJ Wheeler, VD Liliental-Weber, Z Gaskill, DK Eddy, CR AF Garces, Nelson Y. Meyer, David J. Wheeler, Virginia D. Liliental-Weber, Zuzanna Gaskill, David K. Eddy, Charles R., Jr. TI Plasma-assisted atomic layer deposition of nanolaminates for gate dielectric applications SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; THIN-FILMS; AL2O3; SEMICONDUCTORS; SURFACE; GROWTH; OXIDES; TIO2 AB Thin [(x)Al2O3 + (y)TiO2] nanolaminates (NLs) films of various TiO2 and Al2O3 volume fractions were deposited on n-Si substrates at 250 degrees C using remote plasma-assisted atomic layer deposition. While the overall thickness of the dielectric was held relatively constant at similar to 16 nm, the relative ratio of Al2O3 to TiO2 in the NL was varied by changing the number of deposition cycles of each component. This permitted the evaluation of changes in the dielectric constant kappa, index of refraction N-f, optical band gap, E-g, and the electrical performance of the resulting oxides. Capacitance-voltage and current-voltage results on 100 mu m diameter circular capacitors were obtained. The data reveals that the high-content TiO2 films show limited evidence of oxide charge trapping and relatively large dielectric constants (k similar to 15) with reduced reverse-biased leakage current, whereas the high-content Al2O3 films offer a larger optical band-gap and excellent insulating character with reduced leakage currents. In addition, the authors present composition assessments of the oxides by x-ray photoelectron spectroscopy, transmission electron microscopy, and electron energy loss spectroscopy. (C) 2014 American Vacuum Society. C1 [Garces, Nelson Y.; Meyer, David J.; Wheeler, Virginia D.; Gaskill, David K.; Eddy, Charles R., Jr.] US Naval Res Lab, Washington, DC 20375 USA. [Garces, Nelson Y.] Sotera Def Solut, Crofton, MD 21114 USA. [Wheeler, Virginia D.] ASEE, Washington, DC 20036 USA. [Liliental-Weber, Zuzanna] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Garces, NY (reprint author), US Naval Res Lab, Washington, DC 20375 USA. EM nelson.garces@nrl.navy.mil FU American Society for Engineering Education Naval Research Laboratory Postdoctoral Fellowship Program; Office of Naval Research; U.S. Department of Energy [DE-AC02-05CH11231]; D. Zapotok at NRL nanoscience institute FX V.D.W. acknowledges the support of the American Society for Engineering Education Naval Research Laboratory Postdoctoral Fellowship Program. Work at the U.S. Naval Research Laboratory was supported by the Office of Naval Research. The work in the Lawrence Berkeley National Laboratory in Berkeley was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The use of the National Center for Electron microscopy at the LBNL is greatly appreciated. Support from D. Zapotok at NRL nanoscience institute is greatly appreciated. NR 40 TC 5 Z9 5 U1 3 U2 10 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2014 VL 32 IS 3 AR 03D101 DI 10.1116/1.4818254 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA AI7IV UT WOS:000337061900001 ER PT J AU Hwang, YH Hsieh, YL Lei, L Li, S Ren, F Pearton, SJ Yadav, A Schwarz, C Shatkhin, M Wang, L Flitsiyan, E Chernyak, L Baca, AG Allerman, AA Sanchez, CA Kravchenko, II AF Hwang, Ya-Hsi Hsieh, Yueh-Ling Lei, Lei Li, Shun Ren, Fan Pearton, Stephen J. Yadav, Anupama Schwarz, Casey Shatkhin, Max Wang, Luther Flitsiyan, Elena Chernyak, Leonid Baca, Albert G. Allerman, Andrew A. Sanchez, Carlos A. Kravchenko, I. I. TI Effect of low dose gamma-irradiation on DC performance of circular nnlGaN/GaN high electron mobility transistors SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID ALGAN/GAN HEMTS; GAN; DEVICES AB The changes in direct current performance of circular-shaped AlGaN/GaN high electron mobility transistors (HEMTs) after Co-60 gamma-irradiation doses of 50, 300, 450, or 700 Gy were measured. The main effects on the HEMTs after irradiation were increases of both drain current and electron mobility. Compton electrons induced from the absorption of the gamma-rays appear to generate donor type defects. Drain current dispersions of similar to 5% were observed during gate lag measurements due to the formation of a virtual gate between the gate and drain resulting from the defects generated during gamma-irradiation. (C) 2014 American Vacuum Society. C1 [Hwang, Ya-Hsi; Hsieh, Yueh-Ling; Lei, Lei; Li, Shun; Ren, Fan] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. [Pearton, Stephen J.] Univ Florida, Gainesville, FL 32611 USA. [Yadav, Anupama; Schwarz, Casey; Shatkhin, Max; Wang, Luther; Flitsiyan, Elena; Chernyak, Leonid] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Baca, Albert G.; Allerman, Andrew A.; Sanchez, Carlos A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kravchenko, I. I.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. RP Hwang, YH (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. EM fren@che.ufl.edu RI Kravchenko, Ivan/K-3022-2015 OI Kravchenko, Ivan/0000-0003-4999-5822 FU U.S. DOD HDTRA [1-11-1-0020]; Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy FX The work performed at UF is supported by an U.S. DOD HDTRA Grant No. 1-11-1-0020 monitored by James Reed. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which was sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 17 TC 3 Z9 3 U1 0 U2 5 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2014 VL 32 IS 3 AR 031203 DI 10.1116/1.4868632 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA AI7IV UT WOS:000337061900034 ER PT J AU Haslhofer, B Sanderson, R Simon, R van de Sompel, H AF Haslhofer, Bernhard Sanderson, Robert Simon, Rainer van de Sompel, Herbert TI Open annotations on multimedia Web resources SO MULTIMEDIA TOOLS AND APPLICATIONS LA English DT Article DE Annotations; Web; Linked data ID ONTOLOGY AB Many Web portals allow users to associate additional information with existing multimedia resources such as images, audio, and video. However, these portals are usually closed systems and user-generated annotations are almost always kept locked up and remain inaccessible to the Web of Data. We believe that an important step to take is the integration of multimedia annotations and the Linked Data principles. We present the current state of the Open Annotation Model, explain our design rationale, and describe how the model can represent user annotations on multimedia Web resources. Applying this model in Web portals and devices, which support user annotations, should allow clients to easily publish and consume, thus exchange annotations on multimedia Web resources via common Web standards. C1 [Haslhofer, Bernhard] Cornell Univ, Dept Informat Sci, Ithaca, NY 14850 USA. [Sanderson, Robert; van de Sompel, Herbert] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Simon, Rainer] Austrian Inst Technol, A-1220 Vienna, Austria. RP Haslhofer, B (reprint author), Cornell Univ, Dept Informat Sci, 301 Coll Ave, Ithaca, NY 14850 USA. EM bernhard.haslhofer@cornell.edu; rsanderson@lanl.gov; rainer.simon@ait.ac.at; herbertv@lanl.gov OI Sanderson, Robert/0000-0003-4441-6852; Van de Sompel, Herbert/0000-0002-0715-6126 FU European Commission as part of the eContentplus program (EuropeanaConnect); Marie Curie International Outgoing Fellowship within the 7th Europeana Community Framework Program; Andrew W. Mellon foundation FX The work has partly been supported by the European Commission as part of the eContentplus program (EuropeanaConnect) and by a Marie Curie International Outgoing Fellowship within the 7th Europeana Community Framework Program. The development of OAC is funded by the Andrew W. Mellon foundation. NR 39 TC 4 Z9 4 U1 2 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1380-7501 EI 1573-7721 J9 MULTIMED TOOLS APPL JI Multimed. Tools Appl. PD MAY PY 2014 VL 70 IS 2 BP 847 EP 867 DI 10.1007/s11042-012-1098-9 PG 21 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA AI6OW UT WOS:000336995900014 ER PT J AU Robb, KR Francis, MW Ott, LJ AF Robb, Kevin R. Francis, Matthew W. Ott, Larry J. TI INSIGHT FROM FUKUSHIMA DAIICHI UNIT 3 INVESTIGATIONS USING MELCOR SO NUCLEAR TECHNOLOGY LA English DT Article DE Fukushima Daiichi NPP Unit 3; severe accident; long-term station blackout ID ACCIDENT AB During the emergency response period of the accidents that took place at the Fukushima Daiichi nuclear power plant (NPP) in March of 2011, researchers at Oak Ridge National Laboratory (ORNL) conducted a number of studies using the MELCOR code to help understand what was occurring and what had occurred. During the postaccident period, the U.S. Department of Energy (DOE) and the U.S. Nuclear Regulatory Commission (NRC) jointly sponsored a study of the Fukushima Daiichi NPP accident with collaboration among ORNL, Sandia National Laboratories, and Idaho National Laboratory. The purpose of the study was to compile relevant data, reconstruct the accident progression using computer codes, assess the codes' predictive capabilities, and identify future data needs. The current paper summarizes some of the early MELCOR simulations and analyses conducted at ORNL of the Fukushima Daiichi NPP Unit 3 (1F3) accident. Extended analysis and discussion of the 1F3 accident are also presented taking into account new knowledge and modeling refinements made since the joint DOE-NRC study. C1 [Robb, Kevin R.; Francis, Matthew W.; Ott, Larry J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Robb, KR (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,MS-6167, Oak Ridge, TN 37831 USA. EM robbkr@ornl.gov FU joint DOE-NE/NRC "Fukushima Daiichi Accident Study"; UT-Battelle, LLC [DE-AC05-00OR22725]; DOE FX Development of the 1F3 MELCOR model was supported by the joint DOE-NE/NRC "Fukushima Daiichi Accident Study." This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the DOE. NR 32 TC 0 Z9 0 U1 1 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD MAY PY 2014 VL 186 IS 2 BP 145 EP 160 PG 16 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AI7MA UT WOS:000337073600004 ER PT J AU Gauntt, R Kalinich, D Cardoni, J Phillips, J AF Gauntt, Randall Kalinich, Donald Cardoni, Jeffrey Phillips, Jesse TI MELCOR SIMULATIONS OF THE SEVERE ACCIDENT AT THE FUKUSHIMA DAIICHI UNIT 1 REACTOR SO NUCLEAR TECHNOLOGY LA English DT Article DE Fukushima; severe accident; MELCOR ID CODES; FPT1 AB In response to the accident at the Fukushima Daiichi nuclear power station in Japan, the U.S. Nuclear Regulatory Commission and U.S. Department of Energy agreed to jointly sponsor an accident reconstruction study as a means of assessing the severe accident modeling capability of the MELCOR code and developing an understanding of the likely accident progression. Objectives of the project included reconstruction of the accident progressions using computer models and accident data, and validation of MELCOR and the Fukushima models against plant data. In this study Sandia National Laboratories developed MELCOR 2.1 models of Fukushima Daiichi Units 1 (1F1), 2, and 3 as well as the Unit 4 spent fuel pool. This paper reports on the analysis of the 1F1 accident. Details are presented on the modeled accident progression, hypothesized mode of failures in the reactor pressure vessel (RPV) and containment pressure boundary, and release of fission products to the environment. The MELCOR-predicted RPV and containment pressure trends compare well with available measured pressures. Conditions leading up to the observed explosion of the reactor building are postulated based on this analysis where drywell head flange leakage is thought to have led to accumulation of flammable gases in the refueling bay. The favorable comparison of the results from the analyses with the data from the plant provides additional confidence in MELCOR to reliably predict real-world accident progression. The modeling effort has also provided insights into future data needs for both model development and validation. C1 [Gauntt, Randall; Kalinich, Donald; Cardoni, Jeffrey; Phillips, Jesse] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gauntt, R (reprint author), Sandia Natl Labs, POB 5800,MS 0748, Albuquerque, NM 87185 USA. EM rogaunt@sandia.gov FU Department of Energy (DOE); NRC; DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX The initial development of the 1F1 model used in this work was supported by an accident reconstruction study jointly sponsored by the U.S. Department of Energy (DOE) and NRC. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 12 TC 1 Z9 1 U1 2 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD MAY PY 2014 VL 186 IS 2 BP 161 EP 178 PG 18 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AI7MA UT WOS:000337073600005 ER PT J AU Cardoni, J Gauntt, R Kalinich, D Phillips, J AF Cardoni, Jeffrey Gauntt, Randall Kalinich, Donald Phillips, Jesse TI MELCOR SIMULATIONS OF THE SEVERE ACCIDENT AT FUKUSHIMA DAIICHI UNIT 3 SO NUCLEAR TECHNOLOGY LA English DT Article DE Fukushima; severe accident; MELCOR AB In response to the accident at the Fukushima Daiichi nuclear power station in Japan, the U.S. Nuclear Regulatory Commission and U.S. Department of Energy agreed to jointly sponsor an accident reconstruction study as a means of assessing the severe accident modeling capability of the MELCOR code. Objectives of the project included reconstruction of the accident progressions using computer models and accident data, and validation of the MELCOR code and the Fukushima models against plant data. A MELCOR 2.1 model of the Fukushima Daiichi Unit 3 reactor is developed using plant-specific information and accident-specific boundary conditions, which involve considerable uncertainty due to the inherent nature of severe accidents. Publicly available thermal-hydraulic data and radioactivity release estimates have evolved significantly since the accidents. Such data are expected to continually change as the reactors are decommissioned and more measurements are performed. The MELCOR simulations in this work primarily use boundary conditions that are based on available plant data as of May 2012. C1 [Cardoni, Jeffrey; Gauntt, Randall; Kalinich, Donald; Phillips, Jesse] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cardoni, J (reprint author), Sandia Natl Labs, POB 5800,MS 0748, Albuquerque, NM 87185 USA. EM jncardo@sandia.gov FU U.S. Department of Energy (DOE); NRC; Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX The initial development of the 1F3 model used in this work was supported by an accident reconstruction study jointly sponsored by the U.S. Department of Energy (DOE) and NRC. SNL is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 19 TC 1 Z9 1 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD MAY PY 2014 VL 186 IS 2 BP 179 EP 197 PG 19 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AI7MA UT WOS:000337073600006 ER PT J AU Li, LF Braun, RJ Maki, KL Henshaw, WD King-Smith, PE AF Li, Longfei Braun, R. J. Maki, K. L. Henshaw, W. D. King-Smith, P. E. TI Tear film dynamics with evaporation, wetting, and time-dependent flux boundary condition on an eye-shaped domain SO PHYSICS OF FLUIDS LA English DT Article ID SINGLE-EQUATION MODELS; OCULAR SURFACE; LIPID LAYER; DRY EYE; BLINK CYCLE; PRECORNEAL; THICKNESS; DRAINAGE; BREAKUP; OSMOLARITY AB We study tear film dynamics with evaporation on a wettable eye-shaped ocular surface using a lubrication model. The mathematical model has a time-dependent flux boundary condition that models the cycles of tear fluid supply and drainage; it mimics blinks on a stationary eye-shaped domain. We generate computational grids and solve the nonlinear governing equations using the OVERTURE computational framework. In vivo experimental results using fluorescent imaging are used to visualize the influx and redistribution of tears for an open eye. Results from the numerical simulations are compared with the experiment. The model captures the flow around the meniscus and other dynamic features of human tear film observed in vivo. (C) 2014 AIP Publishing LLC. C1 [Li, Longfei; Braun, R. J.] Univ Delaware, Dept Math Sci, Newark, DE 19716 USA. [Maki, K. L.] Rochester Inst Technol, Sch Math Sci, Rochester, NY 14623 USA. [Henshaw, W. D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [King-Smith, P. E.] Ohio State Univ, Coll Optometry, Columbus, OH 43210 USA. RP Braun, RJ (reprint author), Univ Delaware, Dept Math Sci, Newark, DE 19716 USA. EM braun@math.udel.edu FU National Science Foundation [1022706]; National Institutes of Health [R01-EY017951] FX This material is based upon work supported by the National Science Foundation under Grant No. 1022706 (L.L., R.J.B.) and the National Institutes of Health R01-EY017951 (P.E.K.S.). NR 61 TC 4 Z9 4 U1 4 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD MAY PY 2014 VL 26 IS 5 AR 052101 DI 10.1063/1.4871714 PG 24 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI7TZ UT WOS:000337103900011 PM 24926191 ER PT J AU Mikaelian, KO AF Mikaelian, Karnig O. TI Boussinesq approximation for Rayleigh-Taylor and Richtmyer-Meshkov instabilities SO PHYSICS OF FLUIDS LA English DT Article ID INTERFACE; FLUIDS; ACCELERATION; STABILITY; AMPLITUDE; MODELS AB We apply numerical and analytic techniques to study the Boussinesq approximation in Rayleigh-Taylor and Richtmyer-Meshkov instabilities. In this approximation, one sets the Atwood number A equal to zero except where it multiplies the acceleration g or velocity-jump Delta v. While this approximation is generally applied to low-A systems, we show that it can be applied to high-A systems also in certain regimes and to the "bubble" part of the instability, i.e., the penetration depth of the lighter fluid into the heavier fluid. It cannot be applied to the spike. We extend the Boussinesq approximation for incompressible fluids and show that it always overestimates the penetration depth but the error is never more than about 41%. The effect of compressibility is studied by analytic techniques in the linear regime which indicate that compressibility has the opposite effect and the Boussinesq approximation underestimates bubbles by about 14%. We also present direct numerical simulations of two compressible systems which have approximately the same A Delta v: a low-A air/CO2 system shocked at M-s = 1.57, and a high-A air/SF6 system shocked at M-s = 1.24. While the bubbles are approximately equal, the lower-A system has a shorter (less penetrating) spike; however, because its mushrooms are more tightly wound, the low-A system has the larger interface area. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Mikaelian, KO (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the (U.S.) Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 50 TC 7 Z9 7 U1 4 U2 27 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD MAY PY 2014 VL 26 IS 5 AR 054103 DI 10.1063/1.4874881 PG 16 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI7TZ UT WOS:000337103900031 ER PT J AU Rasthofer, U Burton, GC Wall, WA Gravemeier, V AF Rasthofer, U. Burton, G. C. Wall, W. A. Gravemeier, V. TI Multifractal subgrid-scale modeling within a variational multiscale method for large-eddy simulation of passive-scalar mixing in turbulent flow at low and high Schmidt numbers SO PHYSICS OF FLUIDS LA English DT Article ID FINITE-ELEMENT-METHOD; NAVIER-STOKES EQUATIONS; CHANNEL FLOW; INCOMPRESSIBLE FLOWS; MASS-TRANSFER; NUMERICAL-SIMULATION; TRANSPORT; DISSIPATION; LAMINAR; WALL AB Multifractal subgrid-scalemodeling embedded into a variational multiscale method is proposed for large-eddy simulation of passive-scalar mixing in turbulent incompressible flow. In this subgrid-scale modeling approach, subgrid-scale velocity and scalar field are directly approximated by amultifractal reconstruction process replicating the actual physics of turbulent flows. Problems from low to high Schmidt numbers (i.e., Sc approximate to 1 to Sc >> 1) are considered in this work. Starting from preceding work, in this study, multifractal subgrid-scale modeling is further detailed by refining the approximation process within the scalar field. Thereby, appropriate multifractal subgrid-scale modeling for passive-scalar mixing is derived in comprehensive form for the entire range of Schmidt numbers. The near-wall behavior of the multifractal subgrid-scale modeling approach is investigated for wall-bounded turbulent flows with passive-scalar mixing. The method is validated for passive-scalar mixing in turbulent channel flow for a broad range of Schmidt numbers in between 1 and 1000. Excellent performance is stated for all Schmidt numbers, in particular when comparing the results obtained with the proposed method to results provided by other methods widely used in the literature. An analysis of the subgrid-scale scalar-variance transfer highlights the influence of the multifractal subgrid-scale modeling within the variational multiscale method. The near-wall behavior of the proposed method is investigated via the transfer coefficient, for which results consistent with the theoretical correlation are obtained. (C) 2014 AIP Publishing LLC. C1 [Rasthofer, U.; Wall, W. A.; Gravemeier, V.] Tech Univ Munich, Inst Computat Mech, D-85748 Garching, Germany. [Burton, G. C.] Lawrence Livermore Natl Lab, Computat Engn Div, Thermal Fluids Grp, Turbulence Anal & Simulat Ctr, Livermore, CA 94551 USA. [Wall, W. A.; Gravemeier, V.] AdCo Engn GmbH, D-85748 Garching, Germany. RP Rasthofer, U (reprint author), Tech Univ Munich, Inst Computat Mech, Boltzmannstr 15, D-85748 Garching, Germany. EM vgravem@lnm.mw.tum.de NR 53 TC 3 Z9 3 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD MAY PY 2014 VL 26 IS 5 AR 055108 DI 10.1063/1.4874984 PG 30 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI7TZ UT WOS:000337103900040 ER PT J AU Rivera, MK Aluie, H Ecke, RE AF Rivera, M. K. Aluie, H. Ecke, R. E. TI The direct enstrophy cascade of two-dimensional soap film flows SO PHYSICS OF FLUIDS LA English DT Article ID PARTICLE-TRACKING VELOCIMETRY; LARGE-EDDY SIMULATION; COMPRESSIBLE TURBULENCE; ENERGY; INVARIANCE; VELOCITY; MODELS; HYDRODYNAMICS; CRITERION; DYNAMICS AB We investigate the direct enstrophy cascade of two-dimensional decaying turbulence in a flowing soap film channel. We use a coarse-graining approach that allows us to resolve the nonlinear dynamics and scale-coupling simultaneously in space and in scale. From our data, we verify an exact relation due to Eyink ["Local energy flux and the refined similarity hypothesis,"J. Stat. Phys. 78, 335-351 (1995); Eyink "Exact results on scaling exponents in the 2D enstrophy cascade,"Phys. Rev. Lett. 74, 38003803 (1995)] between traditional 3rd-order structure function and the enstrophy flux obtained by coarse-graining. We also present experimental evidence that enstrophy cascades to smaller (larger) scales with a 60% (40%) probability, in support of theoretical predictions by Merilees and Warn ["On energy and enstrophy exchanges in two-dimensional non-divergent flow," J. Fluid Mech. 69, 625-630 (1975)] which appear to be valid in our flow owing to the ergodic nature of turbulence. We conjecture that their kinematic arguments break down in quasi-laminar 2D flows. We find some support for these ideas by using an Eulerian coherent structure identification technique, which allows us to determine the effect of flow topology on the enstrophy cascade. A key finding is that "centers" are inefficient at transferring enstrophy between scales, in contrast to "saddle" regions which transfer enstrophy to small scales with high efficiency. (C) 2014 AIP Publishing LLC. C1 [Rivera, M. K.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. [Rivera, M. K.; Aluie, H.; Ecke, R. E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Rivera, MK (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, POB 1663, Los Alamos, NM 87545 USA. OI Ecke, Robert/0000-0001-7772-5876 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [W-7405-ENG-36, DE-AC52-06NA25396] FX We thank M. Chertkov, G. Eyink, P. Marcus, T. Shepherd, and B. Shraiman for interesting discussions and useful suggestions. We also thank S. Chen and Z. Xiao for providing us with the numerical data used in the Appendix. We acknowledge helpful comments and suggestions by two anonymous referees. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract Nos. W-7405-ENG-36 and DE-AC52-06NA25396. NR 58 TC 6 Z9 6 U1 2 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD MAY PY 2014 VL 26 IS 5 AR 055105 DI 10.1063/1.4873579 PG 26 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI7TZ UT WOS:000337103900037 ER PT J AU Romero, LA Torczynski, JR von Winckel, G AF Romero, L. A. Torczynski, J. R. von Winckel, G. TI Terminal velocity of a bubble in a vertically vibrated liquid SO PHYSICS OF FLUIDS LA English DT Article ID FREE-BOUNDARY PROBLEMS; ACOUSTIC STANDING-WAVE; STATIONARY SOUND FIELD; NUMERICAL-SOLUTION; FLUID-MECHANICS; VISCOUS-LIQUID; GAS BUBBLE; SPHERICAL BUBBLE; BJERKNES FORCES; REYNOLDS-NUMBER AB We rigorously derive a formula for the terminal velocity of a small bubble in a vertically vibrated viscous incompressible liquid starting from the full Navier-Stokes equations and the exact boundary conditions at the bubble surface. This formula is derived using a perturbation analysis in which the small parameter is the nondimensional amplitude of the pressure oscillation. The analysis does not assume that the bubble remains spherical but does assume that the bubble is axisymmetric. It is shown that the bubble terminal velocity can be computed to second order while computing the full solution only to first order by applying a compatibility condition on the first-order solution. To second order, the bubble terminal velocity is shown to be the net value from an upward steady term and a rectified term that can be downward or upward. The perturbation formula depends on the vibration frequency nondimensionalized by the bubble radius and the liquid kinematic viscosity. We show that our perturbation formula links two heuristically developed formulas for the rectified component, which we denote the velocity-averaged and force-averaged formulas. Our perturbation formula reproduces the velocity-averaged formula for low frequencies and the forced-averaged formula for high frequencies and varies monotonically between these limits for intermediate frequencies. We furthermore develop a high-resolution spectral code specifically to simulate this type of bubble motion. Results from this code verify that the perturbation formula is correct for infinitesimal oscillating pressure amplitudes and suggest that it provides an upper bound for finite amplitudes of the pressure oscillation. (C) 2014 AIP Publishing LLC. C1 [Romero, L. A.] Sandia Natl Labs, Computat Math Dept, Albuquerque, NM 87185 USA. [Torczynski, J. R.] Sandia Natl Labs, Fluid Sci & Engn Dept, Albuquerque, NM 87185 USA. [von Winckel, G.] Univ New Mexico, Ctr High Technol Mat, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA. RP Romero, LA (reprint author), Sandia Natl Labs, Computat Math Dept, MS 1320,POB 5800, Albuquerque, NM 87185 USA. EM lromero@sandia.gov; jrtorcz@sandia.gov; gregvw@chtm.unm.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank T. J. O'Hern and B. Shelden of Sandia National Laboratories for many helpful discussions. NR 53 TC 2 Z9 2 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD MAY PY 2014 VL 26 IS 5 AR 053301 DI 10.1063/1.4873416 PG 32 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI7TZ UT WOS:000337103900018 ER PT J AU Li, X Porcar, L Sanchez-Diaz, LE Do, C Liu, Y Kim, TH Smith, GS Hamilton, WA Hong, KL Chen, WR AF Li, Xin Porcar, Lionel Sanchez-Diaz, Luis E. Do, Changwoo Liu, Yun Kim, Tae-Hwan Smith, Gregory S. Hamilton, William A. Hong, Kunlun Chen, Wei-Ren TI Influence of Molecular Solvation on the Conformation of Star Polymers SO ACS MACRO LETTERS LA English DT Article ID CONCENTRATION-DEPENDENCE; SEMIDILUTE SOLUTIONS; ORDERING PHENOMENA; DYNAMICS; DILUTE; SIMULATIONS; SCATTERING; SYSTEMS AB We have used neutron scattering to investigate the influence of concentration on the conformation of a star polymer. By varying the contrast between the solvent and the isotopically labeled stars, we obtain the distributions of polymer and solvent within a star polymer from analysis of scattering data. A correlation between the local desolvation and the inward folding of star branches is discovered. From the perspective of thermodynamics, we find an analogy between the mechanism of polymer localization driven by solvent depletion and that of the hydrophobic collapse of polymers in solutions. C1 [Li, Xin; Sanchez-Diaz, Luis E.; Do, Changwoo; Smith, Gregory S.; Chen, Wei-Ren] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Hamilton, William A.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA. [Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Porcar, Lionel] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Liu, Yun] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Liu, Yun] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Kim, Tae-Hwan] Korea Atom Energy Res Inst, Res Reactor Utilizat Dept, Taejon 305353, South Korea. RP Hong, KL (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM hongkq@ornl.gov; chenw@ornl.gov RI Liu, Yun/F-6516-2012; Hong, Kunlun/E-9787-2015; Smith, Gregory/D-1659-2016; Do, Changwoo/A-9670-2011 OI Liu, Yun/0000-0002-0944-3153; Hong, Kunlun/0000-0002-2852-5111; Smith, Gregory/0000-0001-5659-1805; Do, Changwoo/0000-0001-8358-8417 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Energy Division; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Research presented in this work is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Energy Division, The EQSANS experiment at Oak Ridge National Laboratory's Spallation Neutron Source is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Synthesis of PS stars used in this research was conducted at the Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. We acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the neutron research facilities used in this work. We also greatly appreciate the support of SANS beamtime from ILL France and HANARO Korea. NR 28 TC 1 Z9 1 U1 1 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD MAY PY 2014 VL 3 IS 5 BP 458 EP 461 DI 10.1021/mz500182m PG 4 WC Polymer Science SC Polymer Science GA AH8WD UT WOS:000336418000013 ER PT J AU He, K Retterer, ST Srijanto, BR Conrad, JC Krishnamoorti, R AF He, Kai Retterer, Scott T. Srijanto, Bernadeta R. Conrad, Jacinta C. Krishnamoorti, Ramanan TI Transport and Dispersion of Nanoparticles in Periodic Nanopost Arrays SO ACS NANO LA English DT Article DE nanoparticles; transport; dispersion; structured media ID POROUS-MEDIA; TRANSVERSE DISPERSION; DIFFUSIVE DYNAMICS; DELIVERY; SEPARATION; NANOCOMPOSITES; PARTICLES; SYSTEMS; BRAIN; BEDS AB Nanoparticles transported through highly confined porous media exhibit faster breakthrough than small molecule tracers. Despite important technological applications in advanced materials, human health, energy, and environment, the microscale mechanisms leading to early breakthrough have not been identified. Here, we measure dispersion of nanoparticles at the single-particle scale in regular arrays of nanoposts and show that for highly confined flows of dilute suspensions of nanoparticles the longitudinal and transverse velocities exhibit distinct scaling behaviors. The distributions of transverse particle velocities become narrower and more non-Gaussian when the particles are strongly confined. As a result, the transverse dispersion of highly confined nanoparticles at low Peclet numbers is significantly less Important than longitudinal dispersion, leading to early breakthrough. This finding suggests a fundamental mechanism by which to control dispersion and thereby Improve efficacy of nanoparticles applied for advanced polymer nanocomposites, drug delivery, hydrocarbon production, and environmental remediation. C1 [He, Kai; Conrad, Jacinta C.; Krishnamoorti, Ramanan] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37934 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, BioSci Div, Oak Ridge, TN 37934 USA. [Srijanto, Bernadeta R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37934 USA. [Srijanto, Bernadeta R.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Conrad, JC (reprint author), Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. EM jcconrad@uh.edu; ramanan@uh.edu RI Retterer, Scott/A-5256-2011; Krishnamoorti, Ramanan/F-7914-2011; Srijanto, Bernadeta/D-4213-2016; Conrad, Jacinta/D-6432-2013 OI Retterer, Scott/0000-0001-8534-1979; Krishnamoorti, Ramanan/0000-0001-5831-502X; Srijanto, Bernadeta/0000-0002-1188-1267; Conrad, Jacinta/0000-0001-6084-4772 FU King Abdullah University of Science and Technology (KAUST) [KUS-C1-018-02]; Gulf of Mexico Research Initiative (Consortium for Ocean Leadership Grant) [SA 12-05/GoMRI-002]; American Chemical Society Petroleum Research Fund [52537-DNI7]; National Science Foundation [DMR-1151133]; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This publication is based on work supported in part by Award No. KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST). R.K. and K.H. acknowledge the partial support of the Gulf of Mexico Research Initiative (Consortium for Ocean Leadership Grant SA 12-05/GoMRI-002). J.C.C. is supported by the American Chemical Society Petroleum Research Fund (52537-DNI7) and the National Science Foundation (DMR-1151133). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 42 TC 12 Z9 12 U1 5 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD MAY PY 2014 VL 8 IS 5 BP 4221 EP 4227 DI 10.1021/nn404497z PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AI1UM UT WOS:000336640600013 PM 24738873 ER PT J AU Li, BS Smilgies, DM Price, AD Huber, DL Clem, PG Fan, HY AF Li, Binsong Smilgies, Detlef-M. Price, Andrew D. Huber, Dale L. Clem, Paul G. Fan, Hongyou TI Poly(N-isopropylacrylamide) Surfactant-Functionalized Responsive Silver Nanoparticles and Superlattices SO ACS NANO LA English DT Article DE PNIPAM; silver nanoparticles; micelles; self-assembly; superlattice; responsive; GISAXS; SPR ID GOLD NANOPARTICLES; N-ISOPROPYLACRYLAMIDE; RESONANCE; ARRAYS; MICELLES; BEHAVIOR; GROWTH AB Metal nanoparticles exhibit unique optical characteristics in visible spectra produced by local surface plasmon resonance (SPR) for a wide range of optical and electronic applications. We report the synthesis of poly(N-isopropylacrylamide) surfactant (PNIPAM-C18)-functionalized metal nanoparticles and ordered superlattice arrays through an interfacial self-assembly process. The method is simple and reliable without using complex chemistry. The PNIPAM-C18-functionalized metal nanoparticles and ordered superlattices exhibit responsive behavior modulated by external temperature and relative humidity (RH). In situ grazing-incidence small-angle X-ray scattering studies confirmed that the superlattice structure of PNIPAM-C18 surfactant-functionalized nanoparticle arrays shrink and spring back reversibly based on external thermal and RH conditions, which allow flexible manipulation of interparticle spacing for tunable SPR. PNIPAM-C18 surfactants play a key role in accomplishing this responsive property. The ease of fabrication of the responsive nanostructure facilitates investigation of nanoparticle coupling that depends on interparticle separation for potential applications In chemical and biological sensors as well as energy storage devices. C1 [Li, Binsong; Price, Andrew D.; Huber, Dale L.; Clem, Paul G.; Fan, Hongyou] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Smilgies, Detlef-M.] Cornell Univ, Wilson Lab, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. [Fan, Hongyou] Univ New Mexico, Dept Chem & Nucl Engn, Ctr Microengn Mat, Albuquerque, NM 87131 USA. RP Huber, DL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dlhuber@sandia.gov; hfan@sandia.gov RI Huber, Dale/A-6006-2008; OI Huber, Dale/0000-0001-6872-8469; Smilgies, Detlef/0000-0001-9351-581X FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF award [DMR-0936384]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. TEM studies were performed in the Department of Earth and Planetary Sciences at University of New Mexico. Part of this work is based upon research conducted at 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. 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 36 TC 12 Z9 12 U1 9 U2 103 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD MAY PY 2014 VL 8 IS 5 BP 4799 EP 4804 DI 10.1021/nn500690h PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AI1UM UT WOS:000336640600070 PM 24702482 ER PT J AU Tosun, M Chuang, S Fang, H Sachid, AB Hettick, M Lin, YJ Zeng, YP Javey, A AF Tosun, Mahmut Chuang, Steven Fang, Hui Sachid, Angada B. Hettick, Mark Lin, Yongjing Zeng, Yuping Javey, Ali TI High-Gain Inverters Based on WSe2 Complementary Field-Effect Transistors SO ACS NANO LA English DT Article DE transition metal dichalcogenides; digital circuits; monolayer semiconductors; complementary logic; CMOS electronics ID TRANSITION-METAL DICHALCOGENIDES; CHEMICALLY DOPED CONTACTS; SINGLE-LAYER MOS2; INTEGRATED-CIRCUITS AB In this work, the operation of n- and p-type field-effect transistors (FETs) on the same WSe2 flake is realized,and a complementary logic inverter is demonstrated. The p-FET is fabricated by contacting WSe2 with a high work function metal, Pt, which facilities hole injection at the source contact. The n-FET is realized by utilizing selective surface charge transfer doping with potassium to form degenerately doped n+ contacts for electron Injection. An ON/OFF current ratio of >10(4) is achieved for both n- and p-FETs with similar ON current densities. A dc voltage gain of >12 is measured for the complementary WSe2 inverter. This work presents an important advance toward realization of complementary logic devices based on layered chalcogenide semiconductors for electronic applications. C1 [Tosun, Mahmut; Chuang, Steven; Fang, Hui; Sachid, Angada B.; Hettick, Mark; Lin, Yongjing; Zeng, Yuping; Javey, Ali] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Tosun, Mahmut; Chuang, Steven; Fang, Hui; Hettick, Mark; Lin, Yongjing; Zeng, Yuping; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Tosun, Mahmut; Chuang, Steven; Fang, Hui; Hettick, Mark; Lin, Yongjing; Zeng, Yuping; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu RI Fang, Hui/I-8973-2014; Javey, Ali/B-4818-2013 OI Fang, Hui/0000-0002-4651-9786; FU Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231]; ATMI, Inc.; Applied Materials, Inc. under the iRICE program FX This work was 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. A.B.S. was funded by ATMI, Inc. and Applied Materials, Inc. under the iRICE program. NR 19 TC 64 Z9 64 U1 10 U2 112 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD MAY PY 2014 VL 8 IS 5 BP 4948 EP 4953 DI 10.1021/nn5009929 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AI1UM UT WOS:000336640600087 PM 24684575 ER PT J AU Chamlagain, B Li, Q Ghimire, NJ Chuang, HJ Perera, MM Tu, HG Xu, Y Pan, M Xaio, D Yan, JQ Mandrus, D Zhou, ZX AF Chamlagain, Bhim Li, Qing Ghimire, Nirmal Jeevi Chuang, Hsun-Jen Perera, Meeghage Madusanka Tu, Honggen Xu, Yong Pan, Minghu Xaio, Di Yan, Jiaqiang Mandrus, David Zhou, Zhixian TI Mobility Improvement and Temperature Dependence in MoSe2 Field-Effect Transistors on Parylene-C Substrate SO ACS NANO LA English DT Article DE field-effect transistor; MoSe2; mobility; surface phonon scattering ID TRANSITION-METAL DICHALCOGENIDES; MONOLAYER MOS2; GRAPHENE; CONTACTS; WSE2; INSULATOR; CRYSTALS AB We report low-temperature scanning tunneling microscopy characterization of MoSe2 crystals and the fabrication and electrical characterization of MoSe2 field-effect transistors on both SiO2 and parylene-C substrates. We find that the multilayer MoSe2 devices on parylene-C show a room-temperature mobility close to the mobility of bulk MoSe2 (100-160 cm(2) V(-1)s(-1)), which is significantly higher than that on SiO2 substrates (approximate to 50 cm(2) V-1 s(-1)). The room-temperature mobility on both types of substrates are nearly thickness-independent. Our variable-temperature transport measurements reveal a metal insulator transition at a characteristic conductivity of e(2)/h. The mobility of MoSe2 devices extracted from the metallic region on both SiO2 and parylene-C increases up to approximate to 500 cm(2) V-1 s(-1) as the temperature decreases to approximate to 100 K, with the mobility of MoSe2 on SiO2 increasing more rapidly. In spite of the notable variation of charged impurities as indicated by the strongly sample-dependent low-temperature mobility, the mobility of all MoSe2 devices on SiO2 converges above 200 K, indicating that the high temperature (>200 K) mobility in these devices is nearly independent of the charged impurities. Our atomic force microscopy study of SiO2 and parylene-C substrates further rules out the surface roughness scattering as a major cause of the substrate-dependent mobility. We attribute the observed substrate dependence of MoSe2 mobility primarily to the surface polar optical phonon scattering originating from the SiO2 substrate, which is nearly absent in MoSe2 devices on parylene-C substrate. C1 [Chamlagain, Bhim; Chuang, Hsun-Jen; Perera, Meeghage Madusanka; Zhou, Zhixian] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. [Li, Qing; Pan, Minghu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Ghimire, Nirmal Jeevi; Yan, Jiaqiang; Mandrus, David] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Ghimire, Nirmal Jeevi; Yan, Jiaqiang; Mandrus, David] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Tu, Honggen; Xu, Yong] Wayne State Univ, Dept Elect & Comp Engn, Detroit, MI 48202 USA. [Xaio, Di] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. RP Zhou, ZX (reprint author), Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. EM zxzhou@wayne.edu RI Mandrus, David/H-3090-2014; Xiao, Di/B-1830-2008; Perera, Meeghage /D-6100-2017; OI Xiao, Di/0000-0003-0165-6848; Chamlagain, Bhim/0000-0002-3412-8323 FU NSF [ECCS-1128297, DMR-1308436]; Center for Nanophase Materials Sciences [CNMS2011-066]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Materials and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by NSF (ECCS-1128297 and DMR-1308436). Part of this research was conducted (M.P., Q.L.) at the Center for Nanophase Materials Sciences under Project #CNMS2011-066, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. N.J.G., D.X., J.Y., and D.M. were supported by Materials and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 40 TC 42 Z9 43 U1 6 U2 123 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD MAY PY 2014 VL 8 IS 5 BP 5079 EP 5088 DI 10.1021/nn501150r PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AI1UM UT WOS:000336640600100 PM 24730685 ER PT J AU Paul, TC Morshed, AKMM Fox, EB Visser, AE Bridges, NJ Khan, JA AF Paul, Titan C. Morshed, A. K. M. M. Fox, Elise B. Visser, Ann E. Bridges, Nicholas J. Khan, Jamil A. TI Buoyancy driven heat transfer behavior of [C(4)mim][NTf2] ionic liquid: An experimental study SO APPLIED THERMAL ENGINEERING LA English DT Article DE Ionic liquid; Density; Viscosity; Heat capacity; Thermal conductivity; Convective heat transfer coefficient; Nusselt number; Rayleigh number ID THERMOPHYSICAL PROPERTIES; NATURAL-CONVECTION; CAPACITIES; FLUIDS; TEMPERATURE; STABILITY; DENSITY; PURE AB This paper presents the experimental results of natural convection heat transfer for 1-butyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyliimide ([C(4)mim][NTf2]) ionic liquid (IL), in rectangular cavity with different aspect ratios. In addition to evaluating the natural convection heat transfer, thermophysical properties of [C4mim][NTf2] such as density, viscosity, heat capacity, and thermal conductivity were also experimentally measured. The results show that the density of [C(4)mim][NTf2] decreases with increased temperature within the investigated temperature range of 10-70 degrees C, the shear viscosity of IL reduces with increasing temperature in an exponential manner within temperature 10-70 degrees C. Its heat capacity increases linearly with temperature from 20 to 300 degrees C, and the thermal conductivity varies from 0.131 to 0.122 W/m K within the measured temperature range. A lower natural convection heat transfer coefficient is observed compared to that of the De-Ionized (DI) water for all aspect ratios (AR). Meanwhile, higher measured dimensionless Nusselt number is observed for the IL than that of DI water due to its lower thermal conductivity (approximately 21% of DI water) and higher viscous force. For the two aspect ratios, larger aspect ratio has higher natural convection heat transfer compared to the lower aspect ratio. Finally, the experimental results of IL for aspect ratios studied are expressed as the conventional natural convection correlation of the form of Nu = cRa(n) with different c and n values. (C) 2014 Published by Elsevier Ltd. C1 [Paul, Titan C.; Morshed, A. K. M. M.; Khan, Jamil A.] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Fox, Elise B.; Visser, Ann E.; Bridges, Nicholas J.] Savannah River Natl Lab, Aiken, SC USA. RP Khan, JA (reprint author), Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. EM khan@cec.sc.edu FU Department of Energy (DOE) Solar Energy Technology Program; U.S. Department of Energy [DEAC09-0851222470] FX The financial support for this research is from the Department of Energy (DOE) Solar Energy Technology Program. Savannah River National Laboratory is operated by Savannah River Nuclear Solutions. This document was prepared in conjunction with work accomplished under Contract No. DEAC09-0851222470 with the U.S. Department of Energy. NR 37 TC 5 Z9 5 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD MAY PY 2014 VL 66 IS 1-2 BP 534 EP 540 DI 10.1016/j.applthermaleng.2014.02.047 PG 7 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA AH7YT UT WOS:000336352000055 ER PT J AU Williams, GJ Hammel, M Radhakrishnan, SK Ramsden, D Lees-Miller, SP Tainer, JA AF Williams, Gareth J. Hammel, Michal Radhakrishnan, Sarvan Kumar Ramsden, Dale Lees-Miller, Susan P. Tainer, John A. TI Structural insights into NHEJ: Building up an integrated picture of the dynamic DSB repair super complex, one component and interaction at a time SO DNA REPAIR LA English DT Article DE NHEJ; SAXS; MRN; X-ray crystallography ID STRAND-BREAK REPAIR; DEPENDENT PROTEIN-KINASE; DNA-LIGASE-IV; X-RAY-SCATTERING; HUMAN XRCC4-XLF COMPLEX; C-TERMINAL REGION; V(D)J RECOMBINATION; CATALYTIC SUBUNIT; POLYNUCLEOTIDE KINASE; CRYSTAL-STRUCTURE AB Non-homologous end joining (NHEJ) is the major pathway for repair of DNA double-strand breaks (DSBs) in human cells. NHEJ is also needed for V(D)J recombination and the development of T and B cells in vertebrate immune systems, and acts in both the generation and prevention of non-homologous chromosomal translocations, a hallmark of genomic instability and many human cancers. X-ray crystal structures, cryo-electron microscopy envelopes, and small angle X-ray scattering (SAXS) solution conformations and assemblies are defining most of the core protein components for NHEJ: Ku70/Ku80 heterodimer; the DNA dependent protein kinase catalytic subunit (DNA-PKcs); the structure-specific endonuclease Artemis along with polynucleotide kinase/phosphatase (PNKP), aprataxin and PNKP related protein (APLF); the scaffolding proteins XRCC4 and XLF (XRCC4-like factor); DNA polymerases, and DNA ligase IV (Lig IV). The dynamic assembly of multi-protein NHEJ complexes at DSBs is regulated in part by protein phosphorylation. The basic steps of NHEJ have been biochemically defined to require: (1) DSB detection by the Ku heterodimer with subsequent DNA-PKcs tethering to form the DNA-PKcs-Ku-DNA complex (termed DNA-PK), (2) lesion processing, and (3) DNA end ligation by Lig IV, which functions in complex with XRCC4 and XLF. The current integration of structures by combined methods is resolving puzzles regarding the mechanisms, coordination and regulation of these three basic steps. Overall, structural results suggest the NHEJ system forms a flexing scaffold with the DNA-PKcs HEAT repeats acting as compressible macromolecular springs suitable to store and release conformational energy to apply forces to regulate NHEJ complexes and the DNA substrate for DNA end protection, processing, and ligation. (C) 2014 Published by Elsevier B.V. C1 [Williams, Gareth J.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Hammel, Michal] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Radhakrishnan, Sarvan Kumar; Lees-Miller, Susan P.] Univ Calgary, Southern Alberta Canc Res Inst, Dept Biochem & Mol Biol, Calgary, AB T2N 4N1, Canada. [Lees-Miller, Susan P.] Univ Calgary, Southern Alberta Canc Res Inst, Dept Oncol, Calgary, AB T2N 4N1, Canada. [Ramsden, Dale] Univ N Carolina, Lineberger Comprehens Canc Ctr, Dept Biochem & Biophys, Chapel Hill, NC 27599 USA. [Tainer, John A.] Scripps Res Inst, Skaggs Inst Chem Biol, Dept Mol Biol, La Jolla, CA 92037 USA. RP Lees-Miller, SP (reprint author), Univ Calgary, Southern Alberta Canc Res Inst, Dept Biochem & Mol Biol, Calgary, AB T2N 4N1, Canada. EM leesmill@ucalgary.ca; jat@scripps.edu FU NCI-NIH [P01, CA92584]; SPLM; DAR [CA84442] FX Work in the authors' laboratories is funded by NCI-NIH P01 grant CA92584 to JAT and SPLM and CA84442 to DAR. NR 136 TC 33 Z9 34 U1 2 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 EI 1568-7856 J9 DNA REPAIR JI DNA Repair PD MAY PY 2014 VL 17 SI SI BP 110 EP 120 DI 10.1016/j.dnarep.2014.02.009 PG 11 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA AI4IS UT WOS:000336829500012 PM 24656613 ER PT J AU Salman, KN Stuart, MA Schmidt, J Borges, T McClain, CJ Robinson, FR Li, M Robertson, LW AF Salman, Kadhim N. Stuart, Mary A. Schmidt, Jack Borges, T. McClain, Craig J. Robinson, Farrel R. Li, Miao Robertson, Larry W. TI The effects of 3,3 ',4,4 '-tetrabromobiphenyl on rats fed diets containing a constant level of copper and varying levels of molybdenum SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Article; Proceedings Paper CT 7th International PCB Workshop - Chemical mixtures in a complex world CY MAY 27-31, 2012 CL Arcachon, FRANCE DE Copper; Molybdenum; Diet; Rats; PBBs; PCBs ID WASTE DISASSEMBLY SITES; SPRAGUE-DAWLEY RATS; TRACE-METALS; INDUCTION; CERULOPLASMIN; TOXICITY; CHINA; PCBS; PBBS; IRON AB Copper (Cu) metabolism is altered in rats fed diets high in molybdenum (Mo) and low in Cu. This 10-week study was carried out to examine the effects of supplemental Mo (7.5-240 mu g/g diet) on male Sprague-Dawley rats fed diets adequate in Cu (5 mu g/g diet) and to determine the susceptibility of Mo-treated animals to the environmental pollutant 3,3 ',4,4 '-tetrabromobiphenyl (TBB). After 7 weeks of dietary treatment, half of the rats in each group received a single IP injection of TBB (150 mu M/kg bw), while the other half received the corn oil vehicle. Rats sacrificed at 10 weeks showed no effects of Mo on growth, feed efficiency, or selected organ or tissue weights. Dose-dependent effects on plasma Mo (0-5.1 mu g/mL), plasma Cu (0.95-0.20 mu g/mL), and bone Cu (3.4-10 mu g/g) in control through the high dose were found. Cu sequestration in the bone of Mo-treated rats is a new finding. TBB treatment resulted in dramatic weight loss and loss of absolute organ mass. Relative organ weights were increased, except for the thymus. TBB altered the concentrations of certain amino acids. Compared to control rats, this polybrominated biphenyl congener significantly decreased plasma Cu and ceruloplasmin at higher concentrations of dietary Mo and promoted the process of plasma Cu decrease by Mo, suggesting a combined effect. C1 [Salman, Kadhim N.; Borges, T.; Robertson, Larry W.] Univ Kentucky, Grad Ctr Toxicol, Lexington, KY 40536 USA. [Stuart, Mary A.] Univ Kentucky, Dept Nutr & Food Sci, Lexington, KY 40506 USA. [Schmidt, Jack] Vet Adm Med Ctr, Dept Med, Lexington, KY 40511 USA. [Borges, T.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [McClain, Craig J.] Univ Louisville, Dept Med, Louisville, KY 40292 USA. [McClain, Craig J.] Univ Louisville, Dept Pharmacol & Toxicol, Louisville, KY 40292 USA. [Robinson, Farrel R.] Purdue Univ, Anim Dis Diagnost Lab, W Lafayette, IN 47907 USA. [Li, Miao; Robertson, Larry W.] Univ Iowa, Interdisciplinary Grad Program Human Toxicol, Iowa City, IA 52242 USA. [McClain, Craig J.] Robley Rex Louisville VAMC, Dept Med, Louisville, KY 40206 USA. [Robertson, Larry W.] Univ Iowa, Coll Publ Hlth, Dept Occupat & Environm Hlth, Iowa City, IA 52242 USA. RP Robertson, LW (reprint author), Univ Iowa, Coll Publ Hlth, Dept Occupat & Environm Hlth, 100 Oakdale Campus 219 IREH, Iowa City, IA 52242 USA. EM larry-robertson@uiowa.edu FU NIEHS NIH HHS [P42 ES013661, P30 ES005605] NR 45 TC 0 Z9 0 U1 0 U2 5 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 EI 1614-7499 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD MAY PY 2014 VL 21 IS 10 BP 6400 EP 6409 DI 10.1007/s11356-013-1638-5 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA AH7LO UT WOS:000336314900014 PM 23532536 ER PT J AU Ouizem, S Pailloux, SL Ray, AD Duesler, EN Dickie, DA Paine, RT Hay, BP AF Ouizem, Sabrina Pailloux, Sylvie L. Ray, Alisha D. Duesler, Eileen N. Dickie, Diane A. Paine, Robert T. Hay, Benjamin P. TI Synthesis and Selected Reactivity Studies of a Dissymmetric (Phosphinoylmethylpyridine N-Oxide) Methylamine Platform SO EUROPEAN JOURNAL OF ORGANIC CHEMISTRY LA English DT Article DE N ligands; Chelates; Ligand design; Lanthanides; Nitrogen oxides ID MM3 FORCE-FIELD; LANTHANIDE COORDINATION CHEMISTRY; STRUCTURE-STABILITY RELATIONSHIP; STRUCTURE-BASED DESIGN; MOLECULAR-MECHANICS; INCLUSION PHENOMENA; BENZOXAZINE DIMERS; STRUCTURAL CRITERIA; SOLVENT-EXTRACTION; CRYSTAL-STRUCTURE AB Efficient syntheses for the precursor molecules, 2-{6-[((diphenylphosphoryl)methyl)pyridin-2-yl]methyl}isoindoline-1,3-dione (2), 2-[(1,3-dioxoisoindolin-2-yl)methyl]-6-[(diphenylphosphoryl)methyl]pyridine 1-oxide (3), and their 6-[bis(2-(trifluoromethyl)phenyl)phosphoryl]methyl analogues are reported along with their transformations into the dissymmetric ligands, [(6-(aminomethyl)pyridin-2-yl)methyl]diphenylphosphine oxide (4), 2-(aminomethyl)-6-[(diphenylphosphoryl)methyl]pyridine 1-oxide (5) and 2-(aminomethyl)-6-{[bis(2-(trifluoromethyl)phenyl)phosphoryl]methyl}pyridine 1-oxide (5-F). Selected reactivity of the aminomethyl substituent of 4 and 5, as well as complexation reactions of several of the compounds with lanthanide(III) ions are described. Molecular structures of three uniquely different complexes, {Pr{2-[HC(O)N(H)CH2]-6-[Ph2P(O)CH2]C5H3NO}(NO3)(3)(MeOH)}(2), {Eu{2-[(Me2N)(2)CN(H+)CH2]-6-[Ph2P(O)CH2]C5H3N(H)(+)}(NO3)(4)(OMe)} and {Er{2-[(C8H4O2)NCH2]-6-[Ph2P(O)CH2]C5H3N(O)}(NO3)(3)(MeOH)}(CH3)(2)CO, have been determined by single-crystal X-ray diffraction methods. The observed and computationally modeled structures that employ bidentate and tridentate ligand/metal interactions are compared. These results suggest further ligand modifications that should provide improved solvent extraction reagents. C1 [Ouizem, Sabrina; Pailloux, Sylvie L.; Ray, Alisha D.; Duesler, Eileen N.; Dickie, Diane A.; Paine, Robert T.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Hay, Benjamin P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Paine, RT (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM rtpaine@unm.edu; haybp@ornl.gov RI Dickie, Diane/B-1647-2010; OI Dickie, Diane/0000-0003-0939-3309; Pailloux, Sylvie/0000-0001-7318-7089 FU U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-03ER15419]; National Science Foundation (NSF) [CHE-0443580, CHE-0840523, CHE-0946690] FX Financial support for this study at the University of New Mexico was provided by the U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [grant number DE-FG02-03ER15419 (to R. T. P.)]. In addition, funds from the National Science Foundation (NSF) assisted with the purchases of the X-ray diffractometer (CHE-0443580) and NMR spectrometers (CHE-0840523 and -0946690). Support for molecular modeling (to B. P. H.) studies at Oak Ridge National Laboratory was provided by the DOE, Office of Science, BES, Chemical Sciences, Geosciences, and Biosciences Division. The authors thank Professor G. Lynn Wood, Valdosta State University for recording DSC and TGA scans on the naphthoxazine samples. NR 88 TC 2 Z9 2 U1 2 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1434-193X EI 1099-0690 J9 EUR J ORG CHEM JI Eur. J. Org. Chem. PD MAY PY 2014 VL 2014 IS 15 BP 3132 EP 3148 DI 10.1002/ejoc.201400120 PG 17 WC Chemistry, Organic SC Chemistry GA AH8HE UT WOS:000336377000014 ER PT J AU Vollmer, T Manic, M AF Vollmer, Todd Manic, Milos TI Cyber-Physical System Security With Deceptive Virtual Hosts for Industrial Control Networks SO IEEE TRANSACTIONS ON INDUSTRIAL INFORMATICS LA English DT Article DE Industrial control; intrusion detection; network security AB A challenge facing industrial control network administrators is protecting the typically large number of connected assets for which they are responsible. These cyber devices may be tightly coupled with the physical processes they control and human induced failures risk dire real-world consequences. Dynamic virtual honeypots are effective tools for observing and attracting network intruder activity. This paper presents a design and implementation for self-configuring honeypots that passively examine control system network traffic and actively adapt to the observed environment. In contrast to prior work in the field, six tools were analyzed for suitability of network entity information gathering. Ettercap, an established network security tool not commonly used in this capacity, outperformed the other tools and was chosen for implementation. Utilizing Ettercap XML output, a novel four-step algorithm was developed for autonomous creation and update of a Honeyd configuration. This algorithm was tested on an existing small campus grid and sensor network by execution of a collaborative usage scenario. Automatically created virtual hosts were deployed in concert with an anomaly behavior (AB) system in an attack scenario. Virtual hosts were automatically configured with unique emulated network stack behaviors for 92% of the targeted devices. The AB system alerted on 100% of the monitored emulated devices. C1 [Vollmer, Todd] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Manic, Milos] Univ Idaho, Idaho Falls, ID 83402 USA. RP Vollmer, T (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM denis.vollmer@inl.gov; misko@uidaho.edu NR 34 TC 5 Z9 5 U1 5 U2 46 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1551-3203 EI 1941-0050 J9 IEEE T IND INFORM JI IEEE Trans. Ind. Inform. PD MAY PY 2014 VL 10 IS 2 BP 1337 EP 1347 DI 10.1109/TII.2014.2304633 PG 11 WC Automation & Control Systems; Computer Science, Interdisciplinary Applications; Engineering, Industrial SC Automation & Control Systems; Computer Science; Engineering GA AI2EI UT WOS:000336669800047 ER PT J AU Vollmer, T Manic, M Linda, O AF Vollmer, Todd Manic, Milos Linda, Ondrej TI Autonomic Intelligent Cyber-Sensor to Support Industrial Control Network Awareness SO IEEE TRANSACTIONS ON INDUSTRIAL INFORMATICS LA English DT Article DE Autonomic computing; control systems; industrial ecosystems; service-oriented architecture; network security ID WIRELESS SENSOR; SERVICE; INFRASTRUCTURE; ARCHITECTURE AB The proliferation of digital devices in a networked industrial ecosystem, along with an exponential growth in complexity and scope, has resulted in elevated security concerns and management complexity issues. This paper describes a novel architecture utilizing concepts of autonomic computing and a simple object access protocol (SOAP)-based interface to metadata access points (IF-MAP) external communication layer to create a network security sensor. This approach simplifies integration of legacy software and supports a secure, scalable, and self-managed framework. The contribution of this paper is twofold: 1) A flexible two-level communication layer based on autonomic computing and service oriented architecture is detailed and 2) three complementary modules that dynamically reconfigure in response to a changing environment are presented. One module utilizes clustering and fuzzy logic to monitor traffic for abnormal behavior. Another module passively monitors network traffic and deploys deceptive virtual network hosts. These components of the sensor system were implemented in C++ and PERL and utilize a common internal D-Bus communication mechanism. A proof of concept prototype was deployed on a mixed-use test network showing the possible real-world applicability. In testing, 45 of the 46 network attached devices were recognized and 10 of the 12 emulated devices were created with specific operating system and port configurations. In addition, the anomaly detection algorithm achieved a 99.9% recognition rate. All output from the modules were correctly distributed using the common communication structure. C1 [Vollmer, Todd] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Manic, Milos] Univ Idaho, Idaho Falls, ID 83402 USA. [Linda, Ondrej] Expedia Inc, Bellevue, WA 98004 USA. RP Vollmer, T (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM denis.vollmer@inl.gov; misko@uidaho.edu; olindaczech@gmail.com NR 26 TC 8 Z9 8 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1551-3203 EI 1941-0050 J9 IEEE T IND INFORM JI IEEE Trans. Ind. Inform. PD MAY PY 2014 VL 10 IS 2 BP 1647 EP 1658 DI 10.1109/TII.2013.2270373 PG 12 WC Automation & Control Systems; Computer Science, Interdisciplinary Applications; Engineering, Industrial SC Automation & Control Systems; Computer Science; Engineering GA AI2EI UT WOS:000336669800079 ER PT J AU Jones, B Jennings, CA Lamppa, DC Hansen, SB Harvey-Thompson, AJ Ampleford, DJ Cuneo, ME Strizic, T Johnson, D Jones, MC Moore, NW Flanagan, TM McKenney, JL Waisman, EM Coverdale, CA Krishnan, M Coleman, PL Elliott, KW Madden, RE Thompson, J Bixler, A Thornhill, JW Giuliani, JL Chong, YK Velikovich, AL Dasgupta, A Apruzese, JP AF Jones, Brent Jennings, Christopher A. Lamppa, Derek C. Hansen, Stephanie B. Harvey-Thompson, Adam J. Ampleford, David J. Cuneo, Michael E. Strizic, Thomas Johnson, Drew Jones, Michael C. Moore, Nathan W. Flanagan, Timothy M. McKenney, John L. Waisman, Eduardo M. Coverdale, Christine A. Krishnan, Mahadevan Coleman, Philip L. Elliott, Kristi Wilson Madden, Robert E. Thompson, John Bixler, Alex Thornhill, J. Ward Giuliani, John L. Chong, Young K. Velikovich, Alexander L. Dasgupta, Arati Apruzese, John P. TI A Renewed Capability for Gas Puff Science on Sandia's Z Machine SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Gas puff; K-shell radiation; magnetohydrodynamics (MHDs); plasma pinch; supersonic nozzle; X-ray production ID K-SHELL LINE; Z-PINCH; RADIATION; PLASMA; ARGON; DIAGNOSTICS; TRANSPORT AB A comprehensive gas puff capability is being developed on the Z pulsed power generator. We describe the methodology employed for developing a gas puff load on Z, which combines characterization and modeling of the neutral gas mass flow from a supersonic nozzle, numerical modeling of the implosion of this mass profile, and experimental evaluation of these magnetic implosions on Z. We are beginning a multiyear science program to study gas puff z-pinch physics at high current, starting with an 8-cm diameter double-shell nozzle, which delivers a column of Ar gas that is imploded by the machine's fast current pulse. The initial shots have been designed using numerical simulation with two radiation-magnetohydrodynamic codes. These calculations indicate that 1 mg/cm should provide optimal coupling to the driver and 1.6:1 middle: outer shell mass ratio will best balance the need for high implosion velocity against the need to mitigate the magnetic Rayleigh-Taylor instability. The models suggest 300-500-kJ Ar K-shell yield should be achievable on Z, and we report an initial commissioning shot at lower voltage in which 250 kJ was measured. Future experiments will pursue optimization of Ar and Kr K-shell X-ray sources, study fusion in deuterium gas puffs, and investigate the physics of gas puff implosions including energy coupling, instability growth, and radiation generation. C1 [Jones, Brent; Jennings, Christopher A.; Lamppa, Derek C.; Hansen, Stephanie B.; Harvey-Thompson, Adam J.; Ampleford, David J.; Cuneo, Michael E.; Strizic, Thomas; Johnson, Drew; Jones, Michael C.; Moore, Nathan W.; Flanagan, Timothy M.; McKenney, John L.; Waisman, Eduardo M.; Coverdale, Christine A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Krishnan, Mahadevan; Elliott, Kristi Wilson; Madden, Robert E.] Alameda Appl Sci Corp, San Leandro, CA 94577 USA. [Coleman, Philip L.] Evergreen Hill Sci, Philomath, OR 97370 USA. [Bixler, Alex] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Thornhill, J. Ward; Giuliani, John L.; Chong, Young K.; Velikovich, Alexander L.; Dasgupta, Arati] Naval Res Lab, Washington, DC 20375 USA. [Apruzese, John P.] Engility Corp, Naval Res Lab, Chantilly, VA 20151 USA. RP Jones, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bmjones@sandia.gov; cajennin@sandia.gov; dclampp@sandia.gov; sbhanse@sandia.gov; ajharve@sandia.gov; damplef@sandia.gov; mecuneo@sandia.gov; tstrizi@sandia.gov; dwjohns@sandia.gov; micjone@sandia.gov; nwmoore@sandia.gov; tmflana@sandia.gov; jmcken@sandia.gov; emwaism@sandia.gov; cacover@sandia.gov; krishnan@aasc.net; plcoleman@casco.net; wilson@aasc.net; madden@aasc.net; jthompsd@alumni.ucsd.edu; ajbixler@yahoo.com; thornhil@ppdu.nrl.navy.mil; john.giuliani@nrl.navy.mil; chong@ppdmail.nrl.navy.mil; velikov@ppdmail.nrl.navy.mil; dasgupta@ppdmail.nrl.navy.mil; japruzese@hotmail.com FU Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Manuscript received July 17, 2013; accepted October 7, 2013. Date of publication December 3, 2013; date of current version May 6, 2014. This work was supported by 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. NR 33 TC 13 Z9 13 U1 0 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1145 EP 1152 DI 10.1109/TPS.2013.2287180 PN 1 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000006 ER PT J AU Grabowski, C Degnan, JH Amdahl, DJ Domonkos, M Ruden, EL White, W Wurden, GA Frese, MH Frese, SD Camacho, F Coffey, SK Kiuttu, GF Kostora, M McCullough, J Sommars, W Lynn, AG Yates, K Bauer, BS Fuelling, S Siemon, RE AF Grabowski, Chris Degnan, James H. Amdahl, David J. Domonkos, Matthew Ruden, Edward L. White, William Wurden, Glen A. Frese, Michael H. Frese, Sherry D. Camacho, Frank Coffey, Sean K. Kiuttu, Gerald F. Kostora, Mark McCullough, John Sommars, Wayne Lynn, Alan G. Yates, Kevin Bauer, Bruno S. Fuelling, Stephan Siemon, Richard E. TI Addressing Short Trapped-Flux Lifetime in High-Density Field-Reversed Configuration Plasmas in FRCHX SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Inertial confinement; magnetic confinement; plasma generation; plasma properties; plasmas ID TOROIDAL MAGNETIC-FIELD; SOLID-STATE PHYSICS; LINER IMPLOSIONS; CURRENT DRIVE; THETA-PINCH; COMPRESSION AB The objective of the field-reversed configuration heating experiment (FRCHX) is to obtain a better understanding of the fundamental scientific issues associated with high-energy density laboratory plasmas (HEDLPs) in strong, closed-field-line magnetic fields. These issues have relevance to such topics as magneto-inertial fusion, laboratory astrophysical research, and intense radiation sources, among others. To create HEDLP conditions, a field-reversed configuration (FRC) plasma of moderate density is first formed via reversed-field theta pinch. It is then translated into a cylindrical aluminum flux conserver (solid liner), where it is trapped between two magnetic mirrors and then compressed by the magnetically driven implosion of the solid liner. A requirement is that, once the FRC is stopped within the solid liner, the trapped flux inside the FRC must persist while the compression process is completed. With the present liner dimensions and implosion drive bank parameters, the total time required for implosion is similar to 25 mu s. Lifetime measurements of recent FRCHX FRCs indicate that trapped lifetimes following capture are now approaching similar to 14 mu s (and therefore, total lifetimes after formation are now approaching similar to 19 mu s). By separating the mirror and translation coil banks into two so that the mirror fields can be set lower initially, the liner compression can now be initiated 7-9 mu s before the FRC is formed. A discussion of FRC lifetime-limiting mechanisms and various experimental approaches to extending the FRC lifetime will be presented. C1 [Grabowski, Chris; Degnan, James H.; Amdahl, David J.; Domonkos, Matthew; Ruden, Edward L.; White, William] Air Force Res Lab, Directed Energy Directorate, Kirtland AFB, NM 87117 USA. [Wurden, Glen A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Frese, Michael H.; Frese, Sherry D.; Camacho, Frank; Coffey, Sean K.] NumerEx LLC, Albuquerque, NM 87106 USA. [Kiuttu, Gerald F.] VariTech Serv, Albuquerque, NM 87112 USA. [Kostora, Mark; McCullough, John; Sommars, Wayne] Sci Applicat Int Corp, Albuquerque, NM 87106 USA. [Lynn, Alan G.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. [Yates, Kevin; Bauer, Bruno S.; Fuelling, Stephan; Siemon, Richard E.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. RP Grabowski, C (reprint author), Air Force Res Lab, Directed Energy Directorate, Kirtland AFB, NM 87117 USA. EM theodore.grabowski@kirtland.af.mil; james.degnan@kirtland.af.mil; david.amdahl@kirtland.af.mil; matthew.domonkos@kirtland.af.mil; edward.ruden@kirtland.af.mil; wmwhite@ieee.org; wurden@lanl.gov; michael.frese@numerex-llc.com; sherry.frese@numerex-llc.com; frank.camacho.ctr@kirtland.af.mil; sean.coffey.ctr@kirtland.af.mil; gerald.kiuttu@varitech-services.com; mark.kostora.ctr@kirtland.af.mil; john.mccullough.ctr@kirtland.af.mil; wayne.sommars.ctr@kirtland.af.mil; lynn@ece.unm.edu; kevyates@gmail.com; bruno.s.bauer@gmail.com; fuelling@unr.edu; dick@luckymr.net RI Wurden, Glen/A-1921-2017 OI Wurden, Glen/0000-0003-2991-1484 FU U.S. Department of Energy's Office of Fusion Energy Science FX Manuscript received September 5, 2013; revised January 14, 2014; accepted January 25, 2014. Date of publication February 25, 2014; date of current version May 6, 2014. This work was supported by the U.S. Department of Energy's Office of Fusion Energy Science NR 44 TC 9 Z9 10 U1 2 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1179 EP 1188 DI 10.1109/TPS.2014.2305402 PN 1 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000010 ER PT J AU Bettencourt, MT AF Bettencourt, Matthew T. TI Controlling Self-Force for Unstructured Particle-in-Cell (PIC) Codes SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Computational modeling; computer simulation; plasma applications; plasma materials processing; plasma simulation AB A new algorithm was developed, which reduces the self-force in particle-in-cell codes on unstructured meshes in a predictable and controllable way. This is accomplished by computing a charge density weighting function for a particle, which reproduces the Green's function solution to Poisson's equation at nodes when using a standard finite element method methodology. This provides a superior local potential and allows for particle-particle particle-mesh techniques to be used to subtract off local force contributions, including fictitious self-forces resulting in accurate long-range forces on a particle and improved local Coulomb collisions. Local physical forces are then computed using the Green's function on local particle pairs and added to the long-range forces. Results were shown with up to five orders reduction in self-force and superior intraparticle forces for two test cases. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bettencourt, MT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mbetten@sandia.gov RI bettencourt, matthew/I-5924-2014 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Manuscript received August 26, 2013; revised February 14, 2014; accepted March 19, 2014. Date of publication April 4, 2014; date of current version May 6, 2014. Sandia National Laboratories is a MultiProgram Laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 10 TC 1 Z9 1 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1189 EP 1194 DI 10.1109/TPS.2014.2313515 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000011 ER PT J AU Langdon, AB AF Langdon, A. Bruce TI Evolution of Particle-in-Cell Plasma Simulation SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Computational physics; simulation; weakly coupled plasmas ID ELECTROMAGNETIC PIC CODES; FINITE-SIZE PARTICLES; CHARGE CONSERVATION; GAUSS LAW; COLLISIONS; TRANSPORT AB Particle-in-cell (PIC) methods first made it feasible to simulate plasmas and microwave devices in two dimensions on 1960s computers. In this approach, the electromagnetic interactions between charged particles are mediated by a spatial mesh, on which currents and field are defined. The dominance of long-range forces in weakly coupled plasma means that the mesh and time-step do not have to resolve nearest neighbor interactions. Advances in algorithms and parallel computers have greatly expanded the applicability of PIC. We review this evolution, with particular emphasis on the contributions of Prof. Ned Birdsall and those he influenced. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Langdon, AB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM langdon@mailaps.org NR 24 TC 0 Z9 0 U1 2 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1317 EP 1320 DI 10.1109/TPS.2014.2314615 PN 1 PG 4 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000026 ER PT J AU Friedman, A Cohen, RH Grote, DP Lund, SM Sharp, WM Vay, JL Haber, I Kishek, RA AF Friedman, Alex Cohen, Ronald H. Grote, David P. Lund, Steven M. Sharp, William M. Vay, Jean-Luc Haber, Irving Kishek, Rami A. TI Computational Methods in the Warp Code Framework for Kinetic Simulations of Particle Beams and Plasmas SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Algorithms; computer; laser; Maxwell; Ned Birdsall; numerical simulation; particle beam; particle-in-cell; plasma ID HEAVY-ION FUSION; NONSTANDARD FINITE-DIFFERENCES; MESH REFINEMENT; INDUCTION ACCELERATORS; NUMERICAL STABILITY; ELECTRON-CLOUDS; PIC SIMULATIONS; NDCX-II; ALGORITHM; ABSORPTION AB The Warp code (and its framework of associated tools) was initially developed for particle-in-cell simulations of space-charge-dominated ion beams in accelerators, for heavy-ion-driven inertial fusion energy, and related experiments. It has found a broad range of applications, including nonneutral plasmas in traps, stray electron clouds in accelerators, laser-based acceleration, and the focusing of ion beams produced when short-pulse lasers irradiate foil targets. We summarize novel methods used in Warp, including: time-stepping conducive to diagnosis and particle injection; an interactive Python-Fortran-C structure that enables scripted and interactive user steering of runs; a variety of geometries (3-D x, y, z; 2-D r, z; 2-D x, y); electrostatic and electromagnetic field solvers; a cut-cell representation for internal boundaries; the use of warped coordinates for bent beam lines; adaptive mesh refinement, including a capability for time-dependent space-charge-limited flow from curved surfaces; models for accelerator lattice elements (magnetic or electrostatic quadrupole lenses, accelerating gaps, etc.) at user-selectable levels of detail; models for particle interactions with gas and walls; moment/envelope models that support sophisticated particle loading; a drift-Lorentz mover for rapid tracking through regions of strong and weak magnetic field; a Lorentz-boosted frame formulation with a Lorentz-invariant modification of the Boris mover; an electromagnetic solver with tunable dispersion and stride-based digital filtering; and a pseudospectral electromagnetic solver. Warp has proven useful for a wide range of applications, described very briefly herein. It is available as an open-source code under a BSD license. This paper describes material presented during the Prof. Charles K. (Ned) Birdsall Memorial Session of the 2013 IEEE Pulsed Power and Plasma Science Conference. In addition to our overview of the computational methods used in Warp, we summarize a few aspects of Ned's contributions to plasma simulation and to the careers of those he mentored. C1 [Friedman, Alex; Cohen, Ronald H.; Grote, David P.; Lund, Steven M.; Sharp, William M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Friedman, Alex; Cohen, Ronald H.; Grote, David P.; Lund, Steven M.; Sharp, William M.; Vay, Jean-Luc] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Haber, Irving; Kishek, Rami A.] Univ Maryland, College Pk, MD 20742 USA. RP Friedman, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM af@llnl.gov; cohen2@llnl.gov; grote1@llnl.gov; lund3@llnl.gov; sharp6@llnl.gov; jlvay@lbl.gov; haber@umd.edu; ramiak@umd.edu FU U.S. DoE by LLNL; LBNL [DE-AC52-07NA27344, DE-AC02-05CH11231]; University of Maryland [DEFG02-92ER54178, DEFG02-94ER40855] FX This work was performed under the auspices of the U.S. DoE by LLNL and LBNL under Contract DE-AC52-07NA27344 and Contract DE-AC02-05CH11231, and by the University of Maryland under Contract DEFG02-92ER54178 and Contract DEFG02-94ER40855. NR 65 TC 5 Z9 5 U1 2 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1321 EP 1334 DI 10.1109/TPS.2014.2308546 PN 1 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000027 ER PT J AU Cohen, BI Dimits, AM Divol, L Fiuza, F Kemp, AJ Strozzi, DJ AF Cohen, Bruce I. Dimits, Andris M. Divol, Laurent Fiuza, Frederico Kemp, Andreas J. Strozzi, David J. TI A PIC-Fluid Hybrid Algorithm for Multiscale Simulations of Laser-Plasma Interactions SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Algorithms; computer applications; numerical analysis; particle collisions; plasmas ID COULOMB COLLISIONS; ELECTRONS; MODEL; CODE; TRANSPORT; IGNITION; TARGETS AB A recently introduced algorithm for performing integrated kinetic simulations of the fast ignition approach to laser fusion is reviewed. The integrated algorithm uses a conventional fully electromagnetic relativistic particle-in-cell algorithm in vacuum and plasma up to a density well above cutoff for the incident laser, above which density the plasma is sufficiently collisional so that light waves and electron plasma waves are unimportant and a simplified physics model is justified that leads to improved computational efficiencies. Integrated comprehensive kinetic simulation of fast ignition is rendered more practical with this two-region algorithm. Professor C. K. Birdsall was a pioneer in computational plasma physics and enthusiastically championed the expansion of its use for discovery science and to simulate plasma phenomena in a wall-to-wall manner. C1 [Cohen, Bruce I.; Dimits, Andris M.; Divol, Laurent; Fiuza, Frederico; Kemp, Andreas J.; Strozzi, David J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Cohen, BI (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM cohen1@llnl.gov; dimits1@llnl.gov; divol1@llnl.gov; fiuza1@llnl.gov; kemp7@llnl.gov; strozzi2@llnl.gov OI Strozzi, David/0000-0001-8814-3791 FU U.S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported by the U.S. Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This presentation was part of a special memorial session honoring Professor C. K. (Ned) Birdsall at the IEEE Pulsed Power and Plasma Science Conference, June 17-21, 2013. NR 26 TC 0 Z9 0 U1 0 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1335 EP 1338 DI 10.1109/TPS.2013.2293121 PN 1 PG 4 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000028 ER PT J AU Godfrey, BB Vay, JL Haber, I AF Godfrey, Brendan B. Vay, Jean-Luc Haber, Irving TI Numerical Stability Improvements for the Pseudospectral EM PIC Algorithm SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Accelerators; numerical stability; particle beams; particle-in-cell (PIC); relativistic effects; simulation; spectral methods ID SIMULATION; PLASMA; INSTABILITIES AB The pseudospectral analytical time-domain (PSATD) particle-in-cell algorithm solves the vacuum Maxwell's equations exactly, has no Courant time-step limit (as conventionally defined), and offers substantial flexibility in plasma and particle beam simulations. It is, however, not free of the usual numerical instabilities, including the numerical Cherenkov instability, when applied to relativistic beam simulations. This paper presents several approaches that, when combined with digital filtering, almost completely eliminate the numerical Cherenkov instability. This paper also investigates the numerical stability of the PSATD algorithm at low beam energies, drawing in many cases on the pioneering work of Prof. Ned Birdsall, in whose memory this paper is dedicated. C1 [Godfrey, Brendan B.; Haber, Irving] Univ Maryland, College Pk, MD 20742 USA. [Vay, Jean-Luc] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Godfrey, BB (reprint author), Univ Maryland, College Pk, MD 20742 USA. EM brendan.godfrey@ieee.org; jlvay@lbl.gov; haber@umd.edu OI Godfrey, Brendan/0000-0003-2311-7060 FU Office of Science, Office of High Energy Physics, U.S. Department of Energy [AC02-05CH11231]; U.S.-DOE SciDAC Compass Collaboration; National Energy Research Scientific Computing Center FX This work was supported in part by the Director, Office of Science, Office of High Energy Physics, U.S. Department of Energy under Contract DE-AC02-05CH11231, in part by the U.S.-DOE SciDAC Compass Collaboration, and in part by the National Energy Research Scientific Computing Center. NR 18 TC 9 Z9 9 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1339 EP 1344 DI 10.1109/TPS.2014.2310654 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000029 ER PT J AU Youssef, MZ Feder, RE AF Youssef, Mahmoud Z. Feder, Russell E. TI Optimization of the Integrated Diagnostics in Equatorial Port Plug #3 of ITER for Minimal Interspace Dose Rate SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE 3-D nuclear analysis; ATTILA code; charge exchange recombination spectroscopy (CXRS) and motional stark effect (MSE) diagnostics; neutronics; optimization; shutdown dose rate (SDDR) ID ATTILA CODE AB According to Internationa Thermonuclear Experimental Reactor (ITER) integration procurement arrangements, the installment of diagnostics in a port should not increase the shutdown dose rate (SDDR) in the port interspace area by no more than similar to 50 mu Sv/h above the baseline, assuming another 50 mu Sv/h is attributed to contribution from the port structure and other ITER in-vessel components, such that the upper SDDR limit of 100 mu Sv/h is not exceeded 10(6) s after shutdown. It was found that placing the initial design of the motional stark effect (MSE) and the charge exchange recombination spectroscopy (CXRS) in the equatorial port #3 resulted in an increase in the SDDR that far exceeded the limit. When we follow the optimization process discussed in this paper, substantial reduction in the port interspace SDDR was achieved. The results of this paper show that even when we combine the optimized CXRS and MSE diagnostics with a third glow discharge diagnostic, the excess of the SDDR over the baseline value did not exceed the allowed upper limit. This paper is based on utilizing the 3-D CAD-based ATTILA code for assessing the SDDR. C1 [Youssef, Mahmoud Z.] Univ Calif Los Angeles, Mech & Aerosp Engn Dept, Los Angeles, CA 90025 USA. [Feder, Russell E.] Princeton Plasma Phys Lab, Princeton, NJ 08542 USA. RP Youssef, MZ (reprint author), Univ Calif Los Angeles, Mech & Aerosp Engn Dept, Los Angeles, CA 90025 USA. EM youssef@fusion.ucla.edu NR 13 TC 0 Z9 0 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1413 EP 1420 DI 10.1109/TPS.2014.2314751 PN 1 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000040 ER PT J AU El-Guebaly, L Mynsberge, L Menard, J Brown, T Malang, S Waganer, L AF El-Guebaly, Laila Mynsberge, Lucas Menard, Jonathan Brown, Thomas Malang, Siegfried Waganer, Lester TI Nuclear Aspects and Blanket Testing/Development Strategy for ST-FNSF SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Blanket testing strategy; fusion nuclear science facility (FNSF); neutron wall loading distribution; radial build; tritium breeding ratio (TBR) AB One of the main technology missions of a fusion nuclear science facility (FNSF) is to validate the performance of an integrated set of in-vessel components in prototypical fusion operating conditions prior to inclusion in demonstration and/or first-of-a-kind power plant. The FNSF developed by Princeton Plasma Physics Laboratory will enable such integral testing of fusion technologies. The blanket testing and development strategy requires access for a number of test blanket modules (TBMs) and a base blanket installed in the available space surrounding the TBMs and heating/CD ports. A unique feature of the proposed strategy is that the TBMs play a key role and serve as forerunners for a more advanced version of the base blanket. The maximum achievable tritium breeding ratio (TBR), the shielding of all magnets, and the radial build definition are among the numerous design issues investigated in detail. Potential means to increase the TBR were also investigated. C1 [El-Guebaly, Laila; Mynsberge, Lucas] Univ Wisconsin, Madison, WI 53706 USA. [Menard, Jonathan; Brown, Thomas] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP El-Guebaly, L (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM elguebaly@engr.wisc.edu; lmynsberge@wisc.edu; jmenard@pppl.gov; tbrown@pppl.gov; smalang@web.de; lesw@centurytel.net OI Menard, Jonathan/0000-0003-1292-3286 FU Princeton Plasma Physics Laboratory, Princeton, NJ, USA FX This work was supported by the Princeton Plasma Physics Laboratory, Princeton, NJ, USA. NR 10 TC 5 Z9 5 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAY PY 2014 VL 42 IS 5 BP 1457 EP 1463 DI 10.1109/TPS.2014.2311758 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AI1DT UT WOS:000336591000047 ER PT J AU Venteris, ER Basta, NT Bigham, JM Rea, R AF Venteris, Erik R. Basta, Nicholas T. Bigham, Jerry M. Rea, Ron TI Modeling Spatial Patterns in Soil Arsenic to Estimate Natural Baseline Concentrations SO JOURNAL OF ENVIRONMENTAL QUALITY LA English DT Article ID RISK-ASSESSMENT; BACKGROUND CONCENTRATIONS; CONTAMINATED SOIL; LOCAL BEDROCK; GEOCHEMISTRY; ABSORPTION; SPECIATION; SEDIMENTS; TOXICITY; EXPOSURE AB Arsenic in soil is an important public health concern, but risk-based toxicity regulatory standards derived from laboratory studies should also consider concentrations measured away from obvious contamination (i.e., baseline concentrations that approximate natural background) to avoid unnecessary remediation burdens on society. We used soil and stream sediment samples from the USGS National Geochemical Survey to assess the spatial distribution of As over a 1.16 x 10(5) km(2) area corresponding to the state of Ohio. Samples were collected at 348 soil and 144 stream sites at locations selected to minimize anthropogenic inputs. Total As was measured by sodium peroxide fusion with subsequent dissolution using concentrated HCl and analysis using hydride-generation atomic absorption spectrometry. Arsenic in the soil and streambed samples ranged from 2.0 to 45.6 mg kg(-1). Sequential Gaussian simulation was used to map the expected concentration of As and its uncertainty. Five areas of elevated concentration, greater than the median of 10 mg kg(-1), were identified, and relationships to geologic parent materials, glacial sedimentation, and soil conditions interpreted. Arsenic concentrations <4 mg kg(-1) were rare, >10 mg kg(-1) common, and >20 mg kg(-1) not unusual for the central and west central portions of Ohio. Concentrations typically exceeded the soil As human generic screening level of 0.39 mg kg(-1), a value corresponding to an increase in cancer risk of 1 in 1,000,000 for soil ingestion. Such results call into question the utility of the USEPA and similarly low soil screening levels. The contrast between laboratory screens and concentrations occurring in nature argue for risk assessment on the basis of baseline concentrations. C1 [Venteris, Erik R.; Rea, Ron] Ohio Dept Nat Resources, Div Geol Survey, Columbus, OH 43229 USA. [Basta, Nicholas T.; Bigham, Jerry M.] Ohio State Univ, Sch Environm & Nat Resources, Columbus, OH 43210 USA. RP Venteris, ER (reprint author), Pacific NW Natl Lab, Environm Sustainabil Div, Richland, WA 99352 USA. EM erik.venteris@pnnl.gov FU Ohio Department of Natural Resources, Division of Geologic Survey; United States Geological Survey; Ohio Agricultural Research and Development Center, The Ohio State University, Columbus, OH FX This work was supported by the Ohio Department of Natural Resources, Division of Geologic Survey and the United States Geological Survey. N. Basta was supported in part by state and federal funds appropriated to the Ohio Agricultural Research and Development Center, The Ohio State University, Columbus, OH. NR 68 TC 6 Z9 6 U1 0 U2 7 PU AMER SOC AGRONOMY PI MADISON PA 677 S SEGOE RD, MADISON, WI 53711 USA SN 0047-2425 EI 1537-2537 J9 J ENVIRON QUAL JI J. Environ. Qual. PD MAY-JUN PY 2014 VL 43 IS 3 BP 936 EP 946 DI 10.2134/jeq2013.11.0459 PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA AH6XN UT WOS:000336275700016 PM 25602822 ER PT J AU Masue-Slowey, Y Slowey, AJ Michel, FM Webb, SM Fendorf, S AF Masue-Slowey, Yoko Slowey, Aaron J. Michel, F. Marc Webb, Samuel M. Fendorf, Scott TI Constraints on Precipitation of the Ferrous Arsenite Solid H7Fe4(AsO3)(5) SO JOURNAL OF ENVIRONMENTAL QUALITY LA English DT Article ID MICROBIAL REDUCTION; IRON; BANGLADESH; RETENTION; XAS; CALIFORNIA; SPECIATION; HYDROXIDE; TRANSPORT; MINERALS AB Formation of Fe(II)-As(III) solids is suspected to limit dissolved As concentrations in anaerobic environments. Iron(II) precipitates enriched in As(III) have been observed after microbial reduction of As(V)-loaded lepidocrocite (gamma-FeOOH) and symplesite (Fe(II)(3)(As(V)O-4)(2)]center dot 8H(2)O) and upon abiotic reaction of Fe(II) with As(III). However, the conditions favorable for Fe(II)-As(III) precipitation and the long-term stability (relative to dissolution) of this phase are unknown. Here we examine the composition, local structure, and solubility of an Fe(II)-As(III) precipitate to determine environments where such a solid may form and persist. We reveal that the Fe(II)-As(III) precipitate has a composition of H7Fe4(AsO3)(5) and a log K-50 of 34 for the dissolution reaction defined as: H7Fe4(AsO3)(5) +8H(+) = 4Fe(2+) + 5H(3)AsO(3). Extended X-ray absorption fine structure spectroscopic analysis of H7Fe4(AsO3)(5) shows that the molecular environment of Fe is dominated by edge-sharing octahedra within an Fe(OH)(2) sheet and that As is dominated by corner-sharing (AsO3)-O-III pyramids, which are consistent with previously published structures of As(III)-rich Fe(II) solids. The H7Fe4(AsO3)(5) solid has a pH-dependent solubility and requires millimolar concentrations of dissolved Fe(II) and As(III) to precipitate at pH <7.5. By contrast, alkaline conditions are more conducive to formation of H7Fe4(AsO3)(5); however, a high concentration of Fe(II) is required, which is unusual under alkaline conditions. C1 [Masue-Slowey, Yoko; Fendorf, Scott] Stanford Univ, Dept Environm Earth Syst Sci, Stanford, CA 94305 USA. [Slowey, Aaron J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Michel, F. Marc] Virginia Polytech Inst & State Univ, Dept Geosci, Blacksburg, VA 24061 USA. [Webb, Samuel M.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Masue-Slowey, Y (reprint author), Stanford Univ, Dept Environm Earth Syst Sci, Stanford, CA 94305 USA. EM ymasue@gmail.com RI Webb, Samuel/D-4778-2009 OI Webb, Samuel/0000-0003-1188-0464 FU Stanford NSF Environmental Molecular Science Institute [NSF-CHE-0431425] FX This research was supported by the Stanford NSF Environmental Molecular Science Institute (NSF-CHE-0431425). The authors thank Guangchao Li for ICP analysis, Alice Dohnalkova (PNNL) for TEM analysis, and Benjamin Kocar, Joanne Stubb, and Thomas Borch for their helpful suggestions. Portions of this research were conducted at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by the US Department of Energy, Office of Basic Energy Sciences. NR 32 TC 1 Z9 1 U1 1 U2 16 PU AMER SOC AGRONOMY PI MADISON PA 677 S SEGOE RD, MADISON, WI 53711 USA SN 0047-2425 EI 1537-2537 J9 J ENVIRON QUAL JI J. Environ. Qual. PD MAY-JUN PY 2014 VL 43 IS 3 BP 947 EP 954 DI 10.2134/jeq2013.08.0340 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA AH6XN UT WOS:000336275700017 PM 25602823 ER PT J AU Anderson, JM Moorman, MW Brown, JR Hochrein, JM Thornberg, SM Achyuthan, KE Gallis, MA Torczynski, JR Khraishi, T Manginell, RP AF Anderson, John M. Moorman, Matthew W. Brown, Jason R. Hochrein, James M. Thornberg, Steven M. Achyuthan, Komandoor E. Gallis, Michael A. Torczynski, John R. Khraishi, Tariq Manginell, Ronald P. TI Isothermal mass flow measurements in microfabricated rectangular channels over a very wide Knudsen range SO JOURNAL OF MICROMECHANICS AND MICROENGINEERING LA English DT Article DE Knudsen number; microchannels; rarefied gas dynamics; direct simulation Monte Carlo ID RAREFIED-GAS FLOWS; GASEOUS SLIP-FLOW; LONG MICROCHANNELS; TEMPERATURE; PRESSURE; VACUUM; ACCOMMODATION; ACTIVATION; STRAIGHT; NUMBER AB Measurement and modeling of gas flows in microelectromechanical systems (MEMS) scale channels are relevant to the fundamentals of rarefied gas dynamics (RGD) and the practical design of MEMS-based flow systems and micropumps. We describe techniques for building robust, leak-free, rectangular microchannels which are relevant to micro-and nanofluidic devices, while the channels themselves are useful for fundamental RGD studies. For the first time, we report the isothermal steady flow of helium (He) gas through these channels from the continuum to the free-molecular regime in the unprecedented Knudsen range of 0.03-1000. On the high end, our value is 20-fold larger than values previously reported by Ewart et al (2007 J. Fluid Mech. 584 337-56). We accomplished this through a dual-tank accumulation technique which enabled the monitoring of very low flow rates, below 10(-14) kg s(-1). The devices were prebaked under vacuum for 24 h at 100 degrees C in order to reduce outgassing and attain high Kn. We devised fabrication methods for controlled-depth micro-gap channels using silicon for both channel ceiling and floor, thereby allowing direct comparisons to models which utilize this simplifying assumption. We evaluated the results against a closed-form expression that accurately reproduces the continuum, slip, transition, and free-molecular regimes developed partly by using the direct simulation Monte Carlo method. The observed data were in good agreement with the expression. For Kn > similar to 100, we observed minor deviations between modeled and experimental flow values. Our fabrication processes and experimental data are useful to fundamental RGD studies and future MEMS microflow devices with respect to extremely low-flow measurements, model validation, and predicting optimal designs. C1 [Anderson, John M.; Moorman, Matthew W.; Manginell, Ronald P.] Sandia Natl Labs, Microsyst Enabled Detect Dept, Albuquerque, NM 87185 USA. [Brown, Jason R.; Hochrein, James M.; Thornberg, Steven M.] Sandia Natl Labs, Mat Reliabil Dept, Albuquerque, NM 87185 USA. [Achyuthan, Komandoor E.] Sandia Natl Labs, Biosensors & Nanomat Dept, Albuquerque, NM 87185 USA. [Gallis, Michael A.; Torczynski, John R.] Sandia Natl Labs, Fluid Sci & Engn Dept, Albuquerque, NM 87185 USA. [Khraishi, Tariq] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Anderson, JM (reprint author), Sandia Natl Labs, Microsyst Enabled Detect Dept, POB 5800, Albuquerque, NM 87185 USA. EM rpmangi@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Laboratory Directed Research and Development (LDRD) [151335] 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 US Department of Energy's National Nuclear Security Administration under contract no. DE-AC04-94AL85000. This work was partially supported by Sandia's Laboratory Directed Research and Development (LDRD) project no. 151335. We thank Wahid Hermina, W Kent Schubert and Larry Stotts for management support, Bonnie McKenzie for assistance with SEM analyses, Dr David Henry and Terri Romanic for suggestions regarding direct bonding, Lance Miller for experimental support, Art Oviedo (Analytical Solutions, Inc, Albuquerque) for CSAM imaging, Professor Harold Stalford (University of Oklahoma, Norman) for fabrication ideas and Dr Y L Shen (University of NewMexico, Albuquerque) for helpful critique. NR 44 TC 3 Z9 3 U1 2 U2 36 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0960-1317 EI 1361-6439 J9 J MICROMECH MICROENG JI J. Micromech. Microeng. PD MAY PY 2014 VL 24 IS 5 AR 055013 DI 10.1088/0960-1317/24/5/055013 PG 12 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA AI3ZS UT WOS:000336805300014 ER PT J AU Lomont, JP Nguyen, SC Harris, CB AF Lomont, Justin P. Nguyen, Son C. Harris, Charles B. TI Ultrafast Infrared Studies of the Role of Spin States in Organometallic Reaction Dynamics SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID PHOTOCHEMICAL DISPROPORTIONATION REACTIONS; HYDROGEN BOND ACTIVATION; TRANSITION-METAL COMPLEX; TIME-RESOLVED IR; REACTION-MECHANISM; ENERGY-STORAGE; LEWIS-BASES; LIGAND; SPECTROSCOPY; FE(CO)(5) AB CONSPECTUS: The importance of spin state changes in organometallic reactions is a topic of significant interest, as an increasing number of reaction mechanisms involving changes of spin state are consistently being uncovered. The potential influence of spin state changes on reaction rates can be difficult to predict, and thus this class of reactions remains among the least well understood in organometallic chemistry. Ultrafast time-resolved infrared (TRIR) spectroscopy provides a powerful tool for probing the dynamics of spin state changes in organometallic catalysis, as such processes often occur on the picosecond to nanosecond time scale and can readily be monitored in the infrared via the absorptions of carbonyl reporter ligands. In this Account, we summarize recent work from our group directed toward identifying trends in reactivity that can be used to offer predictive insight into the dynamics of coordinatively unsaturated organometallic reaction intermediates. In general, coordinatively unsaturated 16-electron (16e) singlets are able to coordinate to solvent molecules as token ligands to partially stabilize the coordinatively unsaturated metal center, whereas 16e triplets and 17-electron (17e) doublets are not, allowing them to diffuse more rapidly through solution than their singlet counterparts. Triplet complexes typically (but not always) undergo spin crossover prior to solvent coordination, whereas 17e doublets do not coordinate solvent molecules as token ligands and cannot relax to a lower spin state to do so. 16e triplets are typically able to undergo facile spin crossover to yield a 16e singlet where an associative, exothermic reaction pathway exists. The combination of facile spin crossover with faster diffusion through solution for triplets can actually lead to faster catalytic reactivity than for singlets, despite the forbidden nature of these reactions. We summarize studies on odd-electron complexes in which 17e doublets were found to display varying behavior with regard to their tendency to react with 2-electron donor ligands to form 19-electron (19e) adducts. The ability of 19e adducts to serve as reducing agents in disproportionation reactions depends on whether the excess electron density localized at the metal center or at a ligand site. The reactivity of both 16e and 17e complexes toward a widely used organic nitroxyl radical (TEMPO) are reviewed, and both classes of complexes generally react similarly via an associative mechanism with a low barrier to these reactions. We also describe recent work targeted at unraveling the photoisomerization mechanism of a thermal solar energy storage complex in which spin state changes were found to play a crucial role. Although a key triplet intermediate was found to be required for this photoisomerization mechanism to proceed, the details of why this triplet is formed in some complexes (those based on ruthenium) and not others (those based on iron, molybdenum, or tungsten) remains uncertain, and further exploration in this area may lead to a better understanding of the factors that influence intramolecular and excited state spin state changes. C1 [Harris, Charles B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Harris, Charles B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Harris, CB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM cbharris@berkeley.edu FU NSF [CHE-1213135]; VIED Fellowship FX This work was supported by NSF grant CHE-1213135. J.P.L. acknowledges support through a NSF Graduate Research Fellowship. S.C.N. acknowledges support through a VIED Fellowship. NR 40 TC 14 Z9 14 U1 7 U2 75 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 EI 1520-4898 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD MAY PY 2014 VL 47 IS 5 BP 1634 EP 1642 DI 10.1021/ar500032d PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA AH8VG UT WOS:000336415700019 PM 24819619 ER PT J AU Fister, TT Esbenshade, J Chen, X Long, BR Shi, B Schleputz, CM Gewirth, AA Bedzyk, MJ Fenter, P AF Fister, Tim T. Esbenshade, Jennifer Chen, Xiao Long, Brandon R. Shi, Bing Schlepuetz, Christian M. Gewirth, Andrew A. Bedzyk, Michael J. Fenter, Paul TI Lithium Intercalation Behavior in Multilayer Silicon Electrodes SO ADVANCED ENERGY MATERIALS LA English DT Article ID ION BATTERIES; THIN-FILM; AMORPHOUS-SILICON; ANODES; CONVERSION; CATHODE; STORAGE; POWDER; ALLOY AB Next generation lithium battery materials will require a fundamental shift from those based on intercalation to elements or compounds that alloy directly with lithium. Intermetallics, for instance, can electrochemically alloy to Li4.4M (M = Si, Ge, Sn, etc.), providing order-of-magnitude increases in energy density. Unlike the stable crystal structure of intercalation materials, intermetallic-based electrodes undergo dramatic volume changes that rapidly degrade the performance of the battery. Here, the energy density of silicon is combined with the structural reversibility of an intercalation material using a silicon/metal-silicide multilayer. In operando X-ray reflectivity confirms the multilayer's structural reversibility during lithium insertion and extraction, despite an overall 3.3-fold vertical expansion. The multilayer electrodes also show enhanced long-term cyclability and rate capabilities relative to a comparable silicon thin film electrode. This intercalation behavior found by dimensionally constraining silicon's lithiation promises applicability to a wide range of conversion reactions. C1 [Fister, Tim T.; Long, Brandon R.; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Esbenshade, Jennifer; Long, Brandon R.; Gewirth, Andrew A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Chen, Xiao] Northwestern Univ, Grad Program Appl Phys, Evanston, IL 60208 USA. [Shi, Bing; Schlepuetz, Christian M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Bedzyk, Michael J.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Bedzyk, Michael J.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Fister, TT (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM fister@anl.gov RI Bedzyk, Michael/B-7503-2009; Schleputz, Christian/C-4696-2008 OI Schleputz, Christian/0000-0002-0485-2708 FU Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center - US Department of Energy, Basic Energy Sciences [DE-AC02-06CH11]; U.S. Department of Energy FX This research was supported as a part of the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the US Department of Energy, Basic Energy Sciences under award number DE-AC02-06CH11. The beamline staff at 33BM, Advanced Photon Source (APS) provided valuable assistance. Research at sector 33 is supported by the U.S. Department of Energy. Insightful feedback from John Vaughey and Michael Thackeray was greatly appreciated. NR 28 TC 11 Z9 11 U1 4 U2 109 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD MAY PY 2014 VL 4 IS 7 AR 1301494 DI 10.1002/aenm.201301494 PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AH9ZB UT WOS:000336503800020 ER PT J AU Poluektov, OG Niklas, J Mardis, KL Beaupre, S Leclerc, M Villegas, C Erten-Ela, S Delgado, JL Martin, N Sperlich, A Dyakonov, V AF Poluektov, Oleg G. Niklas, Jens Mardis, Kristy L. Beaupre, Serge Leclerc, Mario Villegas, Carmen Erten-Ela, Sule Delgado, Juan L. Martin, Nazario Sperlich, Andreas Dyakonov, Vladimir TI Electronic Structure of Fullerene Heterodimer in Bulk-Heterojunction Blends SO ADVANCED ENERGY MATERIALS LA English DT Article ID POLYMER SOLAR-CELLS; SEMIEMPIRICAL METHODS; PHOTOVOLTAIC CELLS; CHARGE SEPARATION; RATIONAL DESIGN; SPECTROSCOPY; PARAMETERS; ENERGY; OPTIMIZATION; EFFICIENT AB To increase performance of organic solar cells, the optimization of the electron-accepting fullerenes has received less attention. Here, an electronic structure study of a novel covalently linked C-60-C-70-heterodimer in blend with the polymer PCDTBT (poly[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl) is presented. Upon optical excitation of polymer: heterodimer solid films, the unpaired electron is shared between both C-60 and C-70 cages. In contrast, in the solution the electron is localized on one half of the dimer. Electronic structure calculations reveal that for the C-60-C-70-heterodimer two nearly isoenergetic minima exist, essentially the cis and trans conformers, which are separated by a thermodynamically accessible rotational barrier. In the cis conformation, the edge-to-edge distance between the two cages is ca. 4 angstrom and an unpaired electron is shared between two dimer halves, while in the trans conformation the separation between the fullerene cages is larger and favors electron localization on one half of the heterodimer. By comparison with the experimental data, it is concluded that the cis conformation is preferable in films, and the trans conformation in solution. Modification of the linking molecular bridge opens the possibility to influence the electronic properties of fullerene dimers, which in turn may have an impact on the charge carrier generation efficiency in solar cells. C1 [Poluektov, Oleg G.; Niklas, Jens] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Mardis, Kristy L.] Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA. [Beaupre, Serge; Leclerc, Mario] Univ Laval, Dept Chem, Quebec City, PQ G1V 0A6, Canada. [Villegas, Carmen; Erten-Ela, Sule; Delgado, Juan L.; Martin, Nazario] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Organ, Madrid 28049, Spain. [Villegas, Carmen; Erten-Ela, Sule; Delgado, Juan L.; Martin, Nazario] IMDEA Nanociencia, Madrid 28049, Spain. [Sperlich, Andreas; Dyakonov, Vladimir] Univ Wurzburg, D-97074 Wurzburg, Germany. [Sperlich, Andreas; Dyakonov, Vladimir] Bavarian Ctr Appl Energy Res ZAE Bayern, D-97074 Wurzburg, Germany. RP Poluektov, OG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Oleg@anl.gov; jniklas@anl.gov; dyakonov@physik.uni-wuerzburg.de RI Dyakonov, Vladimir/F-6862-2013; delgado, juan luis/B-4635-2013; Martin, Nazario/B-4329-2008; Niklas, Jens/I-8598-2016; Villegas, Carmen/K-3224-2016; OI Dyakonov, Vladimir/0000-0001-8725-9573; delgado, juan luis/0000-0002-6948-8062; Martin, Nazario/0000-0002-5355-1477; Niklas, Jens/0000-0002-6462-2680; Mardis, Kristy/0000-0003-2633-9304 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; DFG [DY 18/8-1]; Bavarian State Ministry of Education and Culture, Science and Arts within the Collaborative Research Network "Solar Technologies go Hybrid"; MINECO of Spain [CTQ 2012-30668, CTQ 2011-27934, CTQ2011-24652]; Comunidad de Madrid [MADRISOLAR-2, S2009/PPQ-1533]; Natural Sciences and Engineering Research Council (NSERC) of Canada; Department of Defense Army Research Lab [W911NF-0820039]; National Institutes of Health [1SC2GM083717] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract DE-AC02-06CH11357 (J.N. and O.G.P.) and by the DFG under contract DY 18/8-1 (A. S. and V. D.). V. D. acknowledges financial support from the Bavarian State Ministry of Education and Culture, Science and Arts within the Collaborative Research Network "Solar Technologies go Hybrid". The fullerene design and synthesis (N.M., J.L.D., S. E., and C. V.) were supported by the MINECO of Spain (CTQ 2012-30668, CTQ 2011-27934, CTQ2011-24652, and Comunidad de Madrid (MADRISOLAR-2, S2009/PPQ-1533). J.L.D. thanks the MINECO of Spain for a Ramon y Cajal Fellowship. The synthesis of PCDTBT (M. L. and S. B.) was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada. K. L. M. was supported by the Department of Defense Army Research Lab (W911NF-0820039) and the National Institutes of Health (Grant 1SC2GM083717). NR 33 TC 10 Z9 10 U1 4 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD MAY PY 2014 VL 4 IS 7 AR 1301517 DI 10.1002/aenm.201301517 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AH9ZB UT WOS:000336503800026 ER PT J AU Avila-Brande, D King, G Urones-Garrote, E Subakti Llobet, A Garcia-Martin, S AF Avila-Brande, David King, Graham Urones-Garrote, Esteban Subakti Llobet, Anna Garcia-Martin, Susana TI Structural Determination and Imaging of Charge Ordering and Oxygen Vacancies of the Multifunctional Oxides REBaMn 2 O 6-X( RE = Gd, Tb) SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE multifunctional oxides; charge ordering; oxygen vacancies; neutron diffraction; exit wave reconstruction ID RARE-EARTH-ELEMENTS; ELECTROMAGNETIC PROPERTIES; MANGANITE YBAMN2O6; ROOM-TEMPERATURE; RBAMN2O6 R; PEROVSKITES; DIFFUSION; STRIPES; STATE AB Charge ordering and oxygen vacancy ordering are revealed in REBaMn2O6- (RE = Gd, Tb) oxides with perovskite-related structures. Electron diffraction and transmission electron microscopy results indicate a modulation of the crystal structure. The average oxidation state of Mn and the oxygen stoichiometry are determined by means of electron energy-loss spectroscopy, giving a REBaMn2O5.75 general formula. A 1:3 Mn4+:Mn3+ charge ordering model is confirmed by neutron powder diffraction, and oxygen vacancies-Mn3+ association is suggested by pair distribution function analysis. Direct imaging of the oxygen sublattice is obtained by phase image reconstruction. Location of the oxygen vacancies in the anion sublattice is achieved by analysis of the intensity of the averaged phase image. Both ionic conduction and multiferroic behavior are predicted from the crystal structures of these oxides. C1 [Avila-Brande, David; Subakti; Garcia-Martin, Susana] Univ Complutense Madrid, Dept Quim Inorgan, E-28040 Madrid, Spain. [King, Graham; Llobet, Anna] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Urones-Garrote, Esteban] Univ Madrid, Madrid 28040, Spain. RP Avila-Brande, D (reprint author), Univ Complutense Madrid, Dept Quim Inorgan, E-28040 Madrid, Spain. EM sgmartin@quim.ucm.es RI Avila-Brande, David/E-3557-2013; King, Graham/E-3632-2010; Albe, Karsten/F-1139-2011; Llobet, Anna/B-1672-2010; Garcia-Martin, Susana/E-4850-2016 OI Avila-Brande, David/0000-0003-0452-2482; King, Graham/0000-0003-1886-7254; Garcia-Martin, Susana/0000-0003-0729-4892 FU Spanish MEC [MAT2010-19837-C06-03, MAT2010-19460, PIB2010JP-00181]; CAM [MATERYENER-2 P2009/PPQ-1629]; EC; Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE [DE-AC52-06NA25396] FX S.G.-M., D.A.-B., S. and E.U.-G. thank the Spanish MEC for funding Projects MAT2010-19837-C06-03, MAT2010-19460 and PIB2010JP-00181; CAM for Project MATERYENER-2 P2009/PPQ-1629 and EC for SOPRANO. FP7-PEOPLE-2007-1-1-ITN. This work has benefited from the use of HIPD at the Lujan Center at Los Alamos Neutron Science Center, funded by DOE Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. NR 34 TC 8 Z9 8 U1 2 U2 44 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY PY 2014 VL 24 IS 17 BP 2510 EP 2517 DI 10.1002/adfm.201303564 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 AG8HF UT WOS:000335658700009 ER PT J AU Byrne, JM Coker, VS Cespedes, E Wincott, PL Vaughan, DJ Pattrick, RAD van der Laan, G Arenholz, E Tuna, F Bencsik, M Lloyd, JR Telling, ND AF Byrne, James M. Coker, Victoria S. Cespedes, Eva Wincott, Paul L. Vaughan, David J. Pattrick, Richard A. D. van der Laan, Gerrit Arenholz, Elke Tuna, Floriana Bencsik, Martin Lloyd, Jonathan R. Telling, Neil D. TI Biosynthesis of Zinc Substituted Magnetite Nanoparticles with Enhanced Magnetic Properties SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE zinc ferrite; Fe(III) reduction; Mossbauer; saturation magnetization ID 2P ABSORPTION-SPECTRA; MOSSBAUER-SPECTROSCOPY; FERRITE NANOPARTICLES; MINERALIZATION PATHWAYS; CIRCULAR-DICHROISM; CONTRAST AGENTS; PARTICLE-SIZE; MRI CONTRAST; ZNFE2O4; IRON AB The magnetic moments of magnetite nanoparticles are dramatically enhanced through the addition of zinc in a microbiologically driven synthesis procedure. The particles are produced through the reduction of Fe(III)-compounds containing Zn(II) by the iron reducing bacterium Geobacter sulfurreducens. Results indicate a significant increase in the saturation magnetization by over 50% compared to magnetite at both room and low temperatures for relatively minor quantities of zinc substitution. A maximum saturation magnetization of nearly 100 emu g(-1) of sample is measured at room temperature. Analysis of the cation site ordering reveals a complex dependence on the Zn content, with the combined effect of Zn substitution of Fe3+ ions on tetrahedral sites, together with Fe2+ cation oxidation, leading to the observed magnetization enhancement for low Zn doping levels. The improved magnetic properties give superior performance in MRI applications with an MRI contrast enhancement among the largest values reported, being more than 5 times larger than a commercial contrast agent (Feridex) measured under identical conditions. The synthesis technique applied here involves an environmentally benign route and offers the potential to tune the magnetic properties of magnetic nanoparticles, with increased overall magnetization desirable for many different commercial applications. C1 [Byrne, James M.; Coker, Victoria S.; Wincott, Paul L.; Vaughan, David J.; Pattrick, Richard A. D.; van der Laan, Gerrit; Lloyd, Jonathan R.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Williamson Res Ctr Mol Environm Sci, Manchester M13 9PL, Lancs, England. [Byrne, James M.] Univ Tubingen, Ctr Appl Geosci, Dept Geosci, D-72076 Tubingen, Germany. [Cespedes, Eva; Telling, Neil D.] Keele Univ, Inst Sci & Technol Med, Stoke On Trent ST4 7QB, Staffs, England. [van der Laan, Gerrit] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Arenholz, Elke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Tuna, Floriana] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. [Bencsik, Martin] Nottingham Trent Univ, Sch Sci & Technol, Coll Arts & Sci, Nottingham NG1 4BU, England. RP Byrne, JM (reprint author), Univ Manchester, Sch Earth Atmospher & Environm Sci, Williamson Res Ctr Mol Environm Sci, Manchester M13 9PL, Lancs, England. EM james.byrne@uni-tuebingen.de RI Cespedes, Eva/L-5248-2014; van der Laan, Gerrit/Q-1662-2015; Byrne, James/L-4860-2016 OI Cespedes, Eva/0000-0001-9963-8298; van der Laan, Gerrit/0000-0001-6852-2495; Byrne, James/0000-0002-4399-7336 FU NERC; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was carried out with the financial support of a NERC PhD studentship awarded to James Byrne. 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. The authors acknowledge NERC Envirosync II for providing support for this work. Additional thanks to Dr. Michael Ward for assistance and the provision of access to Transmission Electron Microscope by Leeds Nanoscience and Nanotechnology Facility (LENNF). NR 57 TC 14 Z9 14 U1 5 U2 49 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY PY 2014 VL 24 IS 17 BP 2518 EP 2529 DI 10.1002/adfm.201303230 PG 12 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 AG8HF UT WOS:000335658700010 ER PT J AU Hu, YX Liu, YZ Li, Z Sun, YG AF Hu, Yongxing Liu, Yuzi Li, Zheng Sun, Yugang TI Highly Asymmetric, Interfaced Dimers Made of Au Nanoparticles and Bimetallic Nanoshells: Synthesis and Photo-Enhanced Catalysis SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID SUZUKI COUPLING REACTIONS; GOLD NANOPARTICLES; METAL NANOPARTICLES; RAMAN-SCATTERING; PLATINUM NANOPARTICLES; PLASMON RESONANCES; NANOSTRUCTURES; NANOCLUSTERS; LIGHT; NANOCATALYSTS AB Synthesis of a class of exotic interfaced dimers with high asymmetries in terms of composition, morphology, structure (solid versus hollow), and dimension of the individual nanoscale components in the dimers is successfully accomplished. Typical examples include the interfaced dimers made of solid Au nanoparticles and hollow bimetallic nanoshells with different compositions, such as Au/Ag, Pt/Ag, and Pd/Ag. The success of the synthesis relies on the combination of asymmetric overgrowth of Ag nanodomains on the partially passivated Au nanoparticles and a following galvanic replacement reaction between the Ag nanodomains and appropriate noble metal precursors. The entire synthesis is processed on the unique superparamagnetic colloidal substrates that offer many advantages, such as time-efficiency, scalability, and high yield. The Au nanoparticle and the bimetallic nanoshell in each interfaced dimer are in direct contact, resulting in the possible strong coupling between them as well as novel properties that cannot be observed in either the nanoparticle or the nanoshell. For example, dimers made of Au nanoparticles and Pd/Ag nanoshells exhibit enhanced catalytic performance toward Suzuki coupling reactions under illumination of visible light because the strong surface plasmon resonances in the Au nanoparticles can influence the catalytic activity of the Pd/Ag nanoshells through coupling between the nanoparticles and the nanoshells. C1 [Hu, Yongxing; Liu, Yuzi; Li, Zheng; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Hu, YX (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ygsun@anl.gov RI Sun, Yugang /A-3683-2010; Liu, Yuzi/C-6849-2011; Li, Zheng/L-1355-2016 OI Sun, Yugang /0000-0001-6351-6977; Li, Zheng/0000-0001-5281-8101 FU Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX This work 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. Help from Dr. Elena Rozhkova and Dr. Peng Wang in Suzuki coupling reactions are greatly appreciated. NR 56 TC 21 Z9 21 U1 10 U2 190 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY PY 2014 VL 24 IS 19 BP 2828 EP 2836 DI 10.1002/adfm.201303557 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 AH6NU UT WOS:000336248400010 ER PT J AU Ke, Y Lany, S Berry, JJ Perkins, JD Parilla, PA Zakutayev, A Ohno, T O'Hayre, R Ginley, DS AF Ke, Yi Lany, Stephan Berry, Joseph J. Perkins, John D. Parilla, Philip A. Zakutayev, Andriy Ohno, Tim O'Hayre, Ryan Ginley, David S. TI Enhanced Electron Mobility Due to Dopant-Defect Pairing in Conductive ZnMgO SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID PULSED-LASER DEPOSITION; AUGMENTED-WAVE METHOD; THIN-FILMS; HIGHLY TRANSPARENT; OPTICAL-PROPERTIES; SOLAR-CELLS; ZNO FILMS; MGXZN1-XO; SEMICONDUCTORS; ALLOY AB The increase of the band gap in Zn1-xMgxO alloys with added Mg facilitates tunable control of the conduction band alignment and the Fermi-level position in oxide-heterostructures. However, the maximal conductivity achievable by doping decreases considerably at higher Mg compositions, which limits practical application as a wide-gap transparent conductive oxide. In this work, first-principles calculations and material synthesis and characterization are combined to show that the leading cause of the conductivity decrease is the increased formation of acceptor-like compensating intrinsic defects, such as zinc vacancies (V-Zn), which reduce the free electron concentration and decrease the mobility through ionized impurity scattering. Following the expectation that non-equilibrium deposition techniques should create a more random distribution of oppositely charged dopants and defects compared to the thermodynamic limit, the paring between dopant Ga-Zn and intrinsic defects V-Zn is studied as a means to reduce the ionized impurity scattering. Indeed, the post-deposition annealing of Ga-doped Zn0.7Mg0.3O films grown by pulsed laser deposition increases the mobility by 50% resulting in a conductivity as high as sigma = 475 S cm(-1) C1 [Ke, Yi; Lany, Stephan; Berry, Joseph J.; Perkins, John D.; Parilla, Philip A.; Zakutayev, Andriy; Ginley, David S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ke, Yi; O'Hayre, Ryan] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Ohno, Tim] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. RP Ke, Y (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM David.Ginley@nrel.gov RI Ohno, Timothy/J-9384-2014; OI Lany, Stephan/0000-0002-8127-8885; Zakutayev, Andriy/0000-0002-3054-5525 FU SunShot Initiative - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Solar Energy Technology [DE-AC36-08GO28308] FX This work was supported through the SunShot Initiative funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Solar Energy Technology under Award Number DE-AC36-08GO28308 to NREL. The authors thank Prof. Brian Gorman for TEM and SADP measurements, along with Dr. Paul Kotula for HRSTEM and EDS measurements. The authors also thank Dr. Paul Ndione, Dr. Ajaya Sidgel, and Dr. Robert Pasquarelli for assistance and helpful discussions. NR 57 TC 13 Z9 13 U1 8 U2 89 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY PY 2014 VL 24 IS 19 BP 2875 EP 2882 DI 10.1002/adfm.201303204 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 AH6NU UT WOS:000336248400016 ER PT J AU Kao, J Jeong, SJ Jiang, Z Lee, DH Aissou, K Ross, CA Russell, TP Xu, T AF Kao, Joseph Jeong, Seong-Jun Jiang, Zhang Lee, Dong Hyun Aissou, Karim Ross, Caroline A. Russell, Thomas P. Xu, Ting TI Direct 3-D Nanoparticle Assemblies in Thin Films via Topographically Patterned Surfaces SO ADVANCED MATERIALS LA English DT Article DE supramolecular nanocomposite; 3-D nanoparticle assembly; thin film; long-range order; graphoepitaxy; saw-toothed pattern ID BLOCK-COPOLYMERS; MIXTURES; ARRAYS; NANOCOMPOSITES; GRAPHOEPITAXY; ORIENTATION; COMPOSITES; POLYMERS; ORDER C1 [Kao, Joseph; Jeong, Seong-Jun; Xu, Ting] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Jiang, Zhang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lee, Dong Hyun; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Aissou, Karim; Ross, Caroline A.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Xu, Ting] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Xu, Ting] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Xu, T (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM tingxu@berkeley.edu RI Jiang, Zhang/A-3297-2012; Jeong, Seong-Jun/M-8027-2014; Jeong, Seong-Jun/L-3318-2013 OI Jiang, Zhang/0000-0003-3503-8909; FU Department of Energy, Office of Basic Energy Science through the "Organic-inorganic Nanocomposites" program at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH1135]; U.S. Department of Energy, Office of Science, Office of Basic Enrgy Sciences [DE-FG02-96ER45612]; Semiconductor Research Corporation; NSF [DMR1246740]; TSMC FX This work was supported by the Department of Energy, Office of Basic Energy Science under Contract DE-AC02-05CH11231 through the "Organic-inorganic Nanocomposites" program at Lawrence Berkeley National Laboratory (J.K., S.-J.J., and T.X.). Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH1135. Fabrication of the faceted sapphire surfaces was supported by the U.S. Department of Energy, Office of Science, Office of Basic Enrgy Sciences, under contract DE-FG02-96ER45612 (D.H.L. and T.P.R.). C.A.R. and K.A. acknowledge the support of the Semiconductor Research Corporation, NSF DMR1246740 and TSMC. NR 30 TC 5 Z9 5 U1 5 U2 86 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 18 BP 2777 EP 2781 DI 10.1002/adma.201305561 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 AG5UP UT WOS:000335484500001 PM 24504628 ER PT J AU Fagan, JA Khripin, CY Batista, CAS Simpson, JR Haroz, EH Walker, ARH Zheng, M AF Fagan, Jeffrey A. Khripin, Constantine Y. Batista, Carlos A. Silvera Simpson, Jeffrey R. Haroz, Erik H. Walker, Angela R. Hight Zheng, Ming TI Isolation of Specific Small-Diameter Single-Wall Carbon Nanotube Species via Aqueous Two-Phase Extraction SO ADVANCED MATERIALS LA English DT Article DE nanotubes; separations; two-phase extraction; surfactant ID DENSITY-GRADIENT ULTRACENTRIFUGATION; CHIRALITY SEPARATION; GEL CHROMATOGRAPHY C1 [Fagan, Jeffrey A.; Khripin, Constantine Y.; Batista, Carlos A. Silvera; Zheng, Ming] NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. [Walker, Angela R. Hight] NIST, Semicond & Dimens Metrol Div, Gaithersburg, MD 20899 USA. [Simpson, Jeffrey R.] Towson Univ, Dept Phys Astron & Geosci, Towson, MD 21252 USA. [Haroz, Erik H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Fagan, JA (reprint author), NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. EM jfagan@nist.gov RI Hight Walker, Angela/C-3373-2009; OI Hight Walker, Angela/0000-0003-1385-0672; Fagan, Jeffrey/0000-0003-1483-5554 FU National Research Council FX C.Y.K. thanks funding from a National Research Council post-doctoral research fellowship. NR 23 TC 59 Z9 62 U1 11 U2 124 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 18 BP 2800 EP 2804 DI 10.1002/adma.201304873 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 AG5UP UT WOS:000335484500005 PM 24448916 ER PT J AU Lee, CH Schiros, T Santos, EJG Kim, B Yager, KG Kang, SJ Lee, S Yu, J Watanabe, K Taniguchi, T Hone, J Kaxiras, E Nuckolls, C Kim, P AF Lee, Chul-Ho Schiros, Theanne Santos, Elton J. G. Kim, Bumjung Yager, Kevin G. Kang, Seok Ju Lee, Sunwoo Yu, Jaeeun Watanabe, Kenji Taniguchi, Takashi Hone, James Kaxiras, Efthimios Nuckolls, Colin Kim, Philip TI Epitaxial Growth of Molecular Crystals on van der Waals Substrates for High-Performance Organic Electronics SO ADVANCED MATERIALS LA English DT Article DE organic semiconductors; organic field-effect transistors; van der Waals heterostructures; rubrene; hexagonal boron nitride (h-BN) ID FIELD-EFFECT TRANSISTORS; CHARGE-TRANSPORT; THIN-FILMS; GRAPHENE; SEMICONDUCTORS; PACKING; STAMPS C1 [Lee, Chul-Ho; Kim, Philip] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Lee, Chul-Ho; Kim, Bumjung; Kang, Seok Ju; Yu, Jaeeun; Nuckolls, Colin] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Schiros, Theanne] Columbia Univ, EFRC, New York, NY 10027 USA. [Santos, Elton J. G.; Kaxiras, Efthimios] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Santos, Elton J. G.; Kaxiras, Efthimios] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Yager, Kevin G.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Lee, Sunwoo] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Watanabe, Kenji; Taniguchi, Takashi] Natl Inst Mat Sci, Adv Mat Lab, Tsukuba, Ibaraki 3050044, Japan. [Hone, James] Columbia Univ, Dept Mech Engn, New York, NY 10027 USA. RP Nuckolls, C (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. EM cn37@columbia.edu; pk2015@columbia.edu RI Yager, Kevin/F-9804-2011; Kang, Seok Ju/B-6836-2015; Hone, James/E-1879-2011; Kim, Philip/N-1886-2013; TANIGUCHI, Takashi/H-2718-2011; WATANABE, Kenji/H-2825-2011 OI Yager, Kevin/0000-0001-7745-2513; Kang, Seok Ju/0000-0002-9921-6674; Hone, James/0000-0002-8084-3301; WATANABE, Kenji/0000-0003-3701-8119 FU Center for Re-defining Photovoltaic Efficiency Through Molecule Scale Control, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; FAME Center; MARCO; DARPA; Nano Material Technology Development Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT and Future Planning [2012M3A7B4049966]; Basic Science Research Program through the National Research Foundation of Korea [357-2011-1-C00035]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; NSF [TG-DMR120049, TG-PHY120021] FX This work was supported as part of the Center for Re-defining Photovoltaic Efficiency Through Molecule Scale Control, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001085, and in part by the FAME Center, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA. P.K. acknowledges the Nano Material Technology Development Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (2012M3A7B4049966). C.-H.L. acknowledges the Basic Science Research Program through the National Research Foundation of Korea (357-2011-1-C00035). GIXD measurements carried out in part at the Center for Functional Nanomaterials, and the National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. E.J.G.S. thanks the computational resources provided by the Extreme Science and Engineering Discovery Environment (XSEDE), supported by NSF grant numbers TG-DMR120049 and TG-PHY120021. NR 33 TC 35 Z9 36 U1 9 U2 159 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 18 BP 2812 EP 2817 DI 10.1002/adma.201304973 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 AG5UP UT WOS:000335484500007 PM 24458727 ER PT J AU Sunkara, S Vendra, VK Jasinski, JB Deutsch, T Andriotis, AN Rajan, K Menon, M Sunkara, M AF Sunkara, Swathi Vendra, Venkat Kalyan Jasinski, Jacek Bogdan Deutsch, Todd Andriotis, Antonis N. Rajan, Krishna Menon, Madhu Sunkara, Mahendra TI New Visible Light Absorbing Materials for Solar Fuels, Ga(Sb-x)N1-x SO ADVANCED MATERIALS LA English DT Article DE solar fuels; photoelectrochemical water splitting; density functional theory (DFT); GaN alloys ID HYDROGEN-PRODUCTION; SOLID-SOLUTION; BAND-GAP; WATER; PHOTOCATALYST; EPILAYERS; ALLOYS C1 [Sunkara, Swathi; Vendra, Venkat Kalyan; Jasinski, Jacek Bogdan; Sunkara, Mahendra] Univ Louisville, Dept Chem Engn, Louisville, KY 40292 USA. [Sunkara, Swathi; Vendra, Venkat Kalyan; Jasinski, Jacek Bogdan; Sunkara, Mahendra] Univ Louisville, Conn Ctr Renewable Energy Res, Louisville, KY 40292 USA. [Deutsch, Todd] Natl Renewable Energy Lab, Golden, CO USA. [Andriotis, Antonis N.] FORTH, IESL, Iraklion, Crete, Greece. [Rajan, Krishna] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA USA. [Menon, Madhu] Univ Kentucky, Ctr Computat Sci, Lexington, KY USA. [Menon, Madhu] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. RP Sunkara, M (reprint author), Univ Louisville, Dept Chem Engn, Louisville, KY 40292 USA. EM mahendra@louisville.edu FU DOE EPSCOR [DE-FG02-07ER46375]; NSF SOLAR [DMS 1125909] FX The authors acknowledge primary funding support from DOE EPSCOR (Grant # DE-FG02-07ER46375), access to facilities at the Conn Center for Renewable Energy Research. The support from the NSF SOLAR project (DMS 1125909) was used for validating the Raman data through diamond anvil cell studies on GaN and its alloys. NR 29 TC 7 Z9 7 U1 10 U2 105 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 18 BP 2878 EP 2882 DI 10.1002/adma.201305083 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 AG5UP UT WOS:000335484500018 PM 24536005 ER PT J AU Ji, LW Gu, M Shao, YY Li, XL Engelhard, MH Arey, BW Wang, W Nie, ZM Xiao, J Wang, CM Zhang, JG Liu, J AF Ji, Liwen Gu, Meng Shao, Yuyan Li, Xiaolin Engelhard, Mark H. Arey, Bruce W. Wang, Wei Nie, Zimin Xiao, Jie Wang, Chongmin Zhang, Ji-Guang Liu, Jun TI Controlling SEI Formation on SnSb-Porous Carbon Nanofibers for Improved Na Ion Storage SO ADVANCED MATERIALS LA English DT Article DE Na-ion battery; solid electrolyte interphase (SEI) layer; fluoroethylene carbonate (FEC); electrochemical performance ID SOLID-ELECTROLYTE INTERPHASE; TRANSFORM INFRARED-SPECTROSCOPY; RAY PHOTOELECTRON-SPECTROSCOPY; LONG CYCLE LIFE; ANODE MATERIAL; ELECTROCHEMICAL PERFORMANCE; NEGATIVE ELECTRODE; SURFACE-CHEMISTRY; ENERGY-STORAGE; HIGH-CAPACITY C1 [Ji, Liwen; Gu, Meng; Shao, Yuyan; Li, Xiaolin; Engelhard, Mark H.; Arey, Bruce W.; Wang, Wei; Nie, Zimin; Xiao, Jie; Wang, Chongmin; Zhang, Ji-Guang; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jun.liu@pnnl.gov RI Shao, Yuyan/A-9911-2008; Wang, Wei/F-4196-2010; Gu, Meng/B-8258-2013; OI Shao, Yuyan/0000-0001-5735-2670; Wang, Wei/0000-0002-5453-4695; Engelhard, Mark/0000-0002-5543-0812 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830] FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award KC020105-FWP12152. The characterizations were performed using the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 53 TC 125 Z9 127 U1 41 U2 289 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 18 BP 2901 EP 2908 DI 10.1002/adma.201304962 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 AG5UP UT WOS:000335484500022 PM 24677091 ER PT J AU Xiao, ZG Yuan, YB Yang, B VanDerslice, J Chen, JH Dyck, O Duscher, G Huang, JS AF Xiao, Zhengguo Yuan, Yongbo Yang, Bin VanDerslice, Jeremy Chen, Jihua Dyck, Ondrej Duscher, Gerd Huang, Jinsong TI Universal Formation of Compositionally Graded Bulk Heterojunction for Efficiency Enhancement in Organic Photovoltaics SO ADVANCED MATERIALS LA English DT Article ID POLYMER SOLAR-CELLS; POWER-CONVERSION EFFICIENCY; LOW-BANDGAP POLYMER; SELF-ORGANIZATION; PHASE-SEPARATION; MORPHOLOGY; BLENDS; PERFORMANCE; RECOMBINATION; ADDITIVES C1 [Xiao, Zhengguo; Yuan, Yongbo; Yang, Bin; VanDerslice, Jeremy; Huang, Jinsong] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA. [Xiao, Zhengguo; Yuan, Yongbo; Yang, Bin; VanDerslice, Jeremy; Huang, Jinsong] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. [VanDerslice, Jeremy] JA Wollam Co Inc, Lincoln, NE 68508 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Dyck, Ondrej; Duscher, Gerd] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Huang, JS (reprint author), Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA. EM jhuang2@unl.edu RI Chen, Jihua/F-1417-2011; Yang, Bin/P-8529-2014; Dyck, Ondrej/A-3294-2016; Duscher, Gerd/G-1730-2014 OI Chen, Jihua/0000-0001-6879-5936; Yang, Bin/0000-0002-5667-9126; Dyck, Ondrej/0000-0001-8200-9874; Duscher, Gerd/0000-0002-2039-548X FU National Science Foundation [ECCS-1201384, ECCS-1252623]; SEERC; TNSCORE FX J. Huang thanks the financial support by the National Science Foundation under Awards ECCS-1201384 and ECCS-1252623. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy. G. Duscher thanks funding from SEERC and TNSCORE. The authors declare that they have no competing financial interests. NR 46 TC 54 Z9 54 U1 9 U2 51 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY PY 2014 VL 26 IS 19 BP 3068 EP 3075 DI 10.1002/adma.201305196 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 AH1GW UT WOS:000335869100016 PM 24615999 ER PT J AU Dugger, MT Scharf, TW Prasad, SV AF Dugger, M. T. Scharf, T. W. Prasad, S. V. TI Materials in Space: Exploring the Effect of Low Earth Orbit on Thin Film Solid Lubricants SO ADVANCED MATERIALS & PROCESSES LA English DT Article ID MOS2 C1 [Dugger, M. T.; Scharf, T. W.; Prasad, S. V.] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. RP Dugger, MT (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, POB 5800, Albuquerque, NM 87185 USA. EM mt-dugge@sandia.gov; svprasa@sandia.gov FU U.S. DOE's National Nuclear Security [DE-AC04-94AL85000] FX The authors thank Paul Kotula for TEM analysis and Andre Claudet for supporting the MISSE-7 tribological analysis. MoS2/Sb2O3/Au and DLN coatings were provided by Andy Korenyi-Both (Tribologix Inc.) and Chandra Venkatraman (Bekeart Advanced Coatings Technologies), respectively. The MISSE-7 project for Sandia National Laboratories was led by Gayle Thayer. Sandia National Laboratories (SNL) is a multiprogram laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 10 TC 1 Z9 1 U1 1 U2 6 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 MAY PY 2014 VL 172 IS 5 BP 32 EP 35 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA AH5VE UT WOS:000336198400004 ER PT J AU Chen, JF Tanguay, RL Tal, TL Gai, ZX Ma, X Bai, CL Tilton, SC Jin, DQ Yang, DR Huang, CJ Dong, QX AF Chen, Jiangfei Tanguay, Robert L. Tal, Tamara L. Gai, Zengxin Ma, Xue Bai, Chenglian Tilton, Susan C. Jin, Daqing Yang, Dongren Huang, Changjiang Dong, Qiaoxiang TI Early life perfluorooctanesulphonic acid (PFOS) exposure impairs zebrafish organogenesis SO AQUATIC TOXICOLOGY LA English DT Article DE Zebrafish embryo; Perfluorooctanesulfonic acid; Swim bladder; Gut; Developmental toxicity ID GENE-EXPRESSION; SULFONATE PFOS; OXIDATIVE STRESS; PERFLUORINATED COMPOUNDS; TOXICITY EVALUATION; PROTEIN PROFILES; DANIO-RERIO; LUNG; EMBRYOS; APOPTOSIS AB As a persistent organic contaminant, perfluorooctanesulphonic acid (PFOS) has been widely detected in the environment, wildlife, and humans. The present study revealed that zebrafish embryos exposed to 16 mu M PFOS during a sensitive window of 48-96 hour post-fertilization (hpf) disrupted larval morphology at 120 hpf. Malformed zebrafish larvae were characterized by uninflated swim bladder, less developed gut, and curved spine. Histological and ultrastructural examination of PFOS-exposed larvae showed structural alterations in swim bladder and gut. Whole genome microarray was used to identify the early transcripts dysregulated following exposure to 16 mu M PFOS at 96 hpf. In total, 1278 transcripts were significantly misexpressed (p < 0.05) and 211 genes were changed at least two-fold upon PFOS exposure in comparison to the vehicle-exposed control group. A PFOS-induced network of perturbed transcripts relating to swim bladder and gut development revealed that misexpression of genes were involved in organogenesis. Taken together, early life stage exposure to PFOS perturbs various molecular pathways potentially resulting in observed defects in swim bladder and gut development. (C) 2014 Elsevier B.V. All rights reserved. C1 [Chen, Jiangfei; Gai, Zengxin; Ma, Xue; Bai, Chenglian; Jin, Daqing; Yang, Dongren; Huang, Changjiang; Dong, Qiaoxiang] Wenzhou Med Univ, Inst Environm Safety & Human Hlth, Zhejiang Prov Key Lab Technol & Applicat Model Or, Wenzhou 325035, Peoples R China. [Tanguay, Robert L.; Tal, Tamara L.] Oregon State Univ, Sinnhuber Aquat Res Lab, Corvallis, OR 97333 USA. [Tanguay, Robert L.; Tal, Tamara L.] Oregon State Univ, Environm Hlth Sci Ctr, Corvallis, OR 97333 USA. [Tilton, Susan C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Huang, CJ (reprint author), Wenzhou Med Univ, Inst Environm Safety & Human Hlth, Zhejiang Prov Key Lab Technol & Applicat Model Or, Wenzhou 325035, Peoples R China. EM cjhuang5711@163.com; dqxdong@163.com RI Dong, Qiaoxiang/F-1918-2010; Huang, Changjiang/F-2644-2010; OI Dong, Qiaoxiang/0000-0003-4003-7919; Tal, Tamara/0000-0001-8365-9385 FU National Natural Science Foundation of China [21277104]; Key Project of Zhejiang Provincial Natural Science Foundation [LZ138070001]; National Institute of Environmental Health Sciences [P30 ES00210, P42 ES016465] FX We thank Zhouxi Fang for technical help with TEM. This work was supported by funding from the National Natural Science Foundation of China (No. 21277104), the Key Project of Zhejiang Provincial Natural Science Foundation (LZ138070001), and the National Institute of Environmental Health Sciences grants #P30 ES00210 and P42 ES016465. NR 48 TC 10 Z9 10 U1 3 U2 41 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-445X EI 1879-1514 J9 AQUAT TOXICOL JI Aquat. Toxicol. PD MAY PY 2014 VL 150 BP 124 EP 132 DI 10.1016/j.aquatox.2014.03.005 PG 9 WC Marine & Freshwater Biology; Toxicology SC Marine & Freshwater Biology; Toxicology GA AH5RF UT WOS:000336187900014 PM 24667235 ER PT J AU Tao, L He, X Tan, ECD Zhang, M Aden, A AF Tao, Ling He, Xin Tan, Eric C. D. Zhang, Min Aden, Andy TI Comparative techno-economic analysis and reviews of n- butanol production from corn grain and corn stover SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR LA English DT Article DE techno-economic analysis; n-butanol; biofuel; lignocellulosic feedstocks; integrated process; hybrid reaction separation; continuous fermentation ID CLOSTRIDIUM-BEIJERINCKII BA101; ACETONE-BUTANOL; ETHANOL ABE; EXTRACTIVE FERMENTATION; AGRICULTURAL RESIDUES; ESCHERICHIA-COLI; BIOFILM REACTOR; REMOVE BUTANOL; MUTANT STRAIN; DEGERMED CORN AB This work presents a detailed review and comparative analysis of the process design and economics of n-butanol production using corn grain and corn stover. This includes reviewing the most recent n-butanol technologies; demonstrating the impact of key parameters (e.g. plant capacity, raw material pricing, yield) on the overall n-butanol process economics; and comparing how cellulosic biomass conversion technologies and challenges differ from traditional sugar-based n-butanol conversion technology. A major challenge of n-butanol production is the low n-butanol yield (compared to ethanol), resulting in higher production costs. However, recent research efforts have achieved significant yield improvements using a combination of genetic engineering, fermentation techniques, and integrated process development using continuous fermentation with online stripping to remove n-butanol during fermentation. This study presents the advances in n-butanol research for both sugar-based (corn) and cellulosic (corn stover) feedstocks, and also provides a comparison of overall process technologies and process economics. In addition, the results of a sensitivity analysis comparing various technologies, sugar yields, and coproduct distributions are discussed in order to provide research guidance. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Tao, Ling; He, Xin; Tan, Eric C. D.; Aden, Andy] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zhang, Min] Natl Renewable Energy Lab, Natl Bioengy Ctr, Golden, CO 80401 USA. RP Tao, L (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM ling.tao@nrel.gov FU US Department of Energy, Bioenergy Technologies Office [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX The work was supported by the US Department of Energy, Bioenergy Technologies Office. under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. We appreciate all the editing help from our technical editor, Sara M. Havig. NR 87 TC 17 Z9 17 U1 6 U2 47 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-104X EI 1932-1031 J9 BIOFUEL BIOPROD BIOR JI Biofuels Bioprod. Biorefining PD MAY PY 2014 VL 8 IS 3 BP 342 EP 361 DI 10.1002/bbb.1462 PG 20 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AG8ID UT WOS:000335661100016 ER PT J AU Johnson, PI Sutton, P Atchley, D Koustas, E Lam, J Sen, S Robinson, K Axelrad, D Woodruff, TJ AF Johnson, P., I Sutton, P. Atchley, D. Koustas, E. Lam, J. Sen, S. Robinson, K. Axelrad, D. Woodruff, T. J. TI The Navigation Guide Systematic Review Methodology Proof of Concept: PFOA and Fetal Growth SO BIRTH DEFECTS RESEARCH PART A-CLINICAL AND MOLECULAR TERATOLOGY LA English DT Meeting Abstract C1 [Johnson, P., I; Sutton, P.; Atchley, D.; Sen, S.; Woodruff, T. J.] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Koustas, E.] US EPA, ORISE, Off Policy, Washington, DC 20460 USA. [Lam, J.; Robinson, K.] Johns Hopkins Univ, Baltimore, MD USA. [Axelrad, D.] US EPA, Off Policy, Washington, DC 20460 USA. NR 0 TC 0 Z9 0 U1 3 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1542-0752 EI 1542-0760 J9 BIRTH DEFECTS RES A JI Birth Defects Res. Part A-Clin. Mol. Teratol. PD MAY PY 2014 VL 100 IS 5 SI SI BP 395 EP 395 PG 1 WC Developmental Biology; Toxicology SC Developmental Biology; Toxicology GA AH7AG UT WOS:000336283800067 ER PT J AU Bae, S Meral, C Oh, JE Moon, J Kunz, M Monteiro, PJM AF Bae, Sungchul Meral, Cagla Oh, Jae-eun Moon, Juhyuk Kunz, Martin Monteiro, Paulo J. M. TI Characterization of morphology and hydration products of high-volume fly ash paste by monochromatic scanning x-ray micro-diffraction (mu-SXRD) SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE High-volume fly ash; Microstructure (B); C-S-H(I); Scanning transmission x-ray micro-diffraction; Stratlingite ID C-S-H; CALCIUM-SILICATE-HYDRATE; HIGH-ALUMINA CEMENT; MECHANICAL-PROPERTIES; DRYING SHRINKAGE; BLENDED CEMENTS; PORTLAND-CEMENT; STRENGTH; CONCRETE; SLAG AB The present study focuses on identification and micro-structural characterization of the hydration products formed in high-volume fly ash (HVFA)/portland cement (PC) systems using monochromatic scanning x-ray micro-diffraction (mu-SXRD) and SEM-EDS. Pastes with up to 80% fly ash replacement were studied. Phase maps for HVFA samples using mu-SXRD patterns prove that mu-SXRD is an effective method to identify and visualize the distribution of phases in the matrix. mu-SXRD and SEM-EDS analysis shows that the C-S-H formed in HVFA system containing 50% or more of fly ash has a similar structure as C-S-H(1) with comparatively lower Ca/Si ratio than the one produced in PC system. Moreover, coexistence of C-S-H(1) and stratlingite is observed in the system containing 80% of fly ash, confirming that the amount of alumina and silicate phases provided by the fly ash is a major factor for the formation of C-S-H(I) and stratlingite in HVFA system. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Bae, Sungchul; Meral, Cagla; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Meral, Cagla] Middle E Tech Univ, Dept Civil Engn, TR-06800 Ankara, Turkey. [Oh, Jae-eun] Ulsan Natl Inst Sci & Technol, Sch Urban & Environm Engn, Ulsan 689798, South Korea. [Moon, Juhyuk] SUNY Stony Brook, Dept Mech Engn, Civil Engn Program, Stony Brook, NY 11794 USA. [Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu RI Moon, Juhyuk/B-7009-2016; Meral, Cagla/K-8590-2013 OI Moon, Juhyuk/0000-0002-7049-892X; Meral, Cagla/0000-0001-8720-1216 FU Republic of Singapore's National Research Foundation; NIST [60NANB10D014]; Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; University of California, Berkeley FX The authors thank Dr. Rae Taylor and Dr. Gabriel Jen for insightful comments. This research is funded by the Republic of Singapore's National Research Foundation through a grant to the Berkeley Education Alliance for Research in Singapore (BEARS) for the Singapore-Berkeley Building Efficiency and Sustainability in the Tropics (SinBerBEST) Program. BEARS has been established by the University of California, Berkeley as a center for intellectual excellence in research and education in Singapore. The NIST Grant No. 60NANB10D014 is also acknowledged. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and University of California, Berkeley. NR 51 TC 6 Z9 6 U1 2 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 EI 1873-3948 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD MAY PY 2014 VL 59 BP 155 EP 164 DI 10.1016/j.cemconres.2014.03.001 PG 10 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA AH7XY UT WOS:000336349900015 ER PT J AU Bare, SR Charochak, ME Kelly, SD Lai, B Wang, J Chen-Wiegart, YCK AF Bare, Simon R. Charochak, Meghan E. Kelly, Shelly D. Lai, Barry Wang, Jun Chen-Wiegart, Yu-chen Karen TI Characterization of a Fluidized Catalytic Cracking Catalyst on Ensemble and Individual Particle Level by X-ray Micro-and Nanotomography, Micro-X-ray Fluorescence, and Micro-X-ray Diffraction SO CHEMCATCHEM LA English DT Article DE cracking; fluorescence spectroscopy; heterogeneous catalysis; lanthanum; surface analysis ID FCC CATALYSTS; Y-ZEOLITES; DEACTIVATION; SPECTROSCOPY; VANADIUM; ACIDITY; NICKEL; WORK AB A combination of advanced characterization techniques: synchrotron X-ray micro- and nanotomography, micro-X-ray fluorescence, and micro-XRD have been used to characterize a commercial spent equilibrium fluid catalytic cracking catalyst (ECAT) at both the ensemble and individual particle level. At the ensemble level, X-ray microtomography was used to determine the average size, shape, and respective distributions of over 1200 individual catalyst particles. This information is important to determine performance in commercial operation. It is shown that a large fraction of the particles contained large internal voids (5-80m diameter), and these voids likely aid the accessibility for large hydrocarbon molecules. At the individual particle level, by using X-ray nanotomography, these voids were visualized at a much smaller scale (approximate to 100nm-12m in diameter). In addition, the individual phases that are present in the particle, for example, TiO2 and clay, are readily visualized in 3D. Micro-X-ray fluorescence (XRF) was used to map, and semiquantitatively determine, both the contaminant (Ni, V, Fe) and inherent (La) catalyst elemental distributions. The distribution of zeoliteY in the ECAT particle was inferred from the La XRF map. Micro-XRD determined the lattice constant of the zeoliteY at the individual catalyst particle level. This in-depth characterization study at the ensemble and individual ECAT particle level presents a robust methodology that provides an understanding of the ECAT at both the micro- and nanometer scales. C1 [Bare, Simon R.; Charochak, Meghan E.; Kelly, Shelly D.] UOP LLC, Des Plaines, IL 60016 USA. [Lai, Barry] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wang, Jun; Chen-Wiegart, Yu-chen Karen] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Bare, SR (reprint author), UOP LLC, Des Plaines, IL 60016 USA. OI Bare, Simon/0000-0002-4932-0342 FU U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. DOE [DE-AC02-06CH11357] FX Maryann Vanek and Bob Broach are thanked for their help with the XRD, Amanda Stolarski for the SEM, and Zhonghou Cai for the micro-XRD. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. DOE Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 42 TC 13 Z9 13 U1 4 U2 40 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD MAY PY 2014 VL 6 IS 5 BP 1427 EP 1437 DI 10.1002/cctc.201300974 PG 11 WC Chemistry, Physical SC Chemistry GA AH2BT UT WOS:000335926400037 ER PT J AU Xiao, J Meduri, P Chen, HH Wang, ZG Gao, F Hu, JZ Feng, J Hu, M Dai, S Brown, S Adcock, JL Deng, ZQ Liu, J Graff, GL Aksay, IA Zhang, JG AF Xiao, Jie Meduri, Praveen Chen, Honghao Wang, Zhiguo Gao, Fei Hu, Jianzhi Feng, Ju Hu, Mary Dai, Sheng Brown, Suree Adcock, Jamie L. Deng, Zhiqun Liu, Jun Graff, Gordon L. Aksay, Ilhan A. Zhang, Ji-Guang TI Energetics of Defects on Graphene through Fluorination SO CHEMSUSCHEM LA English DT Article DE density functional calculations; energy storage; fluorine; graphene; NMR spectroscopy ID MOLECULAR-DYNAMICS SIMULATIONS; FUNCTIONALIZED GRAPHENE; GRAPHITE OXIDE; IRRADIATION; SHEETS; PSEUDOPOTENTIALS; MONOFLUORIDE; CARBON; STATE AB Functionalized graphene sheets (FGSs) comprise a unique member of the carbon family, demonstrating excellent electrical conductivity and mechanical strength. However, the detailed chemical composition of this material is still unclear. Herein, we take advantage of the fluorination process to semiquantitatively probe the defects and functional groups on graphene surface. Functionalized graphene sheets are used as substrate for low-temperature (<150 degrees C) direct fluorination. The fluorine content has been modified to investigate the formation mechanism of different functional groups such as CF, CF2, OCF2 and (CO)F during fluorination. The detailed structure and chemical bonds are simulated by density functional theory (DFT) and quantified experimentally by nuclear magnetic resonance (NMR). The electrochemical properties of fluorinated graphene are also discussed extending the use of graphene from fundamental research to practical applications. C1 [Xiao, Jie; Meduri, Praveen; Chen, Honghao; Wang, Zhiguo; Gao, Fei; Hu, Jianzhi; Feng, Ju; Hu, Mary; Deng, Zhiqun; Liu, Jun; Graff, Gordon L.; Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99352 USA. [Dai, Sheng; Brown, Suree; Adcock, Jamie L.] Univ Tennessee, Knoxville, TN 37996 USA. [Dai, Sheng; Brown, Suree; Adcock, Jamie L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Aksay, Ilhan A.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jie.xiao@pnnl.gov; jun.liu@pnnl.gov; ji-guang.zhang@pnnl.gov RI Aksay, Ilhan/B-9281-2008; Hu, Jian Zhi/F-7126-2012; Wang, Zhiguo/B-7132-2009; Deng, Daniel/A-9536-2011; Dai, Sheng/K-8411-2015 OI Deng, Daniel/0000-0002-8300-8766; Dai, Sheng/0000-0002-8046-3931 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE [DE-AC05-76L01830]; (DOE) Office of Biological and Environmental Research, located at PNNL; DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX This research was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152 and was conducted at the Pacific Northwest National Laboratory (PNNL) which is operated by Battelle for DOE under Contract DE-AC05-76L01830. The modeling and NMR work were performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by (DOE) Office of Biological and Environmental Research, located at PNNL. The fluorination was conducted at UTK and sponsored by the DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. The authors also thank Ms. Yunya Dai for the help in plotting the modeling figures. NR 32 TC 4 Z9 4 U1 8 U2 81 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1864-5631 EI 1864-564X J9 CHEMSUSCHEM JI ChemSusChem PD MAY PY 2014 VL 7 IS 5 SI SI BP 1295 EP 1300 DI 10.1002/cssc.201301066 PG 6 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AH6OD UT WOS:000336249400008 PM 24520018 ER PT J AU Li, JF Wen, KC He, WD Wang, XN Lu, WQ Yan, PF Song, YQ Lu, HL Lin, X Dickerson, JH AF Li Jun-Fan Wen Ke-Chun He Wei-Dong Wang Xiao-Ning Lu Wei-Qiang Yan Peng-Fei Song Yuan-Qiang Lu Hong-Liang Lin Xiao Dickerson, J. H. TI Coulombic interaction in the colloidal oriented-attachment growth of tetragonal nanorods SO CHINESE PHYSICS B LA English DT Article DE Coulombic interaction; oriented-attachment growth; tetragonal nanorod; nanoparticle ID MAGNETIC-PROPERTIES; NANOPARTICLES; KINETICS AB In this report, the analytical expression of Coulombic interaction between a spherical nanoparticle and a tetragonal nanorod is derived. To evaluate the Coulombic interaction in the oriented attachment growth of tetragonal nanorods, we analyze the correlation between the Coulombic interaction and the important growth parameters, including: nanoparticle-nanorod separation, aspect ratio of the nanorods, and surface charge density. Our work opens up the opportunity to investigate interparticle interactions in the oriented attachment growth of tetragonal nanorods. C1 [Li Jun-Fan; Wen Ke-Chun; He Wei-Dong; Wang Xiao-Ning; Lu Wei-Qiang; Yan Peng-Fei; Song Yuan-Qiang] Univ Elect Sci & Technol China, Sch Energy Sci & Engn, Chengdu 611731, Peoples R China. [Li Jun-Fan; Wen Ke-Chun] Univ Elect Sci & Technol China, Sch Life Sci & Technol, Chengdu 611731, Peoples R China. [Lu Hong-Liang; Lin Xiao] Univ Chinese Acad Sci, Sch Phys, Beijing 100049, Peoples R China. [Dickerson, J. H.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Dickerson, J. H.] Brown Univ, Dept Phys, Providence, RI 02912 USA. RP He, WD (reprint author), Univ Elect Sci & Technol China, Sch Energy Sci & Engn, Chengdu 611731, Peoples R China. EM weidong.he@uestc.edu.cn; xlin@ucas.ac.cn RI Dickerson, James/F-7950-2013; Lin, Xiao/B-5055-2009 OI Dickerson, James/0000-0001-9636-6303; FU UESTC FX He Wei-Dong acknowledges the startup fund from UESTC. NR 22 TC 2 Z9 2 U1 1 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1674-1056 EI 1741-4199 J9 CHINESE PHYS B JI Chin. Phys. B PD MAY PY 2014 VL 23 IS 5 AR 056103 DI 10.1088/1674-1056/23/5/056103 PG 5 WC Physics, Multidisciplinary SC Physics GA AH4FF UT WOS:000336081900063 ER PT J AU Liu, Q Logan, J Tian, Y Abbasi, H Podhorszki, N Choi, JY Klasky, S Tchoua, R Lofstead, J Oldfield, R Parashar, M Samatova, N Schwan, K Shoshani, A Wolf, M Wu, KS Yu, WK AF Liu, Qing Logan, Jeremy Tian, Yuan Abbasi, Hasan Podhorszki, Norbert Choi, Jong Youl Klasky, Scott Tchoua, Roselyne Lofstead, Jay Oldfield, Ron Parashar, Manish Samatova, Nagiza Schwan, Karsten Shoshani, Arie Wolf, Matthew Wu, Kesheng Yu, Weikuan TI Hello ADIOS: the challenges and lessons of developing leadership class I/O frameworks SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article DE high performance computing; high performance I; O; I; O middleware AB Applications running on leadership platforms are more and more bottlenecked by storage input/output (I/O). In an effort to combat the increasing disparity between I/O throughput and compute capability, we created Adaptable IO System (ADIOS) in 2005. Focusing on putting users first with a service oriented architecture, we combined cutting edge research into new I/O techniques with a design effort to create near optimal I/O methods. As a result, ADIOS provides the highest level of synchronous I/O performance for a number of mission critical applications at various Department of Energy Leadership Computing Facilities. Meanwhile ADIOS is leading the push for next generation techniques including staging and data processing pipelines. In this paper, we describe the startling observations we have made in the last half decade of I/O research and development, and elaborate the lessons we have learned along this journey. We also detail some of the challenges that remain as we look toward the coming Exascale era. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Liu, Qing; Abbasi, Hasan; Podhorszki, Norbert; Choi, Jong Youl; Klasky, Scott; Tchoua, Roselyne; Samatova, Nagiza] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Logan, Jeremy; Tian, Yuan] Univ Tennessee, RDAV, Oak Ridge, TN USA. [Lofstead, Jay; Oldfield, Ron] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Parashar, Manish] Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08855 USA. [Samatova, Nagiza] N Carolina State Univ, Raleigh, NC 27695 USA. [Schwan, Karsten; Wolf, Matthew] Georgia Tech, Atlanta, GA USA. [Yu, Weikuan] Auburn Univ, Auburn, AL 36849 USA. [Shoshani, Arie; Wu, Kesheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Klasky, S (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM klasky@ornl.gov NR 50 TC 18 Z9 18 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1532-0626 EI 1532-0634 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD MAY PY 2014 VL 26 IS 7 BP 1453 EP 1473 DI 10.1002/cpe.3125 PG 21 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA AE9MS UT WOS:000334332500005 ER PT J AU Groocock, LM Nie, MH Prudden, J Moiani, D Wang, T Cheltsov, A Rambo, RP Arvai, AS Hitomi, C Tainer, JA Luger, K Perry, JJP Lazzerini-Denchi, E Boddy, MN AF Groocock, Lynda M. Nie, Minghua Prudden, John Moiani, Davide Wang, Tao Cheltsov, Anton Rambo, Robert P. Arvai, Andrew S. Hitomi, Chiharu Tainer, John A. Luger, Karolin Perry, J. Jefferson P. Lazzerini-Denchi, Eros Boddy, Michael N. TI RNF4 interacts with both SUMO and nucleosomes to promote the DNA damage response SO EMBO REPORTS LA English DT Article DE SUMO-targeted E3 ubiquitin ligase (STUbL); small ubiquitin-like modifier; RNF4; ubiquitin; telomere ID DOUBLE-STRAND BREAKS; UBIQUITIN E3 LIGASE; DYSFUNCTIONAL TELOMERES; END PROTECTION; COMPLEX; REPAIR; ATM; CANCER; SUMOYLATION; CELLS AB The post-translational modification of DNA repair and checkpoint proteins by ubiquitin and small ubiquitin-like modifier (SUMO) critically orchestrates the DNA damage response (DDR). The ubiquitin ligase RNF4 integrates signaling by SUMO and ubiquitin, through its selective recognition and ubiquitination of SUMO-modified proteins. Here, we define a key new determinant for target discrimination by RNF4, in addition to interaction with SUMO. We identify a nucleosome-targeting motif within the RNF4 RING domain that can bind DNA and thereby enables RNF4 to selectively ubiquitinate nucleosomal histones. Furthermore, RNF4 nucleosome-targeting is crucially required for the repair of TRF2-depleted dysfunctional telomeres by 53BP1-mediated non-homologous end joining. C1 [Groocock, Lynda M.; Nie, Minghua; Prudden, John; Boddy, Michael N.] Scripps Res Inst, Dept Cell & Mol Biol, La Jolla, CA 92037 USA. [Moiani, Davide; Arvai, Andrew S.; Hitomi, Chiharu; Tainer, John A.; Perry, J. Jefferson P.] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. [Wang, Tao; Luger, Karolin] Colorado State Univ, Dept Biochem & Mol Biol, Howard Hughes Med Inst, Ft Collins, CO 80523 USA. [Cheltsov, Anton] Q MOL LLC, San Diego, CA USA. [Rambo, Robert P.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Perry, J. Jefferson P.] Amrita Vishwa Vidyapeetham, Amrita Sch Biotechnol, Kollam, Kerala, India. [Lazzerini-Denchi, Eros] Scripps Res Inst, Dept Mol & Expt Med, La Jolla, CA 92037 USA. RP Boddy, MN (reprint author), Scripps Res Inst, Dept Cell & Mol Biol, La Jolla, CA 92037 USA. EM jjperry@scripps.edu; edenchi@scripps.edu; nboddy@scripps.edu RI lazzerini denchi, eros/F-7913-2010 OI lazzerini denchi, eros/0000-0001-5378-4644 FU Leukemia & Lymphoma Society; NIH [GM068608, GM081840, GM088409, AR059968, AG038677]; Pew Scholars Award; Novartis Advanced Discovery Institute; IDAT program - DOE Office of Biological and Environmental Research plus NIH Grants [GM105404, CA092584] FX M.N.B. is supported by a Scholar Award from the Leukemia & Lymphoma Society. This study was funded by NIH Grants GM068608 and GM081840 awarded to M.N.B., GM088409 to K.L., AR059968 to J.J.P.P., a Pew Scholars Award, the Novartis Advanced Discovery Institute and NIH grant AG038677 to E.L.D. X-ray scattering and diffraction technologies at the SIBYLS beamline (BL12.3.1) are funded by the IDAT program, supported by DOE Office of Biological and Environmental Research plus NIH Grants GM105404 and CA092584. NR 41 TC 12 Z9 12 U1 0 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1469-221X EI 1469-3178 J9 EMBO REP JI EMBO Rep. PD MAY PY 2014 VL 15 IS 5 BP 601 EP 608 DI 10.1002/embr.201338369 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AG7EC UT WOS:000335579900026 PM 24714598 ER PT J AU Scott, MJ Daly, DS Zhou, YY Rice, JS Patel, PL McJeon, HC Kyle, GP Kim, SH Eom, JY Clarke, LE AF Scott, Michael J. Daly, Don S. Zhou, Yuyu Rice, Jennie S. Patel, Pralit L. McJeon, Haewon C. Kyle, G. Page Kim, Son H. Eom, Jiyong Clarke, Leon E. TI Evaluating sub-national building-energy efficiency policy options under uncertainty: Efficient sensitivity testing of alternative climate, technological, and socioeconomic futures in a regional integrated-assessment model SO ENERGY ECONOMICS LA English DT Article DE Climate change; Mitigation and adaptation; Integrated-assessment; Sensitivity analysis; Design of computer experiments; Integrated-assessment modeling ID SYSTEM MODEL; TRANSPORTATION; MITIGATION; SIMULATION; FRAMEWORK; US AB Improving the energy efficiency of building stock, commercial equipment, and household appliances can have a major positive impact on energy use, carbon emissions, and building services. Sub-national regions such as the U.S. states wish to increase energy efficiency, reduce carbon emissions, or adapt to climate change. Evaluating sub-national policies to reduce energy use and emissions is difficult because of the large uncertainties in socioeconomic factors, technology performance and cost and energy and climate policies. Climate change itself may undercut such policies. However, assessing all of the uncertainties of large-scale energy and climate models by performing thousands of model runs can be a significant modeling effort with its accompanying computational burden. By applying fractional-factorial methods to the GCAM-USA 50-state integrated-assessment model in the context of a particular policy question, this paper demonstrates how a decision-focused sensitivity analysis strategy can greatly reduce computational burden in the presence of uncertainty and reveal the important drivers for decisions and more detailed uncertainty analysis. (C) 2014 Elsevier B.V. All rights reserved. C1 [Scott, Michael J.; Daly, Don S.; Rice, Jennie S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhou, Yuyu; Patel, Pralit L.; McJeon, Haewon C.; Kyle, G. Page; Kim, Son H.; Eom, Jiyong; Clarke, Leon E.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Scott, MJ (reprint author), Pacific NW Natl Lab, POB 999,Mail Stop K6-05, Richland, WA 99352 USA. EM michael.scott@pnnl.gov; don.daly@pnnl.gov; Yuyu.Zhou@pnnl.gov; Jennie.Rice@pnnl.gov; pralit.patel@pnnl.gov; Haewon.McJeon@pnnl.gov; pkyle@pnnl.gov; skim@pnnl.gov; Jiyong.Eom@pnnl.gov; leon.clarke@pnnl.gov RI Eom, Jiyong/A-1161-2014 NR 42 TC 3 Z9 3 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PD MAY PY 2014 VL 43 BP 22 EP 33 DI 10.1016/j.eneco.2014.01.012 PG 12 WC Economics SC Business & Economics GA AH4PI UT WOS:000336110100004 ER PT J AU Cai, W Singham, DI Craparo, EM White, JA AF Cai, W. Singham, D. I. Craparo, E. M. White, J. A. TI Pricing Contracts Under Uncertainty in a Carbon Capture and Storage Framework SO ENERGY ECONOMICS LA English DT Article DE Carbon capture and storage; Pricing; Uncertainty quantification ID FOSSIL-FUEL POWER; CO2 CAPTURE; PERFORMANCE AB Carbon capture and storage (CCS) has been demonstrated as a viable option for reducing carbon emissions to the atmosphere. We consider a situation where a tax on emissions is imposed on carbon dioxide (CO2) producers to encourage their participation in CCS. Operators of CO2 transportation pipelines and storage sites enter into individual contracts with emissions producers to store CO2. We study the problem of selecting the optimal price and volume of these contracts under both cost and emissions uncertainty to optimize the storage operators expected profit. (C) 2014 Elsevier B.V. All rights reserved. C1 [Cai, W.] New Jersey Inst Technol, Newark, NJ 07102 USA. [Singham, D. I.; Craparo, E. M.] Naval Postgrad Sch, Monterey, CA USA. [White, J. A.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Cai, W (reprint author), New Jersey Inst Technol, Dept Mech & Ind Engn, Newark, NJ 07102 USA. OI Cai, Wenbo/0000-0002-6448-4900 NR 17 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PD MAY PY 2014 VL 43 BP 56 EP 62 DI 10.1016/j.eneco.2014.02.003 PG 7 WC Economics SC Business & Economics GA AH4PI UT WOS:000336110100008 ER PT J AU French, RJ Stunkel, J Black, S Myers, M Yung, MM Iisa, K AF French, Richard J. Stunkel, James Black, Stuart Myers, Michele Yung, Matthew M. Iisa, Kristiina TI Evaluate Impact of Catalyst Type on Oil Yield and Hydrogen Consumption from Mild Hydrotreating SO ENERGY & FUELS LA English DT Article ID FAST PYROLYSIS OIL; BIO-OIL; ACID; MODEL AB Bio-oil derived by fast pyrolysis of biomass represents a potentially attractive source of hydrocarbon transportation fuels. Raw bio-oil, however, is unsuitable for application as a fuel due primarily to high organic oxygen content, which imparts a number of undesirable properties including high acidity and low stability. These problems can be overcome by catalytic hydrodeoxygenation; however, removing oxygen to very low levels by hydrotreating carries a strong economic penalty. Mild hydrotreating (where moderate levels of deoxygenation take place) coupled with coprocessing in a petroleum refinery represents an alternative to deep hydrotreating which may improve the economics of manufacture of hydrocarbon transportation fuels from biomass. This study reports on the effect of catalyst type on the quality of bio-oil produced via mild hydrotreating in a semibatch reactor at three severities. Sulfided Ni-Mo/Al2O3, Pd/C(activated), Pd/char, Pt/char, and Ru/char were compared. Speciation of oxygen functional groups in distillate and bottom products was carried out, and the form of much of the organic oxygen was determined. These results show that a 55% conversion of the carbon in the biomass pyrolysis oil to a low-oxygen (5%), low-acid, volatile, hydrocarbon-miscible liquid product can be achieved. This was, however, possible only with the NiMo-S catalyst. The precious-metal catalysts while producing oil with acceptable carbon conversion, miscibility, and oxygen content did not convert enough acid to produce oil with acid numbers below 15. Water washing was successfully tested for removing residual acids. The various catalysts have different advantages, and using a different catalyst for the two stages of the process may provide the best process-for example ruthenium for minimizing coke during stabilization and nickel or platinum for deoxygenation. C1 [French, Richard J.; Stunkel, James; Black, Stuart; Myers, Michele; Yung, Matthew M.; Iisa, Kristiina] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP French, RJ (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM richard.french@nrel.gov FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory; Department of Energy Office of the Biomass Program [15590] FX The authors gratefully acknowledge the support of the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory and the support of the Department of Energy Office of the Biomass Program under agreement 15590. The authors also gratefully acknowledge Johnson Matthey and Grace Davison for providing the catalysts and Erica Gjersing for the NMR analyses. NR 29 TC 5 Z9 5 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD MAY PY 2014 VL 28 IS 5 BP 3086 EP 3095 DI 10.1021/ef4019349 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AH5VN UT WOS:000336199300025 ER PT J AU Rapp, VH Mack, JH Tschann, P Hable, W Cattolica, RJ Dibble, RW AF Rapp, Vi H. Mack, J. Hunter Tschann, Philipp Hable, Wolfgang Cattolica, Robert J. Dibble, Robert W. TI Research Octane Numbers of Primary and Mixed Alcohols from Biomass-Based Syngas SO ENERGY & FUELS LA English DT Article ID SPARK-IGNITION ENGINE; DIESEL FUEL BLENDS; EXHAUST EMISSIONS; GASOLINE BLENDS; ETHANOL; PERFORMANCE; COMBUSTION; ADDITIVES; BIOFUELS AB Primary alcohols (ethanol, 1-propanol, 1-butanol, and 1-pentanol) derived from biomass offer a sustainable fuel source that can improve efficiency while reducing carbon dioxide (CO2) emissions. However, the performance of these primary alcohols in spark-ignited engines is relatively unknown. In this work, the performance of primary alcohols was experimentally determined using the research octane number (RON) and the blending research octane number (BRON). The primary alcohol mixture, or "AlcoMix," consists of 75% ethanol, 11% 1-propanol, 8% 1-butanol, and 6% 1-pentanol and was approved by the U.S. EPA for use in blending with gasoline. This mixture is the probable outcome of the thermochemical conversion of biomass using Fischer-Tropsch chemistry with synthesis gas. The purpose of this research was to determine whether AlcoMix might be a suitable replacement for ethanol in fuel blending as an antiknock blending component for spark-ignited engines. As an indicative measure of knock resistance, the RONs of AlcoMix and ethanol were estimated using a modified, validated method in a CFR engine. The antiknock properties of AlcoMix as a blending component in gasoline were determined by estimating the BRON. The results show that the measured RON of the individual primary alcohols closely match published values. Additionally, the RON and BRON of the primary alcohol mixture nearly match those of ethanol. These results indicate that the primary alcohol mixture produced by thermochemical processes could be used as a substitute for ethanol as a primary fuel or as an antiknock blending component. C1 [Rapp, Vi H.; Mack, J. Hunter; Dibble, Robert W.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Tschann, Philipp] Graz Univ Technol, Inst Internal Combust Engines & Thermodynam, A-8010 Graz, Austria. [Hable, Wolfgang] Vienna Univ Technol, Inst Internal Combust Engines & Automot Engn, A-1040 Vienna, Austria. [Cattolica, Robert J.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. RP Rapp, VH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM vhrapp@berkeley.edu OI Mack, John Hunter/0000-0002-5455-8611 FU UC Discovery-IUCRP Pilot Project [gcp06-10228] FX This work was part of the UC Discovery-IUCRP Pilot Project titled "An Investigation of a Thermochemical Process for the Production of Mixed Alcohol from Biomass" under Agreement gcp06-10228. NR 41 TC 1 Z9 1 U1 4 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD MAY PY 2014 VL 28 IS 5 BP 3185 EP 3191 DI 10.1021/ef5001453 PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AH5VN UT WOS:000336199300037 ER PT J AU Ogretim, EO Gray, DD Bromhal, GS AF Ogretim, Egemen Ol Gray, Donald D. Bromhal, Grant S. TI Computational Study of Surface Signature of Anthropogenic CO2 at a Potential Carbon Sequestration Site, San Juan Basin SO ENVIRONMENTAL ENGINEERING SCIENCE LA English DT Article DE geologic carbon sequestration; soil gas monitoring; vadose zone ID COALBED METHANE RESERVOIRS; GEOLOGICAL STORAGE; FRUITLAND FORMATION; ABANDONED WELLS; CBM PRODUCTION; GAS MIGRATION; NATURAL-GAS; VADOSE ZONE; LEAKAGE; PERMEABILITY AB Injection of anthropogenic carbon dioxide into geologic formations is a technology that can be deployed in the relatively short term in order to avoid potential harm to the environment caused by excess CO2 in the atmosphere. Success of sequestering CO2 in underground reservoirs is strongly dependent on the prevention of leakage back into the atmosphere and the ability to mitigate should significant leakage occur. Both detection of leakage and reliable risk mitigation plans require a robust monitoring system. The space and time span of CO2 sequestration projects is large, which results in trade-offs between cost and robustness of monitoring. In order to make a cost-effective decision without compromising monitoring effectiveness, knowledge of CO2 transport in the vadose zone and seepage mechanisms into the atmosphere is essential. This study focuses on the simulations of hypothetical CO2 leakage into the approximate to 100m thick vadose zone at an actual site in the San Juan Basin, the United States. Hypothetical leaks were assumed to occur through abandoned wellbores whose integrity had been compromised below the water table. Results show that, at the leak rates analyzed, CO2 did not express itself at the wellhead for extended periods due to the extremely thick vadose zone. It was also seen that even after decades of simulated leakage, point measurements of CO2 flux into the atmosphere may not reach levels distinguishable from the background. The regional seepage pattern, however, is both measurable and distinguishable. This finding can be used for designing cost-effective and robust near-surface monitoring networks and algorithms. C1 [Ogretim, Egemen Ol; Gray, Donald D.; Bromhal, Grant S.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA. [Ogretim, Egemen Ol; Gray, Donald D.] W Virginia Univ, Dept Civil & Environm Engn, Morgantown, WV 26506 USA. RP Ogretim, EO (reprint author), Gediz Univ, Dept Mech Engn, TR-35665 Izmir, Turkey. EM egemen.ogretim@gediz.edu.tr FU RES [DE-FE0004000] FX The authors thank Dustin Crandall from URS Corporation for his contribution to topographic data handling, Tom Wilson for his detailed geologic knowledge of the site, and Hema Siriwardane for the permeability measurements for the topsoil samples. As a part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract DE-FE0004000. NR 54 TC 1 Z9 1 U1 2 U2 10 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1092-8758 EI 1557-9018 J9 ENVIRON ENG SCI JI Environ. Eng. Sci. PD MAY PY 2014 VL 31 IS 5 BP 225 EP 231 DI 10.1089/ees.2013.0386 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AH6UZ UT WOS:000336268600002 ER PT J AU Kinnan, MK Creasy, WR Fullmer, LB Schreuder-Gibson, HL Nyman, M AF Kinnan, Mark K. Creasy, William R. Fullmer, Lauren B. Schreuder-Gibson, Heidi L. Nyman, May TI Nerve Agent Degradation with Polyoxoniobates SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Polyoxometalates; Kinetics; Ion pairs; Small-angle X-ray scattering; Nerve agents ID CHEMICAL WARFARE AGENTS; DIISOPROPYL FLUOROPHOSPHATE; POTENTIOMETRIC DETECTION; BIOLOGICAL PROTECTION; LINDQVIST ION; BY-PRODUCTS; DECONTAMINATION; NANOPARTICLES; HEXANIOBATE; OXIDATION AB Polyoxoniobates are exceptional amongst polyoxometalates in that they can potentially perform base catalysis in water, a process in which a proton is bonded to an oxo ligand, and a hydroxyl is released. Catalytic decomposition of chemical warfare agents such as organofluorophosphates that were used recently in the infamous civilian attacks in Syria is one opportunity to employ this process. Upon evaluation of the polyoxoniobate Lindqvist ion, [Nb6O19](8-), fast neutralization kinetics was discovered for the breakdown of the nerve agent simulant diisopropyl fluorophosphate (DFP). The polyoxoniobates were also tested against the nerve agents Sarin (GB) and Soman (GD). It was determined that different Lindqvist countercations (Li, K, or Cs) affect the rate of decomposition of the organophosphate compounds in both aqueous media (homogeneous reaction), and in the solid state (heterogeneous reaction). Small-angle X-ray scattering analysis of solutions of the Li, K, and Cs salts of [Nb6O19](8-) for concentrations at which the experiments were performed revealed distinct differences that could be linked to their relative reaction rates. This study represents the first demonstration of exploiting the unique alkaline reactivity of polyoxoniobates for nerve agent decontamination. C1 [Kinnan, Mark K.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Creasy, William R.] Leidos Corp, Edgewood Chem Biol Ctr, Aberdeen Proving Ground, MD 21010 USA. [Fullmer, Lauren B.; Nyman, May] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Schreuder-Gibson, Heidi L.] US Army Natick Soldier Res Dev & Engn Ctr, Natick, MA 01760 USA. RP Nyman, M (reprint author), Oregon State Univ, Dept Chem, 153 Gilbert Hall, Corvallis, OR 97331 USA. EM may.nyman@oregonstate.edu FU United States Department of Energy [DE-AC04-94AL85000]; Defense Threat Reduction Agency for live agent testing at the Edgewood Chemical Biological Center (ECBC) by Science Applications International Corporation (SAIC) [DAAD13-03-D-0017, W911SR-11-C-0047] FX L. B. F. and M. N. acknowledge Oregon State University for support on collection and interpretation of SAXS data. M. K. K. acknowledges the Sandia National Laboratories internal funding for support. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. Additional funding was provided by the Defense Threat Reduction Agency for live agent testing at the Edgewood Chemical Biological Center (ECBC) by Science Applications International Corporation (SAIC) under contracts DAAD13-03-D-0017 and W911SR-11-C-0047. This article has been reviewed and approved for public release: SAND-2013-1728 J and PAO U13-083. NR 44 TC 18 Z9 18 U1 4 U2 65 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD MAY PY 2014 VL 2014 IS 14 BP 2361 EP 2367 DI 10.1002/ejic.201400016 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AG7OO UT WOS:000335607700006 ER PT J AU Mukherjee, K Bowman, KS Rainey, FA Siddaramappa, S Challacombe, JF Moe, WM AF Mukherjee, Kalpataru Bowman, Kimberly S. Rainey, Fred A. Siddaramappa, Shivakumara Challacombe, Jean F. Moe, William M. TI Dehalogenimonas lykanthroporepellens BL-DC-9 T simultaneously transcribes many rdhA genes during organohalide respiration with 1,2-DCA, 1,2-DCP, and 1,2,3-TCP as electron acceptors SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE anaerobic; biodegradation; Dehalococcodia; Dehalococcoidiales; Dehalococcoidaceae ID DEHALOCOCCOIDES SP STRAIN; TETRACHLOROETHENE REDUCTIVE DEHALOGENASE; VINYL-CHLORIDE REDUCTASE; GENOME SEQUENCE; FUNCTIONAL-CHARACTERIZATION; ENVIRONMENTAL DISTRIBUTION; ESCHERICHIA-COLI; IDENTIFICATION; ETHENOGENES; EXPRESSION AB The genome sequence of the organohalide-respiring bacterium Dehalogenimonas lykanthroporepellensBL-DC-9(T) contains numerous loci annotated as reductive dehalogenase homologous (rdh) genes based on inferred protein sequence identity with functional dehalogenases of other bacterial species. Many of these genes are truncated, lack adjacent regulatory elements, or lack cognate genes coding for membrane-anchoring proteins typical of the functionally characterized active reductive dehalogenases of organohalide-respiring bacteria. To investigate the expression patterns of the rdh genes in D.lykanthroporepellensBL-DC-9(T), oligonucleotide primers were designed to uniquely target 25 rdh genes present in the genome as well as four putative regulatory genes. RNA extracts from cultures of strain BL-DC-9(T) actively dechlorinating three different electron acceptors, 1,2-dichloroethane, 1,2-dichloropropane, and 1,2,3-trichloropropane were reverse-transcribed and subjected to PCR amplification using rdh-specific primers. Nineteen rdh gene transcripts, including 13 full-length rdhA genes, six truncated rdhA genes, and five rdhA genes having cognate rdhB genes were consistently detected during the dechlorination of all three of the polychlorinated alkanes tested. Transcripts from all four of the putative regulatory genes were also consistently detected. Results reported here expand the diversity of bacteria known to simultaneously transcribe multiple rdh genes and provide insights into the transcription factors associated with rdh gene expression. C1 [Mukherjee, Kalpataru; Bowman, Kimberly S.; Rainey, Fred A.] Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. [Bowman, Kimberly S.; Moe, William M.] Louisiana State Univ, Dept Civil & Environm Engn, Baton Rouge, LA 70803 USA. [Rainey, Fred A.] Univ Alaska Anchorage, Dept Biol Sci, Anchorage, AK USA. [Siddaramappa, Shivakumara; Challacombe, Jean F.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Siddaramappa, Shivakumara] Inst Bioinformat & Appl Biotechnol, Bengaluru, India. RP Moe, WM (reprint author), Louisiana State Univ, Dept Civil & Environm Engn, 3513B Patrick Taylor Hall, Baton Rouge, LA 70803 USA. EM moemwil@lsu.edu RI Moe, William/H-1133-2012 OI Moe, William/0000-0002-9286-8004 FU Governor's Biotechnology Initiative of the Louisiana Board of Regents Grant BOR [015]; NPC Services, Inc. FX This research was funded by the Governor's Biotechnology Initiative of the Louisiana Board of Regents Grant BOR#015 and NPC Services, Inc. NR 37 TC 1 Z9 1 U1 3 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0378-1097 EI 1574-6968 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD MAY PY 2014 VL 354 IS 2 BP 111 EP 118 DI 10.1111/1574-6968.12434 PG 8 WC Microbiology SC Microbiology GA AH2YJ UT WOS:000335987800005 PM 24673292 ER PT J AU Blumer-Schuette, SE Brown, SD Sander, KB Bayer, EA Kataeva, I Zurawski, JV Conway, JM Adams, MWW Kelly, RM AF Blumer-Schuette, Sara E. Brown, Steven D. Sander, Kyle B. Bayer, Edward A. Kataeva, Irina Zurawski, Jeffrey V. Conway, Jonathan M. Adams, Michael W. W. Kelly, Robert M. TI Thermophilic lignocellulose deconstruction SO FEMS MICROBIOLOGY REVIEWS LA English DT Review DE thermophilic microorganisms; cellulosome; lignocellulose deconstruction; carbohydrate-active enzymes; systems biology; bioenergy ID CLOSTRIDIUM-THERMOCELLUM CELLULOSOME; COMPLETE GENOME SEQUENCE; BACTERIUM THERMOTOGA-MARITIMA; CARBOHYDRATE-BINDING MODULE; THERMOSTABLE BETA-GLUCOSIDASE; COHESIN-DOCKERIN INTERACTION; ALPHA-L-ARABINOFURANOSIDASE; ACIDOTHERMUS-CELLULOLYTICUS CEL5A; ACTINOMYCETE THERMOBIFIDA-FUSCA; QUANTITATIVE PROTEOMIC ANALYSIS AB Thermophilic microorganisms are attractive candidates for conversion of lignocellulose to biofuels because they produce robust, effective, carbohydrate-degrading enzymes and survive under harsh bioprocessing conditions that reflect their natural biotopes. However, no naturally occurring thermophile is known that can convert plant biomass into a liquid biofuel at rates, yields and titers that meet current bioprocessing and economic targets. Meeting those targets requires either metabolically engineering solventogenic thermophiles with additional biomass-deconstruction enzymes or engineering plant biomass degraders to produce a liquid biofuel. Thermostable enzymes from microorganisms isolated from diverse environments can serve as genetic reservoirs for both efforts. Because of the sheer number of enzymes that are required to hydrolyze plant biomass to fermentable oligosaccharides, the latter strategy appears to be the preferred route and thus has received the most attention to date. Thermophilic plant biomass degraders fall into one of two categories: cellulosomal (i.e. multienzyme complexes) and noncellulosomal (i.e. free' enzyme systems). Plant-biomass-deconstructing thermophilic bacteria from the genera Clostridium (cellulosomal) and Caldicellulosiruptor (noncellulosomal), which have potential as metabolic engineering platforms for producing biofuels, are compared and contrasted from a systems biology perspective. C1 [Blumer-Schuette, Sara E.; Zurawski, Jeffrey V.; Conway, Jonathan M.; Kelly, Robert M.] N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. [Blumer-Schuette, Sara E.; Brown, Steven D.; Sander, Kyle B.; Kataeva, Irina; Zurawski, Jeffrey V.; Conway, Jonathan M.; Adams, Michael W. W.; Kelly, Robert M.] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN USA. [Brown, Steven D.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Sander, Kyle B.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN USA. [Bayer, Edward A.] Weizmann Inst Sci, Dept Biol Chem, IL-76100 Rehovot, Israel. [Kataeva, Irina; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Kelly, RM (reprint author), N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. EM rmkelly@ncsu.edu RI Brown, Steven/A-6792-2011; OI Brown, Steven/0000-0002-9281-3898; Blumer-Schuette, Sara/0000-0001-9522-4266 FU Office of Biological and Environmental Research in the DOE Office of Science; DOE [DE-AC05-00OR22725] FX 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. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the DOE under Contract DE-AC05-00OR22725. NR 505 TC 36 Z9 36 U1 9 U2 107 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0168-6445 EI 1574-6976 J9 FEMS MICROBIOL REV JI Fems Microbiol. Rev. PD MAY PY 2014 VL 38 IS 3 BP 393 EP 448 DI 10.1111/1574-6976.12044 PG 56 WC Microbiology SC Microbiology GA AG6YN UT WOS:000335565100003 PM 24118059 ER PT J AU Brown, TN O'Donovan, M Hasselquist, L Corner, BD Schiffman, JM AF Brown, T. N. O'Donovan, M. Hasselquist, L. Corner, B. D. Schiffman, J. M. TI Body borne loads impact walk-to-run and running biomechanics SO GAIT & POSTURE LA English DT Article DE Locomotion; Load carriage; Lower limb biomechanics; Mechanical work ID JOINT COORDINATE SYSTEM; TRANSITION SPEED; KINEMATICS; FORCES; ACCELERATION; PARAMETERS; ENERGETICS; MOVEMENTS; CARRIAGE; ENERGY AB The purpose of this study was to perform a biomechanics-based assessment of body borne load during the walk-to-run transition and steady-state running because historical research has limited load carriage assessment to prolonged walking. Fifteen male military personnel had trunk and lower limb biomechanics examined during these locomotor tasks with three different load configurations (light, similar to 6 kg, medium, similar to 20 kg, and heavy, similar to 40 kg). Subject-based means of the dependent variables were submitted to repeated measures ANOVA to test the effects of load configuration. During the walk-to-run transition, the hip decreased (P = 0.001) and knee increased (P = 0.004) their contribution to joint power with the addition of load. Additionally, greater peak trunk (P = 0.001), hip (P = 0.001), and knee flexion (P < 0.001) moments and trunk flexion (P < 0.001) angle, and reduced hip (P = 0.001) and knee flexion (P = 0.001) posture were evident during the loaded walk-to-run transition. Body borne load had no significant effect (P > 0.05) on distribution of lower limb joint power during steady-state running, but increased peak trunk (P < 0.001), hip (P = 0.001), and knee (P = 0.001) flexion moments, and trunk flexion (P < 0.001) posture were evident. During the walk-to-run transition the load carrier may move joint power production distally down the kinetic chain and adopt biomechanical profiles to maintain performance of the task. The load carrier, however, may not adopt lower limb kinematic adaptations necessary to shift joint power distribution during steady-state running, despite exhibiting potentially detrimental larger lower limb joint loads. As such, further study appears needed to determine how load carriage impairs maximal locomotor performance. Published by Elsevier B.V C1 [Brown, T. N.] ORISE, Belcamp, MD USA. [Brown, T. N.; O'Donovan, M.; Hasselquist, L.; Corner, B. D.; Schiffman, J. M.] US Army Natick Soldier Res Dev & Engn Ctr, Dept Army, Natick, MA 01760 USA. RP Brown, TN (reprint author), US Army Natick Soldier Res Dev & Engn Ctr, Dept Army, 15 Kansas St, Natick, MA 01760 USA. EM tyler.n.brown4.ctr@mail.mil NR 30 TC 8 Z9 8 U1 0 U2 21 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0966-6362 EI 1879-2219 J9 GAIT POSTURE JI Gait Posture PD MAY PY 2014 VL 40 IS 1 BP 237 EP 242 DI 10.1016/j.gaitpost.2014.04.001 PG 6 WC Neurosciences; Orthopedics; Sport Sciences SC Neurosciences & Neurology; Orthopedics; Sport Sciences GA AH8KS UT WOS:000336387300042 PM 24794647 ER PT J AU Kwicklis, EM AF Kwicklis, E. M. TI Review of 'Too Hot To Touch: The Problem of High- Level Nuclear Waste' by William M. Alley and Rosemarie Alley SO GEOFLUIDS LA English DT Editorial Material C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA. RP Kwicklis, EM (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1468-8115 EI 1468-8123 J9 GEOFLUIDS JI Geofluids PD MAY PY 2014 VL 14 IS 2 BP 127 EP 127 DI 10.1111/gfl.12068 PG 1 WC Geochemistry & Geophysics; Geology SC Geochemistry & Geophysics; Geology GA AG4NU UT WOS:000335397800001 ER PT J AU Lloyd, ID Oppenheimer, M AF Lloyd, Ian D. Oppenheimer, Michael TI On the Design of an International Governance Framework for Geoengineering SO GLOBAL ENVIRONMENTAL POLITICS LA English DT Article ID SOLAR-RADIATION MANAGEMENT; CLIMATE; POLITICS; COOPERATION; SCIENCE; REGIME; POWER AB This paper explores the governance options surrounding geoengineering-the deliberate, large-scale manipulation of the Earth's climate system to counteract climate change. The authors focus solely on methods that affect the incoming solar radiation to the atmosphere, referred to as solar radiation management (SRM). They examine whether an international governance framework for SRM is needed, how it should be designed, and whether it is feasible. The authors propose a governance regime that initially has small membership and weak legalization, and is flexible in that future institutional reforms allow for broader membership and deeper commitments. The article provides supporting evidence for key aspects of the regime through past international treaties in arms control and environmental protection, including the Antarctica, Outer Space, and Montreal Protocol treaty regimes. For these cases, acting early and treating the respective problems as part of the "regulation of unexplored territory" produced more effective outcomes than the "national appropriation" approach that characterizes arms control. C1 [Lloyd, Ian D.] US DOE, Oak Ridge Inst Sci & Educ, Off Int Climate Change Policy & Technol, Washington, DC 20585 USA. [Lloyd, Ian D.] Woodrow Wilson Sch Publ & Int Affairs, Sci Technol & Environm Policy Program, Princeton, NJ USA. [Lloyd, Ian D.; Oppenheimer, Michael] Environm Def Fund, New York, NY USA. [Oppenheimer, Michael] Woodrow Wilson Sch, Program Sci Technol & Environm Policy, Princeton, NJ USA. [Oppenheimer, Michael] Princeton Environm Inst, Atmospher & Ocean Sci Program, Princeton, NJ USA. [Oppenheimer, Michael] Princeton Inst Int & Reg Studies, Princeton, NJ USA. [Oppenheimer, Michael] Environm Def Fund, Climate & Air Program, New York, NY USA. RP Lloyd, ID (reprint author), US DOE, Oak Ridge Inst Sci & Educ, Off Int Climate Change Policy & Technol, Washington, DC 20585 USA. NR 37 TC 7 Z9 7 U1 5 U2 17 PU MIT PRESS PI CAMBRIDGE PA ONE ROGERS ST, CAMBRIDGE, MA 02142-1209 USA SN 1526-3800 EI 1536-0091 J9 GLOBAL ENVIRON POLIT JI Glob. Environ. Polit. PD MAY PY 2014 VL 14 IS 2 BP 45 EP + DI 10.1162/GLEP_a_00228 PG 20 WC Environmental Studies; Political Science SC Environmental Sciences & Ecology; Government & Law GA AH4ES UT WOS:000336080200004 ER PT J AU Liao, SL Gopalsami, N Bakhtiari, S Elmer, TW Koehl, ER Raptis, AC AF Liao, Shaolin Gopalsami, Nachappa Bakhtiari, Sasan Elmer, Thomas W., II Koehl, Eugene R. Raptis, A. C. TI A Novel Interferometric Sub-THz Doppler Radar With a Continuously Oscillating Reference Arm SO IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY LA English DT Article DE Continuous wave (CW); Doppler; interferometry; radar; sub-THz ID HEARTBEAT DETECTION AB In this paper, we have built and tested a mixerless sub-terahertz (sub-THz) Doppler radar consisting of just a continuous wave (CW) source and a Schottky diode intensity detector based on optical interferometry technique. The reference arm features an oscillating mirror to modulate the low-frequency-band (LFB) Doppler signature to the high-frequency-band (HFB) centered at the reference arm frequency. The reference arm frequency needs to oscillate at a frequency that is higher than twice the Doppler frequency of the object to avoid overlapping of the LFB and HFB signals. Rigorous mathematical formulas have been derived to solve for both the amplitude and the unambiguous phase of the Doppler signal, by using both LFB and HFB signals. The unwrapped phase can be obtained in two ways: a simply phase unwrapping process and a universal fitting process. The Doppler frequency signature of a moving object can be obtained from the Fourier transform of the phase. Computer simulation was first used to show the validity of the derived mathematical formulas. Then a prototype at 0.15 THz was built and tested using a ball pendulum as target. Experimental scenarios for phase span of less than and greater than were studied. The measured amplitude and phase have been shown to agree well with the set up experimental parameters. C1 [Liao, Shaolin; Gopalsami, Nachappa; Bakhtiari, Sasan; Elmer, Thomas W., II; Koehl, Eugene R.; Raptis, A. C.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Liao, SL (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sliao@anl.gov FU Office of Nonproliferation and Verification Research and Development under the National Nuclear Security Administration (NNSA) of Department of Energy [DE-AC02-06CH11357] FX This work is supported by the Office of Nonproliferation and Verification Research and Development under the National Nuclear Security Administration (NNSA) of Department of Energy under Contract DE-AC02-06CH11357. NR 20 TC 0 Z9 0 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-342X J9 IEEE T THZ SCI TECHN JI IEEE Trans. Terahertz Sci. Technol. PD MAY PY 2014 VL 4 IS 3 BP 307 EP 313 DI 10.1109/TTHZ.2014.2307165 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA AH6EH UT WOS:000336223000004 ER PT J AU Yang, BB Kirley, MP Booske, JH AF Yang, Benjamin B. Kirley, M. P. Booske, John H. TI Theoretical and Empirical Evaluation of Surface Roughness Effects on Conductivity in the Terahertz Regime SO IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY LA English DT Article DE Conductivity; electromagnetic (EM) material characterization; resonators; surface roughness; terahertz (THz) ID ATTENUATION; TECHNOLOGY; METALS AB While models for conductivity in the terahertz regime are improving, there is limited data on the effects of submicrometer roughness features on conductivity. We present direct measurements of the effective conductivity of samples with periodic controlled roughness features using an open quasi-optical resonator at 400 and 650 GHz. The empirical results are compared with two closed-form models and a finite-element simulation. We find that the Mie-scattering-based model and finite-element approach are more accurate for samples that are smooth relative to the skin depth. For surface features greater than the skin depth, we found the Hammerstad and Bekkadal model to be a better predictor of effective conductivity. The observed discrepancies identify the need for further advances in theoretical understanding of the underlying physics. The empirical results of this study can be used to benchmark new and improved models of effective conductivity in the terahertz regime. C1 [Yang, Benjamin B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kirley, M. P.; Booske, John H.] Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. RP Yang, BB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM benbyang@gmail.com FU Air Force Office of Scientific Research [FA9550-08-1-0052]; Duane H. and Dorothy M. Bluemke Foundation; Northrup Grumann; National Science Foundation FX This work was supported in part by the Air Force Office of Scientific Researcunder Grant FA9550-08-1-0052, the Duane H. and Dorothy M. Bluemke Foundation, and Northrup Grumann. It was performed in part at the Lurie Nanofabrication Facility, a member of the National Nanotechnology Infrastructure Network, which is supported by the National Science Foundation. NR 23 TC 6 Z9 6 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-342X J9 IEEE T THZ SCI TECHN JI IEEE Trans. Terahertz Sci. Technol. PD MAY PY 2014 VL 4 IS 3 BP 368 EP 375 DI 10.1109/TTHZ.2014.2310121 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA AH6EH UT WOS:000336223000011 ER PT J AU Chowdhury, DR Azad, AK Zhang, WL Singh, R AF Chowdhury, Dibakar Roy Azad, Abul K. Zhang, Weili Singh, Ranjan TI Near Field Coupling in Passive and Active Terahertz Metamaterial Devices (vol 3, pg 783, 2013) SO IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY LA English DT Correction C1 [Chowdhury, Dibakar Roy] Australian Natl Univ, Coll Engn & Comp Sci, Ctr Sustainable Energy Syst, Canberra, ACT 0200, Australia. [Azad, Abul K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Zhang, Weili] Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. [Singh, Ranjan] Nanyang Technol Univ, Ctr Disrupt Photon Technol, Singapore 639798, Singapore. RP Chowdhury, DR (reprint author), Australian Natl Univ, Coll Engn & Comp Sci, Ctr Sustainable Energy Syst, GPO Box 4, Canberra, ACT 0200, Australia. EM dibakarrc@gmail.com; ranjans@ntu.edu.sg RI Zhang, Weili/C-5416-2011 OI Zhang, Weili/0000-0002-8591-0200 NR 1 TC 0 Z9 0 U1 1 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-342X J9 IEEE T THZ SCI TECHN JI IEEE Trans. Terahertz Sci. Technol. PD MAY PY 2014 VL 4 IS 3 BP 400 EP 400 PG 1 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA AH6EH UT WOS:000336223000015 ER PT J AU Zappala, D Tavner, PJ Crabtree, CJ Sheng, SW AF Zappala, Donatella Tavner, Peter J. Crabtree, Christopher J. Sheng, Shuangwen TI Side-band algorithm for automatic wind turbine gearbox fault detection and diagnosis SO IET RENEWABLE POWER GENERATION LA English DT Article AB Improving the availability of wind turbines is critical for minimising the cost of wind energy, especially offshore. The development of reliable and cost-effective gearbox condition monitoring systems (CMSs) is of concern to the wind industry, because the gearbox downtime has a significant effect on the wind turbine availabilities. Timely detection and diagnosis of developing gear defects is essential for minimising an unplanned downtime. One of the main limitations of most current CMSs is the time consuming and costly manual handling of large amounts of monitoring data, therefore automated algorithms would be welcome. This study presents a fault detection algorithm for incorporation into a commercial CMS for automatic gear fault detection and diagnosis. Based on the experimental evidence from the Durham Condition Monitoring Test Rig, a gear condition indicator was proposed to evaluate the gear damage during non-stationary load and speed operating conditions. The performance of the proposed technique was then successfully tested on signals from a full-size wind turbine gearbox that had sustained gear damage, and had been studied in a National Renewable Energy Laboratory's (NREL) programme. The results show that the proposed technique proves efficient and reliable for detecting gear damage. Once implemented into the wind turbine CMSs, this algorithm can automate the data interpretation, thus reducing the quantity of the information that the wind turbine operators must handle. C1 [Zappala, Donatella; Tavner, Peter J.; Crabtree, Christopher J.] Univ Durham, Sch Engn & Comp Sci, Durham DH1 3LE, England. [Sheng, Shuangwen] NREL, Natl Wind Technol Ctr, Golden, CO 80401 USA. RP Zappala, D (reprint author), Univ Durham, Sch Engn & Comp Sci, Durham DH1 3LE, England. EM donatella.zappala@durham.ac.uk RI Zappala', Donatella/F-4836-2017 OI Zappala', Donatella/0000-0002-8283-5102 FU UK EPSRC Supergen Wind Energy Technologies programme [EP/H018662/1] FX This work was funded as part of the UK EPSRC Supergen Wind Energy Technologies programme, EP/H018662/1. The authors thank NREL for its support for this work and for providing the vibration data used for the validation of the SBPF algorithm. NR 13 TC 12 Z9 12 U1 1 U2 45 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1752-1416 EI 1752-1424 J9 IET RENEW POWER GEN JI IET Renew. Power Gener. PD MAY PY 2014 VL 8 IS 4 BP 380 EP 389 DI 10.1049/iet-rpg.2013.0177 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AG6YS UT WOS:000335565600005 ER PT J AU Altpeter, F Jung, JH Karan, R Zale, J Kim, JY Wu, H Dermawan, H Pathak, B Gretencord, R Lui, H Candreva, J Shanklin, J AF Altpeter, Fredy Jung, Je Hyeong Karan, Ratna Zale, Janice Kim, Jae Yoon Wu, Hao Dermawan, Hugo Pathak, Bhuvan Gretencord, Raechelle Lui, Hui Candreva, Jason Shanklin, John TI Genetic Improvement of the Biofuel Feedstock Sugarcane with Intragenic, Targeted Mutagenesis and Transgenic Biotechnologies SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Altpeter, Fredy; Jung, Je Hyeong; Karan, Ratna; Zale, Janice; Kim, Jae Yoon; Wu, Hao; Dermawan, Hugo; Pathak, Bhuvan; Gretencord, Raechelle] Univ Florida, Gainesville, FL USA. [Lui, Hui; Candreva, Jason; Shanklin, John] Brookhaven Natl Lab, Upton, NY 11973 USA. EM faltpeter@ufl.edu NR 0 TC 1 Z9 1 U1 1 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2014 VL 50 SU 1 BP S19 EP S19 PG 1 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA AH8KN UT WOS:000336386800051 ER PT J AU Lin, J Mazarei, M Zhao, N Rudis, M Pantalone, V Arelli, P Chen, F Stewart, CN AF Lin, J. Mazarei, M. Zhao, N. Rudis, M. Pantalone, V. Arelli, P. Chen, F. Stewart, C. N. TI Overexpression of a Soybean Salicylic Acid Methyltransferase Gene Confers Resistance to Soybean Cyst Nematode. SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Lin, J.; Mazarei, M.; Rudis, M.; Pantalone, V.; Chen, F.; Stewart, C. N.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Zhao, N.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Arelli, P.] ARS, USDA, MSA, Jackson, TN USA. EM jlin11@utk.edu NR 0 TC 0 Z9 0 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2014 VL 50 SU 1 BP S34 EP S35 PG 2 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA AH8KN UT WOS:000336386800087 ER PT J AU Powell, W Newhouse, A Baier, K McGuigan, L Oakes, A Stewart, K Tschaplinski, T Maynard, C AF Powell, William Newhouse, Andy Baier, Kathleen McGuigan, Linda Oakes, Allison Stewart, Kristen Tschaplinski, Timothy Maynard, Charles TI Can Genetic Engineering Help Save the American Chestnut? SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Powell, William; Newhouse, Andy; Baier, Kathleen; McGuigan, Linda; Oakes, Allison; Stewart, Kristen; Maynard, Charles] SUNY Coll Environm Sci & Forestry, Syracuse, NY 13210 USA. [Tschaplinski, Timothy] Oak Ridge Natl Lab, Oak Ridge, TN USA. EM wapowell@esf.edu NR 0 TC 0 Z9 0 U1 3 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2014 VL 50 SU 1 BP S23 EP S24 PG 2 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA AH8KN UT WOS:000336386800063 ER PT J AU Thomashow, MF AF Thomashow, Michael F. TI Regulatory Pathways that Control Plant Freezing Tolerance SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Thomashow, Michael F.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM thomash6@msu.edu NR 0 TC 0 Z9 0 U1 4 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2014 VL 50 SU 1 BP S13 EP S13 PG 1 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA AH8KN UT WOS:000336386800032 ER PT J AU Wang, K Martin-Ortigosa, S Peterson, DJ Valenstein, JS Trewyn, BG Lyznik, LA AF Wang, Kan Martin-Ortigosa, Susana Peterson, David J. Valenstein, Justin S. Trewyn, Brian G. Lyznik, L. Alexander TI Nanoparticle-mediated Recombinase Delivery in Maize SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Wang, Kan; Martin-Ortigosa, Susana] Iowa State Univ, Ctr Plant Transformat, Inst Plant Sci, Ames, IA 50011 USA. [Wang, Kan; Martin-Ortigosa, Susana] Iowa State Univ, Dept Agron, Ames, IA 50011 USA. [Peterson, David J.; Lyznik, L. Alexander] DuPont Pioneer, Johnston, IA 50131 USA. [Valenstein, Justin S.; Trewyn, Brian G.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Valenstein, Justin S.; Trewyn, Brian G.] US DOE, Ames Lab, Ames, IA 50011 USA. EM kanwang@iastate.edu NR 0 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2014 VL 50 SU 1 BP S21 EP S22 PG 2 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA AH8KN UT WOS:000336386800058 ER PT J AU Dai, S Hsieh, LH AF Dai, Steve Hsieh, Lung-Hwa TI Temperature-Compensated Bandpass Filters in Low Temperature Co-Fired Ceramic SO INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY LA English DT Article ID DIELECTRIC RESONATORS; COEFFICIENT; FREQUENCY; LINES AB For low temperature co-fired ceramic (LTCC) modules targeting radio frequency applications, a near 0ppm/degrees C temperature coefficient of resonant frequency ((f)) ensures temperature stability of embedded filters. The base dielectrics of most commercial LTCC systems have a (f) in the range -50 to -80ppm/degrees C. By integrating co-fireable compensating dielectrics with an opposite (f) to that of the host dielectric, we demonstrated multilayer stripline (SL) bandpass filters with a (f) approaching 0ppm/degrees C using DuPont 951 LTCC. The effective dielectric constant of the SL in multilayer LTCC with dissimilar layered dielectrics was calculated using a variational method with transmission-line technique. C1 [Dai, Steve; Hsieh, Lung-Hwa] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dai, S (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM sxdai@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Adrian Wagner for help in filter fabrication. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 20 TC 0 Z9 0 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1546-542X EI 1744-7402 J9 INT J APPL CERAM TEC JI Int. J. Appl. Ceram. Technol. PD MAY PY 2014 VL 11 IS 3 SI SI BP 475 EP 479 DI 10.1111/ijac.12196 PG 5 WC Materials Science, Ceramics SC Materials Science GA AG7AP UT WOS:000335570700009 ER PT J AU Vilarrasa, V Olivella, S Carrera, J Rutqvist, J AF Vilarrasa, Victor Olivella, Sebastia Carrera, Jesus Rutqvist, Jonny TI Long term impacts of cold CO2 injection on the caprock integrity SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Geologic carbon storage; Thermo-hydro-mechanical coupling; Energy efficiency; Caprock stability; Induced microseismicity ID DEEP SALINE AQUIFERS; GEOLOGICAL SEQUESTRATION; GEOTHERMAL-RESERVOIRS; CARBON SEQUESTRATION; INDUCED SEISMICITY; UTSIRA FORMATION; MULTIPHASE FLOW; FLUID-FLOW; STORAGE; SIMULATION AB Carbon dioxide (CO2) will reach the storage formation at a temperature lower than that of the reservoir, especially for high flow rates. Thus, thermo-mechanical effects might jeopardize the caprock mechanical stability and cause induced seismicity. We perform thermo-hydro-mechanical simulations of cold (liquid) CO2 injection and analyze the impacts on the rock mechanical stability during a 30 year injection period. Injection of cold CO2 develops a cold region around the injection well that induces a thermal stress reduction in the reservoir due to its contraction. Stress redistribution, which occurs to satisfy stress equilibrium and displacement compatibility, causes the horizontal total stress to increase in the lower portion of the caprock. The thermal stress reduction in the reservoir decreases its stability when injecting a constant mass flow rate through a vertical well in normal faulting stress regimes. Such decrease in stability, if sufficiently large, might cause induced seismicity as well as enhancing reservoir permeability and injectivity. However, the caprock tightens due to the increase in horizontal total stress, improving its stability. After a significant improvement in caprock stability during the first years of injection, stability decreases gradually for longer injection times, but the stress state remains more stable than prior to injection, even for stiff caprocks. By contrast, in a reverse faulting stress regime, both the reservoir and the caprock are less stable during the first years of injection, but stability improves subsequently. On the other hand, injecting cold CO2 at a constant mass flow rate through a horizontal well does not significantly affect the caprock stability for the scenarios considered in this study (in both normal and reverse faulting stress regimes). We show that accounting for the thermal expansion of the grains is very important in low porosity formations to avoid simulating artificial porosity and total stress reductions in the cooled region of the caprock that yield unreal high mobilized friction angles in the lower part of the caprock in normal faulting stress regimes. Overall, injecting cold CO2 should not be feared because of the thermal stresses reduction, though care should be taken to avoid excessive induced seismicity. Published by Elsevier Ltd. C1 [Vilarrasa, Victor; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Olivella, Sebastia] Tech Univ Catalonia UPC BarcelonaTech, Dept Geotech Engn & Geosci, Barcelona 08034, Spain. [Carrera, Jesus] CSIC, Inst Environm Assessment & Water Res IDAEA, GHS, ES-08034 Barcelona, Spain. RP Vilarrasa, V (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM vvilarrasa@lbl.gov RI Rutqvist, Jonny/F-4957-2015; Vilarrasa, Victor/A-1700-2016; OI Rutqvist, Jonny/0000-0002-7949-9785; Vilarrasa, Victor/0000-0003-1169-4469; Olivella, Sebastia/0000-0003-3976-4027 FU Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the U.S. Department of Energy [DE-AC02-05CH11231]; 'TRUST' project from the European Community's Seventh Framework Programme FP7 [309607]; 'PANACEA' project from the European Community's Seventh Framework Programme FP7 [282900] FX We would like to acknowledge the financial support received from the 'TRUST' (trust-co2.org) and 'PANACEA' (www.panaceaco2.org) projects (from the European Community's Seventh Framework Programme FP7/2007-2013 under grant agreements no 309607 and no 282900, respectively) and the support by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the U.S. Department of Energy Contract No. DE-AC02-05CH11231. NR 56 TC 22 Z9 24 U1 3 U2 42 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 MAY PY 2014 VL 24 BP 1 EP 13 DI 10.1016/j.ijggc.2014.02.016 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AH7VD UT WOS:000336342500001 ER PT J AU Rutqvist, J Cappa, F Rinaldi, AP Godano, M AF Rutqvist, Jonny Cappa, Frederic Rinaldi, Antonio P. Godano, Maxime TI Modeling of induced seismicity and ground vibrations associated with geologic CO2 storage, and assessing their effects on surface structures and human perception SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE CO2 injection; Fault rupture; Induced seismicity; Ground acceleration ID SOURCE PARAMETERS; FLUID-FLOW; INDUCED EARTHQUAKES; MOTION PARAMETERS; INJECTION; STRESS; SEQUESTRATION; MAGNITUDE; FAULT; MICROSEISMICITY AB In this paper, we present model simulations of ground motions caused by CO2-injection-induced fault reactivation and analyze the results in terms of the potential for damage to ground surface structures and nuisance to the local human population. It is an integrated analysis from cause to consequence, including the whole chain of processes starting from earthquake inception in the subsurface, wave propagation toward the ground surface, and assessment of the consequences of ground vibration. For a small magnitude (M-w = 3) event at a hypocenter depth of about 1000 m, we first used the simulated ground-motion wave train in an inverse analysis to estimate source parameters (moment magnitude, rupture dimensions and stress drop), achieving good agreement and thereby verifying the modeling of the chain of processes from earthquake inception to ground vibration. We then analyzed the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV) and frequency content, with comparison to U.S. Geological Survey's instrumental intensity scales for earthquakes and the U.S. Bureau of Mines' vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. Our results confirm the appropriateness of using PGV (rather than PGA) and frequency for the evaluation of potential ground-vibration effects on structures and humans from shallow injection-induced seismic events. For the considered synthetic M-w = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, but would certainly be felt by the local population. Published by Elsevier Ltd. C1 [Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.] Univ Calif Berkeley, Div Earth Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Cappa, Frederic; Godano, Maxime] Univ Nice Sophia Antipolis, Geoazur, Observ Cote Azur, Sophia Antipolis, France. RP Rutqvist, J (reprint author), One Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM jrutqvist@lbl.gov RI Rinaldi, Antonio Pio/N-3284-2013; Rutqvist, Jonny/F-4957-2015; Cappa, Frederic/B-4014-2017 OI Rinaldi, Antonio Pio/0000-0001-7052-8618; Rutqvist, Jonny/0000-0002-7949-9785; Cappa, Frederic/0000-0003-4859-8024 FU Office of Natural Gas and Petroleum Technology, through National Energy Technology Laboratory, under the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the U.S. Department of Energy Contract No. DE-AC02-05CH11231. NR 59 TC 5 Z9 10 U1 1 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 MAY PY 2014 VL 24 BP 64 EP 77 DI 10.1016/j.ijggc.2014.02.017 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AH7VD UT WOS:000336342500006 ER PT J AU Snir, M Wisniewski, RW Abraham, JA Adve, SV Bagchi, S Balaji, P Belak, J Bose, P Cappello, F Carlson, B Chien, AA Coteus, P DeBardeleben, NA Diniz, PC Engelmann, C Erez, M Fazzari, S Geist, A Gupta, R Johnson, F Krishnamoorthy, S Leyffer, S Liberty, D Mitra, S Munson, T Schreiber, R Stearley, J Van Hensbergen, E AF Snir, Marc Wisniewski, Robert W. Abraham, Jacob A. Adve, Sarita V. Bagchi, Saurabh Balaji, Pavan Belak, Jim Bose, Pradip Cappello, Franck Carlson, Bill Chien, Andrew A. Coteus, Paul DeBardeleben, Nathan A. Diniz, Pedro C. Engelmann, Christian Erez, Mattan Fazzari, Saverio Geist, Al Gupta, Rinku Johnson, Fred Krishnamoorthy, Sriram Leyffer, Sven Liberty, Dean Mitra, Subhasish Munson, Todd Schreiber, Rob Stearley, Jon Van Hensbergen, Eric TI Addressing failures in exascale computing SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Resilience; fault-tolerance; exascale; extreme-scale computing; high-performance computing ID OPTIMUM CHECKPOINT INTERVAL; ERROR-CODED OPERANDS; FAULT-TOLERANT MPI; ARITHMETIC ALGORITHMS; LARGE-SCALE; SOFTWARE; SYSTEMS; DESIGN; RELIABILITY; INVARIANTS AB We present here a report produced by a workshop on Addressing failures in exascale computing' held in Park City, Utah, 4-11 August 2012. The charter of this workshop was to establish a common taxonomy about resilience across all the levels in a computing system, discuss existing knowledge on resilience across the various hardware and software layers of an exascale system, and build on those results, examining potential solutions from both a hardware and software perspective and focusing on a combined approach. The workshop brought together participants with expertise in applications, system software, and hardware; they came from industry, government, and academia, and their interests ranged from theory to implementation. The combination allowed broad and comprehensive discussions and led to this document, which summarizes and builds on those discussions. C1 [Snir, Marc; Balaji, Pavan; Cappello, Franck; Gupta, Rinku] Argonne Natl Lab, Argonne, IL 60439 USA. [Leyffer, Sven; Munson, Todd] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Wisniewski, Robert W.] Intel Corp, Extreme Scale Comp, Santa Clara, CA 95051 USA. [Abraham, Jacob A.; Erez, Mattan] Univ Texas Austin, Dept Elect & Comp Engn, Austin, TX 78712 USA. [Adve, Sarita V.] Univ Illinois, Urbana, IL 61801 USA. [Bagchi, Saurabh] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. [Bagchi, Saurabh] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA. [Belak, Jim] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA USA. [Bose, Pradip] IBM Corp, TJ Watson Res Ctr, Dept Power Efficient, Resilient Syst, Armonk, NY 10504 USA. [Coteus, Paul] IBM Corp, TJ Watson Res Ctr, Dept Syst, Armonk, NY 10504 USA. [Carlson, Bill] IDA Ctr Comp Sci, Baltimore, MD USA. [Chien, Andrew A.] Univ Chicago, Chicago, IL 60637 USA. [DeBardeleben, Nathan A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Diniz, Pedro C.] Univ So Calif, Informat Sci Inst, Marina Del Rey, CA USA. [Engelmann, Christian] Oak Ridge Natl Lab, Comp Sci & Math Div, Syst Software Team, Oak Ridge, TN USA. [Geist, Al] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Fazzari, Saverio] Booz Allen Hamilton, Mclean, VA USA. [Johnson, Fred] SAIC, DOE NNSA Adv Simulat & Comp Org, Mclean, VA USA. [Krishnamoorthy, Sriram] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liberty, Dean] Adv Micro Devices Inc, Boxboro, MA USA. [Mitra, Subhasish] Stanford Univ, Dept Elect Engn, Robust Syst Grp, Stanford, CA 94305 USA. [Mitra, Subhasish] Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. [Schreiber, Rob] Hewlett Packard Corp, Palo Alto, CA USA. [Stearley, Jon] Sandia Natl Labs, Albuquerque, NM USA. [Van Hensbergen, Eric] ARM Inc, Austin, TX USA. RP Snir, M (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM snir@anl.gov RI Diniz, Pedro/F-2470-2013 FU U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research (contract DE-AC02-06CH11357). NR 167 TC 18 Z9 18 U1 1 U2 12 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 MAY PY 2014 VL 28 IS 2 SI SI BP 129 EP 173 DI 10.1177/1094342014522573 PG 45 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA AH6EE UT WOS:000336222700001 ER PT J AU Haidar, A Tomov, S Dongarra, J Solca, R Schulthess, T AF Haidar, Azzam Tomov, Stanimire Dongarra, Jack Solca, Raffaele Schulthess, Thomas TI A novel hybrid CPU-GPU generalized eigensolver for electronic structure calculations based on fine-grained memory aware tasks SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Eigensolver; generalized eigensolver; two-stage; multicore; GPU; hybrid; electronic structure calculations; high performance ID SYMMETRIC EIGENVALUE PROBLEMS; CONDENSED FORMS; REDUCTION; HESSENBERG; ARCHITECTURES; COMPUTATIONS; ALGORITHMS; MATRICES AB The adoption of hybrid CPU-GPU nodes in traditional supercomputing platforms such as the Cray-XK6 opens acceleration opportunities for electronic structure calculations in materials science and chemistry applications, where medium-sized generalized eigenvalue problems must be solved many times. These eigenvalue problems are too small to effectively solve on distributed systems, but can benefit from the massive computing power concentrated on a single-node, hybrid CPU-GPU system. However, hybrid systems call for the development of new algorithms that efficiently exploit heterogeneity and massive parallelism of not just GPUs, but of multicore/manycore CPUs as well. Addressing these demands, we developed a generalized eigensolver featuring novel algorithms of increased computational intensity (compared with the standard algorithms), decomposition of the computation into fine-grained memory aware tasks, and their hybrid execution. The resulting eigensolvers are state-of-the-art in high-performance computing, significantly outperforming existing libraries. We describe the algorithm and analyze its performance impact on applications of interest when different fractions of eigenvectors are needed by the host electronic structure code. C1 [Haidar, Azzam; Tomov, Stanimire; Dongarra, Jack] Univ Tennessee, ICL, Knoxville, TN 37996 USA. [Tomov, Stanimire] Univ Tennessee, EECS, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Dongarra, Jack] Univ Manchester, Sch Math, Manchester, Lancs, England. [Dongarra, Jack] Univ Manchester, Sch Comp Sci, Manchester, Lancs, England. [Solca, Raffaele; Schulthess, Thomas] Swiss Fed Inst Technol, Inst Theoret Phys, Zurich, Switzerland. [Schulthess, Thomas] Swiss Natl Supercomp Ctr, Lugano, Switzerland. RP Tomov, S (reprint author), Univ Tennessee, 1122 Volunteer Blvd, Knoxville, TN 37996 USA. EM tomov@eecs.utk.edu FU National Science Foundation; Department of Energy; NVIDIA; MathWorks FX This work was supported by the National Science Foundation, the Department of Energy, NVIDIA, and MathWorks. NR 28 TC 4 Z9 4 U1 0 U2 8 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 MAY PY 2014 VL 28 IS 2 SI SI BP 196 EP 209 DI 10.1177/1094342013502097 PG 14 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA AH6EE UT WOS:000336222700004 ER PT J AU Dubey, A Antypas, K Calder, AC Daley, C Fryxell, B Gallagher, JB Lamb, DQ Lee, D Olson, K Reid, LB Rich, P Ricker, PM Riley, KM Rosner, R Siegel, A Taylor, NT Weide, K Timmes, FX Vladimirova, N ZuHone, J AF Dubey, Anshu Antypas, Katie Calder, Alan C. Daley, Chris Fryxell, Bruce Gallagher, J. Brad Lamb, Donald Q. Lee, Dongwook Olson, Kevin Reid, Lynn B. Rich, Paul Ricker, Paul M. Riley, Katherine M. Rosner, Robert Siegel, Andrew Taylor, Noel T. Weide, Klaus Timmes, Francis X. Vladimirova, Natasha ZuHone, John TI Evolution of FLASH, a multi-physics scientific simulation code for high-performance computing SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE FLASH; scientific application code; multi-physics; multi-scale; community code; software evolution ID STAGGERED MESH SCHEME; RAYLEIGH-TAYLOR; MAGNETOHYDRODYNAMICS; HYDRODYNAMICS; ASTROPHYSICS; DIMENSIONS; PLUTO; FLOWS AB The FLASH code has evolved into a modular and extensible scientific simulation software system over the decade of its existence. During this time it has been cumulatively used by over a thousand researchers to investigate problems in astrophysics, cosmology, and in some areas of basic physics, such as turbulence. Recently, many new capabilities have been added to the code to enable it to simulate problems in high-energy density physics. Enhancements to these capabilities continue, along with enhancements enabling simulations of problems in fluid-structure interactions. The code started its life as an amalgamation of already existing software packages and sections of codes developed independently by various participating members of the team for other purposes. The code has evolved through a mixture of incremental and deep infrastructural changes. In the process, it has undergone four major revisions, three of which involved a significant architectural advancement. Along the way, a software process evolved that addresses the issues of code verification, maintainability, and support for the expanding user base. The software process also resolves the conflicts arising out of being in development and production simultaneously with multiple research projects, and between performance and portability. This paper describes the process of code evolution with emphasis on the design decisions and software management policies that have been instrumental in the success of the code. The paper also makes the case for a symbiotic relationship between scientific research and good software engineering of the simulation software. C1 [Dubey, Anshu; Daley, Chris; Gallagher, J. Brad; Lamb, Donald Q.; Lee, Dongwook; Taylor, Noel T.; Weide, Klaus] Univ Chicago, Flash Ctr Computat Sci, Chicago, IL 60637 USA. [Dubey, Anshu] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA USA. [Antypas, Katie; Daley, Chris] Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA USA. [Calder, Alan C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY USA. [Calder, Alan C.] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY USA. [Gallagher, J. Brad; Lamb, Donald Q.; Lee, Dongwook; Rosner, Robert; Weide, Klaus] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Lamb, Donald Q.; Lee, Dongwook; Rosner, Robert; Siegel, Andrew] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Fryxell, Bruce] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Lamb, Donald Q.; Lee, Dongwook; Rosner, Robert] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Lamb, Donald Q.; Lee, Dongwook; Rosner, Robert] Argonne Natl Lab, Argonne, IL 60439 USA. [Olson, Kevin] Drexel Univ, Dept Phys, Philadelphia, PA USA. [Reid, Lynn B.] Univ Western Australia, Nedlands, WA 6009, Australia. [Reid, Lynn B.] CDM Smith, Brisbane, Qld, Australia. [Rich, Paul; Riley, Katherine M.] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Ricker, Paul M.] Univ Illinois, Dept Astron, Chicago, IL 60680 USA. [Timmes, Francis X.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Timmes, Francis X.] Univ Notre Dame, Joint Inst Nucl Astrophys, Notre Dame, IN 46556 USA. [Vladimirova, Natasha] Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. [ZuHone, John] NASA Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD USA. RP Dubey, A (reprint author), Univ Chicago, 5747 S Ellis Ave, Chicago, IL 60637 USA. EM adubey@lbl.gov OI Weide, Klaus/0000-0001-9869-9750 FU DOE [B523820]; US DOE NNSA ASC through the Argonne Institute for Computing in Science [57789]; NSF [5-27429] FX The FLASH code was in part developed by the DOE-supported ASC/Alliance Center for Astrophysical Thermonuclear Flashes at the University of Chicago (grant number B523820). The continued development has been supported in part by the US DOE NNSA ASC through the Argonne Institute for Computing in Science (field work proposal 57789) and by a NSF Peta-apps grant (grant number 5-27429). NR 33 TC 2 Z9 2 U1 0 U2 8 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 MAY PY 2014 VL 28 IS 2 SI SI BP 225 EP 237 DI 10.1177/1094342013505656 PG 13 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA AH6EE UT WOS:000336222700006 ER PT J AU Giangrande, SE Bartholomew, MJ Pope, M Collis, S Jensen, MP AF Giangrande, Scott E. Bartholomew, Mary Jane Pope, Mick Collis, Scott Jensen, Michael P. TI A Summary of Precipitation Characteristics from the 2006-11 Northern Australian Wet Seasons as Revealed by ARM Disdrometer Research Facilities (Darwin, Australia) SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article DE Madden-Julian oscillation; Monsoons; Precipitation; Rainfall; Drop size distribution ID RAINDROP SIZE DISTRIBUTION; DUAL-POLARIZED RADAR; DROP-SIZE; DISTRIBUTION PARAMETERS; ATMOSPHERIC RADIATION; MONSOON EXPERIMENT; SQUALL-LINE; STRATIFORM PRECIPITATION; VERTICAL VELOCITY; WESTERN PACIFIC AB The variability of rainfall and drop size distributions (DSDs) as a function of large-scale atmospheric conditions and storm characteristics is investigated using measurements from the Atmospheric Radiation Measurement Program (ARM) facility at Darwin, Australia. Observations are obtained from an impact disdrometer with a near continuous record of operation over five consecutive wet seasons (2006-11). Bulk rainfall characteristics are partitioned according to diurnal accumulation, convective and stratiform precipitation classifications, objective monsoonal regime, and MJO phase. Findings support previous Darwin studies suggesting a significant diurnal and DSD parameter signal associated with both convective-stratiform and wet season monsoonal regime classification. Negligible MJO phase influence is determined for cumulative disdrometric statistics over the Darwin location. C1 [Giangrande, Scott E.; Bartholomew, Mary Jane; Jensen, Michael P.] Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973 USA. [Pope, Mick] Bur Meteorol, Training Ctr, Melbourne, Vic, Australia. [Collis, Scott] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Giangrande, SE (reprint author), Brookhaven Natl Lab, Environm & Climate Sci Dept, Bldg 490D,Bell Ave, Upton, NY 11973 USA. EM scott.giangrande@bnl.gov RI Giangrande, Scott/I-4089-2016 OI Giangrande, Scott/0000-0002-8119-8199 FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy; Climate Science for a Sustainable Energy Future project of the Earth System Modeling program in DOE's Office of Science; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX This manuscript has been authored by employees of Brookhaven Science Associates, LLC, under Contract DE-AC02-98CH10886 with the U.S. Department of Energy. The publisher by accepting the manuscript 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 manuscript, or allow others to do so, for U. S. government purposes. The efforts of Scott Giangrande were partially supported by the Climate Science for a Sustainable Energy Future project of the Earth System Modeling program in DOE's Office of Science. Argonne National Laboratory's (ANL) work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, under Contract DE-AC02-06CH11357. In addition, the authors thank the ARM Climate Research Facility for the extended disdrometer dataset (instrument mentor is author Mary Jane Bartholomew) collection and maintenance. We also thank Dr. Yan Feng of ANL for internal review of this manuscript. NR 71 TC 4 Z9 4 U1 0 U2 7 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 MAY PY 2014 VL 53 IS 5 BP 1213 EP 1231 DI 10.1175/JAMC-D-13-0222.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AG6ZF UT WOS:000335567000006 ER PT J AU Lee, WS Akatay, MC Stach, EA Ribeiro, FH Delgass, WN AF Lee, Wen-Sheng Akatay, M. Cem Stach, Eric A. Ribeiro, Fabio H. Delgass, W. Nicholas TI Gas-phase epoxidation of propylene in the presence of H-2 and O-2 over small gold ensembles in uncalcined TS-1 SO JOURNAL OF CATALYSIS LA English DT Article DE Propylene epoxidation; Gold clusters; Active sites; Uncalcined titanium silicalite-1; Stability; Hydrogen selectivity ID PROPENE EPOXIDATION; TITANIA CATALYSTS; AU NANOPARTICLES; CO OXIDATION; AU/TS-1; SILICA; OXIDE; STABILITY; HYDROGENATION; PRETREATMENT AB A novel catalyst consisting of gold nanoparticles supported on an uncalcined (with template in) titanium silicalite-1 (Au/U-TS-1) and having a very long (similar to 10-20 h) and unique activation period for gas-phase propylene epoxidation in the presence of H-2 and O-2 is reported. Propylene oxide (PO) rate per gram of catalyst, H2 selectivity, and BET apparent surface area of the catalyst were all found to increase during the course of activation, indicating that the number of the active sites in the Au/U-TS-1 for the PO reaction increased together with the formation of nanopores near the surface of the U-TS-1. The activated Au/U-TS-1 catalysts showed high stability and slightly higher H-2 selectivity (similar to 40% vs. similar to 25%) relative to their TS-1 counterparts at the same gold loading similar to 0.04 wt%. Comparison of transient kinetic responses of the PO rate for the Au/U-TS-1 samples pretreated in different environments suggests that in situ hydrogen peroxide generated from O-2 and H-2 over the Au sites is the cause of template removal. The average gold particle sizes of the Au/U-TS-1 samples tested at different periods of time-on-stream (1, 7, 58 h) at similar to 200 degrees C were all found to be similar to 5-6 nm. Since (1) larger gold particles (>2 nm) have been found to be less active for the PO reaction in the Au/TS-1 system, (2) the average gold particle size does not correlate with the increasing PO rate during the course of the catalyst activation, and (3) there was an unexpectedly high surface Au/Si content (determined by XPS) for a spent Au/U-TS-1 sample with a low density of gold nanoparticles and large gold particles (similar to 5-6 nm), we propose that the migration of gold species into the in situ formed nanopores generates the active sites (Au-Ti) for the PO reaction in the sublayer of the U-TS-1 surface, resulting in the long induction time observed in Au/U-TS-1 catalysts. The mechanistic implication of this unique phenomenon is that gold clusters inside the nanopores in the TS-1 can serve as the active sites for the PO reaction, which is also supported by the similar apparent activation energies (28-36 kJ mole(-1)) observed among the Au/U-TS-1, Au/TS-1 and Au supported on S-1 coated TS-1 catalysts. (C) 2014 Elsevier Inc. All rights reserved. C1 [Lee, Wen-Sheng; Ribeiro, Fabio H.; Delgass, W. Nicholas] Purdue Univ, W Lafayette, IN 47907 USA. [Akatay, M. Cem; Stach, Eric A.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Akatay, M. Cem; Stach, Eric A.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Delgass, WN (reprint author), Purdue Univ, Forney Hall Chem Engn,480 Stadium Mall Dr, W Lafayette, IN 47907 USA. EM delgass@purdue.edu RI Stach, Eric/D-8545-2011; OI Stach, Eric/0000-0002-3366-2153; Ribeiro, Fabio/0000-0001-7752-461X FU Department of Energy, Office of Basic Energy Sciences, Chemical Sciences [DE-FG02-03ER15408]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Support from the Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, under Grant DE-FG02-03ER15408 is gratefully acknowledged. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 48 TC 20 Z9 20 U1 8 U2 110 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 MAY PY 2014 VL 313 BP 104 EP 112 DI 10.1016/j.jcat.2014.02.013 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AH9PA UT WOS:000336473100010 ER PT J AU Liu, JJ Guo, Z Childers, D Schweitzer, N Marshall, CL Klie, RF Miller, JT Meyer, RJ AF Liu, Jingjing Guo, Zhao Childers, David Schweitzer, Neil Marshall, Christopher L. Klie, Robert F. Miller, Jeffrey T. Meyer, Randall J. TI Correlating the degree of metal-promoter interaction to ethanol selectivity over MnRh/CNTs CO hydrogenation catalysts SO JOURNAL OF CATALYSIS LA English DT Article DE Rhodium; Alcohol synthesis; STEM-EELS; CO hydrogenation; Manganese promoter; Carbon nanotubes ID FISCHER-TROPSCH CATALYSTS; RH-BASED CATALYSTS; CARBON NANOTUBES; ELECTRON-MICROSCOPY; ALCOHOL SYNTHESIS; RAY-ABSORPTION; RHODIUM; SYNGAS; CONVERSION; MANGANESE AB Multi-walled carbon nanotubes (MCNTs) were used as a support for Rh-based catalysts for high pressure (20 bar) CO hydrogenation. 3 wt% Rh/CNTs catalysts were loaded with 1 wt% and 2 wt% Mn promoter, respectively, in order to study the effect of metal-promoter interactions for ethanol synthesis. Both STEM and EXAFS results showed similar to 1 nmRh particles in promoted as well as the unpromoted catalysts, STEM and EELS results verified the enhanced metal-promoter interaction when the amount of Mn promoter increased from 1 wt% to 2 wt%. The enhancement in the degree of metal-promoter interaction leads to an increase in the ethanol selectivity. Moreover, due to the nature of CNTs (low Z number), the Mn-Rh interactions could be observed at atomic resolution during the STEM-EELS characterization, and the promoter phase is confirmed as Mn(II) oxide by}CANES and EELS. (C) 2014 Elsevier Inc. All rights reserved. C1 [Liu, Jingjing; Childers, David; Meyer, Randall J.] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. [Guo, Zhao; Klie, Robert F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Schweitzer, Neil] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA. [Marshall, Christopher L.; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Meyer, RJ (reprint author), Univ Illinois, Dept Chem Engn, 810 S Clinton St, Chicago, IL 60607 USA. EM rjm@uic.edu RI liu, jingjing/K-1183-2016; Marshall, Christopher/D-1493-2015 OI Marshall, Christopher/0000-0002-1285-7648 FU National Science Foundation [CBET-1067020]; Institute for Atom-Efficient Chemical Transformation (IACT); US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions; MRI-R2 grant from the National Science Foundation [DMR-0959470]; UIC Research Resources Center FX RJM, JJL and RFK would like to acknowledge financial support by National Science Foundation (CBET-1067020). Funding for JTM and CLM has been provided by the Institute for Atom-Efficient Chemical Transformation (IACT), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Use of the Advanced Photon Source is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract DE-AC02-06CH11357, MRCAT operation are supported by the Department of Energy and the MRCAT member institutions. We thank Guanghui Zhang from Wuhan university for his help on Rh2O3 XANES spectrum calibration. We also thank Dr. Haojuan Wei, Dr. Michael Schwartz, Dr. Richard Pauls, and Dr. Robert McCoy at Argonne National Lab for their discussion, help and advice while constructing the high pressure CO hydrogenation reactor. The UIC JEOL JEM-ARM200CF is supported by an MRI-R2 grant from the National Science Foundation (Grant No. DMR-0959470). Support from the UIC Research Resources Center is acknowledged. NR 53 TC 15 Z9 16 U1 6 U2 66 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 MAY PY 2014 VL 313 BP 149 EP 158 DI 10.1016/j.jcat.2014.03.002 PG 10 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AH9PA UT WOS:000336473100014 ER PT J AU Yang, Q Leung, LR Rauscher, SA Ringler, TD Taylor, MA AF Yang, Qing Leung, L. Ruby Rauscher, Sara A. Ringler, Todd D. Taylor, Mark A. TI Atmospheric Moisture Budget and Spatial Resolution Dependence of Precipitation Extremes in Aquaplanet Simulations SO JOURNAL OF CLIMATE LA English DT Article DE Climate models ID HORIZONTAL RESOLUTION; DYNAMICAL CORE; CLIMATE MODEL; HYDROCLIMATE; CONVERGENCE; CONVECTION; INCREASES; VERSION; IMPACT; RANGE AB This study investigates the moisture budgets and resolution dependency of precipitation extremes in an aquaplanet framework based on the Community Atmosphere Model, version 4 (CAM4). Moisture budgets from simulations using two different dynamical cores, the Model for Prediction Across Scales-Atmosphere (MPAS-A) and High Order Method Modeling Environment (HOMME), but the same physics parameterizations suggest that during precipitation extremes the intensity of precipitation is approximately balanced by the vertical advective moisture transport. The resolution dependency in extremes from simulations at their native grid resolution originates from that of vertical moisture transport, which is mainly explained by changes in dynamics (related to vertical velocity ) with resolution. When assessed at the same grid scale by area-weighted averaging the fine-resolution simulations to the coarse grids, simulations with either dynamical core still demonstrate resolution dependency in extreme precipitation with no convergence over the tropics, but convergence occurs at a wide range of latitudes over the extratropics. The use of lower temporal frequency data (i.e., daily vs 6 hourly) reduces the resolution dependency. Although thermodynamic (moisture) changes become significant in offsetting the effect of dynamics when assessed at the same grid scale, especially over the extratropics, changes in dynamics with resolution are still large and explain most of the resolution dependency during extremes. This suggests that the effects of subgrid-scale variability of and vertical moisture transport during extremes are not adequately parameterized by the model at coarse resolution. The aquaplanet framework and analysis described in this study provide an important metric for assessing sensitivities of cloud parameterizations to spatial resolution and dynamical cores under extreme conditions. C1 [Yang, Qing; Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rauscher, Sara A.; Ringler, Todd D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yang, Q (reprint author), 902 Battelle Blvd,POB 999,MSIN K9-30, Richland, WA 99352 USA. EM qing.yang@pnnl.gov RI Yang, Qing/H-3275-2011 OI Yang, Qing/0000-0003-2067-5999 FU Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX We thank Samson Hagos and Kiranmayi Landu for the helpful discussion and the internal review of this manuscript. This research was supported by the Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 37 TC 11 Z9 11 U1 2 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 MAY PY 2014 VL 27 IS 10 BP 3565 EP 3581 DI 10.1175/JCLI-D-13-00468.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AG6PO UT WOS:000335541100007 ER PT J AU Font-Ribera, A Kirkby, D Busca, N Miralda-Escude, J Ross, NP Slosar, A Rich, J Aubourg, E Bailey, S Bhardwaj, V Bautista, J Beutler, F Bizyaev, D Blomqvist, M Brewington, H Brinkmann, J Brownstein, JR Carithers, B Dawson, KS Delubac, T Ebelke, G Eisenstein, DJ Ge, J Kinemuchi, K Lee, KG Malanushenko, V Malanushenko, E Marchante, M Margala, D Muna, D Myers, AD Noterdaeme, P Oravetz, D Palanque-Delabrouille, N Paris, I Petitjean, P Pieri, MM Rossi, G Schneider, DP Simmons, A Viel, M Yeche, C York, DG AF Font-Ribera, Andreu Kirkby, David Busca, Nicolas Miralda-Escude, Jordi Ross, Nicholas P. Slosar, Arze Rich, James Aubourg, Eric Bailey, Stephen Bhardwaj, Vaishali Bautista, Julian Beutler, Florian Bizyaev, Dmitry Blomqvist, Michael Brewington, Howard Brinkmann, Jon Brownstein, Joel R. Carithers, Bill Dawson, Kyle S. Delubac, Timothee Ebelke, Garrett Eisenstein, Daniel J. Ge, Jian Kinemuchi, Karen Lee, Khee-Gan Malanushenko, Viktor Malanushenko, Elena Marchante, Moses Margala, Daniel Muna, Demitri Myers, Adam D. Noterdaeme, Pasquier Oravetz, Daniel Palanque-Delabrouille, Nathalie Paris, Isabelle Petitjean, Patrick Pieri, Matthew M. Rossi, Graziano Schneider, Donald P. Simmons, Audrey Viel, Matteo Yeche, Christophe York, Donald G. TI Quasar-Lyman a forest cross-correlation from BOSS DR11: Baryon Acoustic Oscillations SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE Lyman alpha forest; baryon acoustic oscillations; redshift surveys; dark energy experiments ID DIGITAL SKY SURVEY; LY-ALPHA FOREST; DATA RELEASE 9; 9TH DATA RELEASE; SPECTROSCOPIC SURVEY; SDSS-III; TARGET SELECTION; DARK ENERGY; POWER-SPECTRUM; SUPERNOVAE AB We measure the large-scale cross-correlation of quasars with the Ly alpha forest absorption, using over 164,000 quasars from Data Release 11 of the SDSS-III Baryon Oscillation Spectroscopic Survey. We extend the previous study of roughly 60,000 quasars from Data Release 9 to larger separations, allowing a measurement of the Baryonic Acoustic Oscillation (BAO) scale along the line of sight cl(H(z = 2.36) r(s)) = 9.0 +/- 0.3 and across the line of sight DA(z = 2.36) / r(s) = 10.8 +/- 0.4, consistent with CMB and other BAO data. Using the best fit value of the sound horizon from Planck data (r(s) = 147.49 Mpc), we can translate these results to a measurement of the Hubble parameter of H(z = 2.36) = 226 +/- 8km s(-1)Mpc(-1) and of the angular diameter distance of DA(z = 2.36) = 1590 +/- 60 Mpc. The measured cross-correlation function and an update of the code to fit the BAO scale (baofit) are made publicly available. C1 [Font-Ribera, Andreu] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Font-Ribera, Andreu; Ross, Nicholas P.; Bailey, Stephen; Bhardwaj, Vaishali; Beutler, Florian; Carithers, Bill] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kirkby, David; Blomqvist, Michael; Margala, Daniel] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Busca, Nicolas; Aubourg, Eric; Bautista, Julian] Univ Paris 07, CNRS IN2P3, CEA, Observ Paris,APC, Paris, France. [Miralda-Escude, Jordi] Inst Ciencies Cosmos IEEC UB, Barcelona 08028, Catalonia, Spain. [Miralda-Escude, Jordi] Inst Catalana Recerca & Estudis Avancats, Barcelona 08010, Catalonia, Spain. [Ross, Nicholas P.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Slosar, Arze] Brookhaven Natl Lab, Upton, NY 11375 USA. [Bhardwaj, Vaishali; Bizyaev, Dmitry; Kinemuchi, Karen; Marchante, Moses; Oravetz, Daniel; Simmons, Audrey] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Brewington, Howard; Brinkmann, Jon; Ebelke, Garrett; Malanushenko, Viktor; Malanushenko, Elena] Apache Point Observ, Sunspot, NM 88349 USA. [Brewington, Howard; Brinkmann, Jon; Ebelke, Garrett; Malanushenko, Viktor; Malanushenko, Elena] New Mexico State Univ, Sunspot, NM 88349 USA. [Brownstein, Joel R.; Dawson, Kyle S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Rich, James; Delubac, Timothee; Palanque-Delabrouille, Nathalie; Rossi, Graziano; Yeche, Christophe] CEA, Ctr Saclay, IRFU, F-91191 Gif Sur Yvette, France. [Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ge, Jian] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Lee, Khee-Gan] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Muna, Demitri] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron 3905, Laramie, WY 82071 USA. [Noterdaeme, Pasquier; Petitjean, Patrick] CNRS UPMC, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Paris, Isabelle] Univ Chile, Dept Astron, Santiago, Chile. [Pieri, Matthew M.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Viel, Matteo] Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. [Viel, Matteo] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [York, Donald G.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60615 USA. [York, Donald G.] Univ Chicago, Fermi Inst, Chicago, IL 60615 USA. RP Font-Ribera, A (reprint author), Univ Zurich, Inst Theoret Phys, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM font@physik.uzh.ch FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Spanish grant [AYA2012-33938]; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science FX This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. DK would like to thank CEA Saclay for their hospitality and productive environment during his sabbatical. JM is supported in part by Spanish grant AYA2012-33938.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III web site is http://www.sdssRorg/. Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 47 TC 65 Z9 66 U1 3 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD MAY PY 2014 IS 5 AR 027 DI 10.1088/1475-7516/2014/05/027 PG 26 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH4JC UT WOS:000336092200029 ER PT J AU Font-Ribera, A McDonald, P Mostek, N Reid, BA Seo, HJ Slosar, A AF Font-Ribera, Andreu McDonald, Patrick Mostek, Nick Reid, Beth A. Seo, Hee-Jong Slosar, Anze TI DESI and other Dark Energy experiments in the era of neutrino mass measurements SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark energy experiments; cosmological parameters from LSS; neutrino masses from cosmology; inflation ID LY-ALPHA FOREST; OSCILLATION SPECTROSCOPIC SURVEY; BARYON ACOUSTIC-OSCILLATIONS; PRIMORDIAL NON-GAUSSIANITY; WEAK-LENSING SURVEYS; DIGITAL SKY SURVEY; MICROWAVE BACKGROUND ANISOTROPIES; TEMPERATURE-DENSITY RELATION; ABSORPTION-SPECTRA LUQAS; MATTER POWER SPECTRUM AB We present Fisher matrix projections for future cosmological parameter measurements, including neutrino masses, Dark Energy, curvature, modified gravity, the inflationary perturbation spectrum, non-Gaussianity, and dark radiation. We focus on DESI and generally redshift surveys (BOSS, HETDEX, eBOSS, Euclid, and WFIRST), but also include CMB (Planck) and weak gravitational lensing (DES and LSST) constraints. The goal is to present a consistent set of projections, for concrete experiments, which are otherwise scattered throughout many papers and proposals. We include neutrino mass as a free parameter in most projections, as it will inevitably be relevant DESI and other experiments can measure the sum of neutrino masses to similar to 0.02 eV or better, while the minimum possible sum is similar to 0.06 eV. We note that constraints on Dark Energy are significantly degraded by the presence of neutrino mass uncertainty, especially when using galaxy clustering only as a probe of the BAO distance scale (because this introduces additional uncertainty in the background evolution after the CMB epoch). Using broadband galaxy power becomes relatively more powerful, and bigger gains are achieved by combining lensing survey constraints with redshift survey constraints. We do not try to be especially innovative, e.g., with complex treatments of potential systematic errors - these projections are intended as a straightforward baseline for comparison to more detailed analyses. C1 [Font-Ribera, Andreu] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Font-Ribera, Andreu; McDonald, Patrick; Mostek, Nick; Reid, Beth A.; Seo, Hee-Jong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Slosar, Anze] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Font-Ribera, A (reprint author), Univ Zurich, Inst Theoret Phys, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM afont@lbl.gov; PVMcDonald@lbl.gov; njmostek@lbl.gov; BAReid@lbl.gov; hee-jongseo@lbl.gov; anze@bnl.gov OI Slosar, Anze/0000-0002-8713-3695; McDonald, Patrick/0000-0001-8346-8394 NR 199 TC 48 Z9 48 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD MAY PY 2014 IS 5 AR 23 DI 10.1088/1475-7516/2014/05/023 PG 56 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH4JC UT WOS:000336092200025 ER PT J AU Okumura, T Seljak, U Vlah, Z Desjacques, V AF Okumura, Teppei Seljak, Uros Vlah, Zvonimir Desjacques, Vincent TI Peculiar velocities in redshift space: formalism, N-body simulations and perturbation theory SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE galaxy clustering; power spectrum; redshift surveys; cosmological perturbation theory ID MICROWAVE BACKGROUND ANISOTROPIES; COSMOLOGICAL POWER SPECTRA; LARGE-SCALE STRUCTURE; LINEAR REGIME; IA SUPERNOVAE; GALAXIES; UNIVERSE; MODEL; HALO; CLUSTERS AB Direct measurements of peculiar velocities of galaxies and clusters of galaxies can in principle provide explicit information on the three dimensional mass distribution, but this information is modulated by the fact that velocity field is sampled at galaxy positions, and is thus probing galaxy momentum. We derive expressions for the cross power spectrum between the density and momentum field and the auto spectrum of the momentum field in redshift space, by extending the distribution function method to these statistics. The resulting momentum cross and auto power spectra in redshift space are expressed as infinite sums over velocity moment correlators in real space, as is the case for the density power spectrum in redshift space. We compute each correlator using Eulerian perturbation theory (PT) and halo biasing model and compare the resulting redshift-space velocity statistics to those measured from N-body simulations for both dark matter and halos. We find that in redshift space linear theory predictions for the density-momentum cross power spectrum as well as for the momentum auto spectrum fail to predict the N-body results at very large scales. On the other hand, our nonlinear PT prediction for these velocity statistics, together with real-space power spectrum for dark matter from simulations, improves the accuracy for both dark matter and halos. We also present the same analysis in configuration space, computing the redshift-space pairwise mean infall velocities and velocity correlation function and compare to nonlinear PT. C1 [Okumura, Teppei; Seljak, Uros] Ewha Womans Univ, Inst Early Universe, Seoul 120750, South Korea. [Okumura, Teppei] Univ Tokyo, WPI, Kavli Inst Phys & Math Universe, Chiba 2778582, Japan. [Seljak, Uros] Univ Calif Berkeley, Dept Astron, Dept Phys, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Vlah, Zvonimir] Univ Zurich, Inst Phys, CH-8057 Zurich, Switzerland. [Desjacques, Vincent] Univ Geneva, Dept Phys Theor, CH-1211 Geneva, Switzerland. [Desjacques, Vincent] Univ Geneva, Ctr Astroparticle Phys, CH-1211 Geneva, Switzerland. RP Okumura, T (reprint author), Ewha Womans Univ, Inst Early Universe, Seoul 120750, South Korea. EM teppei.okumura@ipmu.jp; useljak@berkeley.edu; zvlah@physik.uzh.ch; Vincent.Desjacques@unige.ch FU DOE; WCU [R32-10130]; Ewha Womans University research fund [1-2008-2935-001-2]; Swiss National Foundation [200021-116696/1]; Swiss National Science Foundation FX We would like to thank Tobias Baldauf and Beth Reid for useful discussions and Stephen Appleby for careful reading of this manuscript. We also thank the anonymous referee for many useful suggestions. This research was supported by the DOE, WCU grant R32-10130, Ewha Womans University research fund 1-2008-2935-001-2, and the Swiss National Foundation under contract 200021-116696/1. V.D. acknowledges support by the Swiss National Science Foundation. NR 80 TC 8 Z9 8 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD MAY PY 2014 IS 5 AR 003 DI 10.1088/1475-7516/2014/05/003 PG 47 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH4JC UT WOS:000336092200005 ER PT J AU Porto, RA Senatore, L Zaldarriaga, M AF Porto, Rafael A. Senatore, Leonardo Zaldarriaga, Matias TI The Lagrangian-space Effective Field Theory of large scale structures SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; particle physics - cosmology connection; baryon acoustic oscillations; cosmological perturbation theory ID COSMOLOGICAL PERTURBATION-THEORY; UNIVERSE AB We introduce a Lagrangian-space Effective Field Theory (LEFT) formalism for the study of cosmological large scale structures. Unlike the previous Eulerian-space construction, it is naturally formulated as an effective field theory of extended objects in Lagrangian space. In LEFT the resulting finite size effects are described using a multipole expansion parameterized by a set of time dependent coefficients and organized in powers of the ratio of the wavenumber of interest k over the non-linear scale k(NL). The multipoles encode the effects of the short distance modes on the long-wavelength universe and absorb UV divergences when present. There are no IR divergences in LEFT. Some of the parameters that control the perturbative approach are not assumed to be small and can be automatically resummed. We present an illustrative one-loop calculation for a power law universe. We describe the dynamics both at the level of the equations of motion and through an action formalism. C1 [Porto, Rafael A.; Zaldarriaga, Matias] Inst Adv Study, Sch Nat Sci, Princeton, NJ 08540 USA. [Porto, Rafael A.] DESY, Theory Grp, D-22603 Hamburg, Germany. [Senatore, Leonardo] Stanford Univ, Stanford Inst Theoret Phys, Stanford, CA 94306 USA. [Senatore, Leonardo] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Senatore, Leonardo] SLAC, Menlo Pk, CA 94025 USA. [Senatore, Leonardo] CERN, Div Theory, CH-1211 Geneva 23, Switzerland. RP Porto, RA (reprint author), Inst Adv Study, Sch Nat Sci, Olden Lane, Princeton, NJ 08540 USA. EM rporto@ias.edu; senatore@stanford.edu; matiasz@ias.edu FU NSF [AST-0807444, PHY-1068380]; DOE [DE-FG02-90ER40542]; German Science Foundation (DFG) within the Collaborative Research Center (SFB) 676 'Particles, Strings and the Early Universe'; DOE Early Career Award [DE-FG02-12ER41854]; National Science Foundation [PHY-0855425, AST-0907969, PHY-1213563]; David & Lucile Packard Foundation FX R. A. P. was supported by NSF grant AST-0807444 and DOE grant DE-FG02-90ER40542, and by the German Science Foundation (DFG) within the Collaborative Research Center (SFB) 676 'Particles, Strings and the Early Universe'. R.A.P. would like to thank Imme F. Roewer and Emiliano A. Porto for their patience and support. L. S. is supported by DOE Early Career Award DE-FG02-12ER41854 and by NSF grant PHY-1068380. M.Z. is supported in part by the National Science Foundation grants PHY-0855425, AST-0907969, PHY-1213563 and by the David & Lucile Packard Foundation. We thank Tobias Baldauf, Daniel Baumann, J.J. Carrasco, Raphael Flauger, Simon Foreman, Daniel Green, Enrico Pajer, and Svetlin Tassev for useful discussions and comments on the draft. NR 37 TC 45 Z9 45 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD MAY PY 2014 IS 5 AR 22 DI 10.1088/1475-7516/2014/05/022 PG 47 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH4JC UT WOS:000336092200024 ER PT J AU Gong, KP Park, J Su, D Adzic, RR AF Gong, Kuanping Park, Jinseong Su, Dong Adzic, Radoslav R. TI Metalizing carbon nanotubes with Pd-Pt core-shell nanowires enhances electrocatalytic activity and stability in the oxygen reduction reaction SO JOURNAL OF SOLID STATE ELECTROCHEMISTRY LA English DT Article DE Carbon nanotubes; Core-shell nanowires; Platinum monolayer electrocatalyst; Oxygen reduction reaction ID PLATINUM-MONOLAYER ELECTROCATALYSTS; MEMBRANE FUEL-CELLS; CATALYTIC-ACTIVITY; PALLADIUM NANOPARTICLES; BIMETALLIC CATALYSTS; NANOCRYSTALS; DISPERSION; ULTRATHIN; METHANOL; DESIGN AB We describe an electrostatically induced self-assembly method to prepare ultrathin Pd nanowires (NWs) surrounding individual multiwalled carbon nanotubes, i.e., Pd-NW/MWNTs, that are noticeable for improving performance in the oxygen reduction reaction (ORR) of their supported Pt-ML electrocatalyst. The carbonaceous by-products in MWNTs, rather than the nanotubes themselves, are modified with the oxygenated terminals to allow the negatively charged and hydrophilic surface while retaining the intrinsic nature of the MWNTs. Encompassing the nanotubes' length are 2-nm-thick Pd NWs that are closely packed and homogeneously dispersed due to the unique processes for preparing Pd-NW/MWNTs and its components. Although the crystal lattice of the Pd NWs expands somewhat, which should cause an unfavorable interaction with supported Pt-ML, this adverse effect is counterweighed by the shape-determined features of Pd NWs, including their high specific surface area, excellent contiguousness, and low-energy atomic configuration. Consequently, these distinct chemical and physical properties substantially expedite the desorption of the intermediates to refresh the active centers during the reduction of oxygen with the Pt-ML electrocatalyst while ensuring a desirable electron transfer rate, so improving the overall ORR kinetics. Indeed, Pt-ML/Pd-NW/MWNTs exhibits the Pt mass and specific activities of 1.45 A/mg(Pt) and 0.65 mA/cm(2) (Pt), respectively, each of which are several times those of the Pt/C and even higher than those of the Pt-ML supported on Pd nanoparticles. These high activities remained over a long-term stability test using the latest US Department of Energy-established protocol. C1 [Gong, Kuanping; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Gong, Kuanping; Park, Jinseong] Samsung Cheil Ind Inc, San Jose Lab, Corp Res Inst, San Jose, CA 95131 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM adzic@bnl.gov RI Su, Dong/A-8233-2013 OI Su, Dong/0000-0002-1921-6683 FU US Department of Energy, Divisions of Chemical and Material Sciences [DE-AC02-98CH10886] FX This work is supported by the US Department of Energy, Divisions of Chemical and Material Sciences, under the contract no. DE-AC02-98CH10886. NR 41 TC 8 Z9 8 U1 9 U2 90 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1432-8488 EI 1433-0768 J9 J SOLID STATE ELECTR JI J. Solid State Electrochem. PD MAY PY 2014 VL 18 IS 5 BP 1171 EP 1179 DI 10.1007/s10008-013-2214-0 PG 9 WC Electrochemistry SC Electrochemistry GA AH7KG UT WOS:000336311400002 ER PT J AU McKittrick, J Shea-Rohwer, LE AF McKittrick, Joanna Shea-Rohwer, Lauren E. TI Review: Down Conversion Materials for Solid-State Lighting SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Review ID ELECTROPHORETIC DEPOSITION EPD; BLUE-EMITTING PHOSPHOR; LARGE-SCALE SYNTHESIS; INP/ZNS QUANTUM DOTS; ONE-POT SYNTHESIS; WHITE-LIGHT; LUMINESCENT PROPERTIES; OPTICAL-PROPERTIES; RED PHOSPHORS; CRYSTAL-STRUCTURE AB The wavelength down conversion approach to solid-state lighting (SSL) uses down conversion materials to produce visible light when excited by near-UV or blue emission from InGaN LEDs. This review discusses two classes of down conversion materials: phosphors and semiconductor quantum dots (QDs). Strong absorption of the excitation wavelength; high luminous efficacy of radiation, which enables white light with a high color rendering index and a low correlated color temperature; high quantum efficiency; and thermal and chemical stability are some of the criteria for down converters used in SSL. This review addresses the challenges in the development of down converters that satisfy all these criteria. We will discuss the advantages and disadvantages of several phosphor compositions for blue and near-UV LEDs. The use of core/shell architectures to improve the photoluminescence and moisture resistance of phosphors is presented. QDs are another class of down conversion materials for near-UV and blue LEDs. Strategies to improve the photostability and reduce the thermal quenching of QDs include strain-graded core/shell interfaces and alloying. We discuss Cd-containing II-VI QDs, and Cd-free III-V and I-III-VI QDs and their potential for SSL applications. Finally, a description of different methods to integrate the phosphors and QDs with the LED is given. C1 [McKittrick, Joanna] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 93093 USA. [McKittrick, Joanna] Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 93093 USA. [Shea-Rohwer, Lauren E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP McKittrick, J (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, 9500 Gilman Dr, La Jolla, CA 93093 USA. EM jmckittrick@ucsd.edu FU U.S. Department of Energy [DE-EE0002003]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Solid-State Lighting Science Energy Frontier Research Center; U.S. Department of Energy, Office of Basic Energy Sciences FX We thank Prof. Jan Talbot and Dr. Jae Ik Choi (UC San Diego), Dr. Jinkyu Han (Brookhaven National Lab), Drs. Kailash Mishra, Mark Hannah, Alan Piquette and Maria Anc (OSRAM-Sylvania Central Research) for valuable discussions. This work was supported by the U.S. Department of Energy grant DE-EE0002003. 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. Work at Sandia was funded by Sandia's Solid-State Lighting Science Energy Frontier Research Center and the U.S. Department of Energy, Office of Basic Energy Sciences. NR 226 TC 56 Z9 57 U1 28 U2 267 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD MAY PY 2014 VL 97 IS 5 BP 1327 EP 1352 DI 10.1111/jace.12943 PG 26 WC Materials Science, Ceramics SC Materials Science GA AH0KS UT WOS:000335809400001 ER PT J AU Guo, WM Zhang, GJ You, Y Wu, SH Lin, HT AF Guo, Wei-Ming Zhang, Guo-Jun You, Yang Wu, Shang-Hua Lin, Hua-Tay TI TiB2 Powders Synthesis by Borothermal Reduction in TiO2 Under Vacuum SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID ZIRCONIUM DIBORIDE; TITANIUM DIBORIDE; ZRB2; DENSIFICATION; HAFNIUM AB TiB2 powders were synthesized by borothermal reduction in nanoscale TiO2 with boron under vacuum. Reaction processes were investigated, and the effect of by-product B2O3 was evaluated. Results showed that TiO2 was firstly reduced by boron to form TiBO3 and Ti2O3, and then to produce TiB2 and B2O3 with increasing temperature. The reaction processes of TiB2 powders synthesis included two-step reduction in TiO2 by boron and the removal of B2O3. The presence of B2O3, which was previously reported as the most important factor in promoting the coarsening of ZrB2 and HfB2 powders by borothermal reduction, did not lead to significant coarsening of TiB2 powders. Due to the minor effect of B2O3, TiB2 powders with small particle size and low oxygen content could be prepared by direct heat treatment of TiO2 and boron at 1550 degrees C under vacuum for 1h. The particle size and oxygen content of synthesized TiB2 powders were similar to 0.9m and similar to 1.7wt%, respectively. C1 [Guo, Wei-Ming; You, Yang; Wu, Shang-Hua] Guangdong Univ Technol, Sch Electromech Engn, Guangzhou 510006, Guangdong, Peoples R China. [Zhang, Guo-Jun] Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China. [Lin, Hua-Tay] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Guo, WM (reprint author), Guangdong Univ Technol, Sch Electromech Engn, Guangzhou 510006, Guangdong, Peoples R China. EM guo1238@126.com FU National Natural Science Foundation of China [51002169]; State Key Laboratory of High Performance Ceramics and Superfine Microstructure [SKL201201SIC] FX This work was financially supported by the National Natural Science Foundation of China (no. 51002169) and the Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure (no. SKL201201SIC). NR 16 TC 6 Z9 7 U1 5 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD MAY PY 2014 VL 97 IS 5 BP 1359 EP 1362 DI 10.1111/jace.12908 PG 4 WC Materials Science, Ceramics SC Materials Science GA AH0KS UT WOS:000335809400004 ER PT J AU Nelson, AT White, JT Andersson, DA Aguiar, JA McClellan, KJ Byler, DD Short, MP Stanek, CR AF Nelson, Andrew T. White, Joshua T. Andersson, David A. Aguiar, Jeffery A. McClellan, Kenneth J. Byler, Darrin D. Short, Michael P. Stanek, Christopher R. TI Thermal Expansion, Heat Capacity, and Thermal Conductivity of Nickel Ferrite (NiFe2O4) SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID 1300 DEGREES C; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; QUASI-RANDOM STRUCTURES; AUGMENTED-WAVE METHOD; PAPER OXYGEN CONTENT; TRANSITION-METALS; CRUD DEPOSITS; ELECTRONIC-STRUCTURE; HIGH-TEMPERATURE AB Nickel ferrite (NiFe2O4) is a major constituent of the corrosion deposits formed on the exterior of nuclear fuel cladding tubes during operation. NiFe2O4 has attracted much recent interest, mainly due to the impact of these deposits, known as CRUD, on the operation of commercial nuclear reactors. Although advances have been made in modeling CRUD nucleation and growth under a wide range of conditions, the thermophysical properties of NiFe2O4 at high temperatures have only been approximated, thereby limiting the accuracy of such models. In this study, samples of NiFe2O4 were synthesized to provide the thermal diffusivity, specific heat capacity, and thermal expansion data from room temperature to 1300K. These results were then used to determine thermal conductivity. Numerical fits are provided to facilitate ongoing modeling efforts. The Curie temperature determined through these measurements was in slight disagreement with literature values. Transmission electron microscopy investigation of multiple NiFe2O4 samples revealed that minor nonstoichiometry was likely responsible for variations in the Curie temperature. However, these small changes in composition did not impact the thermal conductivity of NiFe2O4, and thus are not expected to play a large role in governing reactor performance. C1 [Nelson, Andrew T.; White, Joshua T.; Andersson, David A.; Aguiar, Jeffery A.; McClellan, Kenneth J.; Byler, Darrin D.; Stanek, Christopher R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Short, Michael P.] MIT, Cambridge, MA 02139 USA. RP Nelson, AT (reprint author), Los Alamos Natl Lab, POB 1667, Los Alamos, NM 87545 USA. EM atnelson@lanl.gov OI Short, Michael/0000-0002-9216-2482; Nelson, Andrew/0000-0002-4071-3502; Aguiar, Jeffery/0000-0001-6101-4762 FU Consortium of Advanced Simulation for Light Water Reactors (CASL) program of the US DOE Office of Nuclear Energy FX This work was supported by the Consortium of Advanced Simulation for Light Water Reactors (CASL) program of the US DOE Office of Nuclear Energy. NR 61 TC 7 Z9 7 U1 6 U2 44 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD MAY PY 2014 VL 97 IS 5 BP 1559 EP 1565 DI 10.1111/jace.12901 PG 7 WC Materials Science, Ceramics SC Materials Science GA AH0KS UT WOS:000335809400037 ER PT J AU Jeong, I AF Jeong, Ilkyoung TI Reverse Monte Carlo modeling of the atomic structure of relaxor ferroelectric Pb(Zn1/3Nb2/3)O-3 SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Reverse Monte Carlo modeling; Neutron total scattering; Local structure; Relaxor ferroelectric ID PAIR DISTRIBUTION FUNCTION; X-RAY-DIFFRACTION; LOCAL-STRUCTURE; NEUTRON; SCATTERING; MOTION AB We performed reverse Monte Carlo (RMC) modeling on neutron total scattering data and obtained an atomic structure consistent with the local and the average structures of the relaxor ferroelectric Pb(Zn1/3Nb2/3)O-3. By analyzing the model structure from the RMC analysis, we found evidence for a significant off-centering of the lead ion that varied in magnitude and direction, leading to a partial ordering of polarizations over a few unit cells. We also estimated the static lattice distortion of the oxygen lattice from the bond-length distributions of atomic pairs. C1 [Jeong, Ilkyoung] Pusan Natl Univ, Dept Phys Educ, Pusan 609735, South Korea. [Jeong, Ilkyoung] Pusan Natl Univ, Res Ctr Dielect & Adv Matter Phys, Pusan 609735, South Korea. [Jeong, Ilkyoung] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jeong, I (reprint author), Pusan Natl Univ, Dept Phys Educ, Pusan 609735, South Korea. EM jeong@pusan.ac.kr FU Pusan National University FX This work was supported by a 2-Year Research Grant of Pusan National University. NR 29 TC 1 Z9 1 U1 0 U2 8 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 EI 1976-8524 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD MAY PY 2014 VL 64 IS 9 BP 1331 EP 1335 DI 10.3938/jkps.64.1331 PG 5 WC Physics, Multidisciplinary SC Physics GA AH7LG UT WOS:000336314000016 ER PT J AU Williams, PT AF Williams, Paul T. TI Reduced Risk of Brain Cancer Mortality from Walking and Running SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE RACE; VIGOROUS EXERCISE; PHYSICAL ACTIVITY; MODERATE EXERCISE; PREVENTION ID PHYSICAL-ACTIVITY; DIABETES-MELLITUS; RECURRENT GLIOMA; INSULIN-RECEPTOR; IGF-I; ADULTS; TUMORS; EXERCISE; SURVIVAL; COHORT AB Purpose This study aimed to test prospectively whether exercise is associated with lower brain cancer mortality in 111,266 runners and 42,136 walkers from the National Runners' and Walkers' Health Studies. Methods Hazard ratios and 95% confidence intervals (95% CI) from Cox proportional hazards analyses of mortality versus metabolic equivalent hours per day of exercise (MET-hours per day, where 1 MET = 3.5 mL O-2 center dot kg(-1)center dot min(-1), or approximately 1-km run). Results The National Death Index identified 110 brain cancer deaths during an 11.7-yr average follow-up. Runners and walkers were combined because the brain cancer risk reduction did not differ significantly between MET-hours per day run and MET-hours per day walked (P = 0.66). When adjusted for sex, age, race, education, and cohort effects, the risk for brain cancer mortality was 43.2% lower for those who exercised 1.8 to 3.5 MET center dot h center dot d(-1) (95% CI = 2.6%-66.8% lower, P = 0.04) and 39.8% lower for those who exercised >= 3.6 MET center dot h center dot d(-1) (95% CI = 0.0%-64.0% lower, P = 0.05) compared with <1.8 MET center dot h center dot d(-1) at baseline. Pooling the runners and walkers who expended >= 1.8 MET center dot h center dot d(-1) showed a 42.5% lower risk of brain cancer mortality for the entire sample (95% CI: 8.0 to 64.1, P = 0.02) and 40.0% lower risk when three deaths that occurred within 1 yr of the baseline survey were excluded (95% CI = 1.3%-62.4%, P = 0.04). Conclusions The risk for fatal brain cancer decreased in association with running and walking energy expenditure. Our ability to detect an exercise-brain cancer relationship may relate to the use of cohorts specifically designed to detect exercise-health associations, and the calculation of exercise energy expenditure from kilometers per day walked and run rather than time spent exercising. C1 [Williams, Paul T.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Donner Lab, Div Life Sci, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU NHLBI NIH HHS [HL094717] NR 40 TC 5 Z9 5 U1 1 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 EI 1530-0315 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD MAY PY 2014 VL 46 IS 5 BP 927 EP 932 DI 10.1249/MSS.0000000000000176 PG 6 WC Sport Sciences SC Sport Sciences GA AH0YX UT WOS:000335847800010 PM 24091993 ER PT J AU Williams, PT AF Williams, Paul T. TI Reduced Total and Cause-Specific Mortality from Walking and Running in Diabetes SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE CARDIOVASCULAR DISEASE; PREVENTION; PHYSICAL ACTIVITY; SEPSIS; CHRONIC KIDNEY DISEASE; COHORT ID SEDENTARY OLDER-ADULTS; PHYSICAL-ACTIVITY; US ADULTS; ANTIHYPERTENSIVE THERAPY; TRANSLATING RESEARCH; DEATH CERTIFICATES; ANTIBODY-RESPONSE; IMMUNE FUNCTION; RISK-FACTORS; EXERCISE AB Purpose This study aimed to assess the relationships of running and walking to mortality in diabetic subjects. Methods We studied the mortality surveillance between January 1, 1989 and December 31, 2008, of 2160 participants of the National Walkers' and Runners' Health Studies who reported using diabetic medications at baseline. Hazard ratios (HR) and 95% confidence intervals (95% CI) were obtained from Cox proportional hazard analyses for mortality versus exercise energy expenditure (MET-hours per day, 1 MET center dot h similar to 1-km run or a 1.5-km brisk walk). Results Three hundred and thirty-one diabetic individuals died during a 9.8-yr average follow-up. Merely meeting the current exercise recommendations was not associated with lower all-cause mortality (P = 0.61), whereas exceeding the recommendations was associated with lower all-cause mortality (HR = 0.64, 95% CI = 0.49-0.82, P = 0.0005). Greater MET-hours per day ran or walked was associated with 40% lower risk for all chronic kidney disease-related deaths (HR = 0.60 per MET center dot h center dot d(-1), 95% CI = 0.35-0.91, P = 0.02), 31% lower risk for all sepsis-related deaths (HR = 0.69, 0.47-0.94, P = 0.01), and 31% lower risk for all pneumonia and influenza-related deaths (HR = 0.69, 95% CI = 0.45-0.97, P = 0.03). Running or walking >= 1.8 MET center dot h center dot d(-1) was associated with 57% reduction in cardiovascular disease (CVD) as an underlying cause of death and 46% lower risk for all CVD-related deaths versus <1.07 MET center dot h center dot d(-1). All results remained significant: 1) adjusted for baseline BMI and 2) excluding all deaths within 3 yr of baseline. Conclusions These results suggest that 1) exercise is associated with significantly lower all-cause, CVD, chronic kidney disease, sepsis, and pneumonia, and influenza mortality in diabetic patients and 2) higher exercise standards may be warranted for diabetic patients than currently provided to the general population. C1 [Williams, Paul T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Donner 464,1 Cycloton Rd, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU NHLBI NIH HHS [HL094717, R01 HL094717] NR 40 TC 7 Z9 7 U1 0 U2 4 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 EI 1530-0315 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD MAY PY 2014 VL 46 IS 5 BP 933 EP 939 DI 10.1249/MSS.0000000000000197 PG 7 WC Sport Sciences SC Sport Sciences GA AH0YX UT WOS:000335847800011 PM 24968127 ER PT J AU Amine, K Kanno, R Tzeng, YH AF Amine, Khalil Kanno, Ryoji Tzeng, Yonhua TI Rechargeable lithium batteries and beyond: Progress, Challenges, and future directions SO MRS BULLETIN LA English DT Article ID NONAQUEOUS LI-O-2 BATTERIES; LI-ION BATTERIES; AIR BATTERIES; OXYGEN BATTERIES; ENERGY-STORAGE; S BATTERIES; LONG-LIFE; ELECTROLYTES; CATHODE; PERFORMANCE AB This issue contains assessments of battery performance involving complex, interrelated physical and chemical processes between electrode materials and electrolytes. Transformational changes in battery technologies are critically needed to enable the effective use of renewable energy sources such as solar and wind to allow for the expansion of hybrid electric vehicles (HEVs) to plug-in HEVs and pure-electric vehicles. For these applications, batteries must store more energy per unit volume and weight, and they must be capable of undergoing many thousands of charge-discharge cycles. The articles in this theme issue present details of several growing interest areas, including high-energy cathode and anode materials for rechargeable Li-ion batteries and challenges of Li metal as an anode material for Li batteries. They also address the recent progress in systems beyond Li ion, including Li-S and Li-air batteries, which represent possible next-generation batteries for electrical vehicles. One article reviews the recent understanding and new strategies and materials for rechargeable Mg batteries. The knowledge presented in these articles is anticipated to catalyze the design of new multifunctional materials that can be tailored to provide the optimal performance required for future electrical energy storage applications. C1 [Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Kanno, Ryoji] Tokyo Inst Technol, Tokyo, Japan. [Tzeng, Yonhua] Natl Cheng Kung Univ, Dept Elect Engn, Tainan 70101, Taiwan. RP Amine, K (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM amine@anl.gov; kanno@echem.titech.ac.jp; tzengyo@gmail.com FU US Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency, and Renewable Energy (EERE) FX This work was supported by the US Department of Energy under Contract DE-AC0206CH11357 with main support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency, and Renewable Energy (EERE). We are also thankful for useful discussions with Jun Lu of Argonne National Laboratory. NR 60 TC 53 Z9 54 U1 18 U2 210 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 MAY PY 2014 VL 39 IS 5 BP 395 EP 405 DI 10.1557/mrs.2014.62 PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH5SR UT WOS:000336191900006 ER PT J AU Croy, JR Abouimrane, A Zhang, ZC AF Croy, Jason R. Abouimrane, Ali Zhang, Zhengcheng TI Next-generation lithium-ion batteries: The promise of near-term advancements SO MRS BULLETIN LA English DT Article ID CARBONATE-BASED ELECTROLYTES; ELECTROCHEMICAL PROPERTIES; FLUOROETHYLENE CARBONATE; FLUORINATED ELECTROLYTES; NEGATIVE-ELECTRODE; CATHODE MATERIALS; OXIDE ELECTRODES; ANODE MATERIAL; SPINEL OXIDES; VOLTAGE FADE AB The commercialization of lithium-ion batteries has intimately changed our lives and enabled portable electronic devices, which has revolutionized communications, entertainment, medicine, and more. After three decades of commercial development, researchers around the world are now pursuing major advances that would allow this technology to power the next generation of light-duty, electric, and hybrid-electric vehicles. If this goal is to be met, concerted advances in safety and cost, as well as cycle-life and energy densities, must be realized through advances in the properties of the highly correlated, but separate, components of lithium-ion energy-storage systems. C1 [Croy, Jason R.; Abouimrane, Ali] Argonne Natl Lab, Argonne, IL 60439 USA. [Zhang, Zhengcheng] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Croy, JR (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM croy@anl.gov; abouimrane@anl.gov; jiguang.zhang@pnnl.gov FU Hybrid Electric Systems Program; Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy of the US Department of Energy; Argonne, a US Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX Support from the Hybrid Electric Systems Program, Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy of the US Department of Energy, in particular, David Howell, Tien Duong, and Peter Faguy, is gratefully acknowledged. J.R.C. thanks K. Gallagher for informative discussions. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory. Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 54 TC 33 Z9 33 U1 4 U2 65 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 MAY PY 2014 VL 39 IS 5 BP 407 EP 415 DI 10.1557/mrs.2014.84 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH5SR UT WOS:000336191900007 ER PT J AU Vaughey, JT Liu, G Zhang, JG AF Vaughey, J. T. Liu, Gao Zhang, Ji-Guang TI Stabilizing the surface of lithium metal SO MRS BULLETIN LA English DT Article ID ION BATTERIES; CYCLING EFFICIENCY; LI ELECTRODES; 1,3-DIOXOLANE-LICLO4 SOLUTIONS; ELECTROCHEMICAL PERFORMANCE; NONAQUEOUS ELECTROLYTES; RECHARGEABLE BATTERIES; PROPYLENE CARBONATE; ULTRAHIGH-VACUUM; ANODES AB The success of high capacity energy storage systems based on lithium (Li) batteries relies on the realization of the promise of Li-metal anodes. Li metal has many, advantageous properties, including an extremely high theoretical specific capacity (3860 mAh g(-1)), the lowest electrochemical potential (-3.040 V versus standard hydrogen electrode), and low density (0.59 g cm(-3)), which, all together, make it a very,desirable electrode for energy storage devices. However, while primary Li batteries are used for numerous commercial applications, rechargeable Li-metal batteries that utilize Li-metal anodes have not been as successful. This article discusses the properties of Li metal in the absence of surface stabilization, as well as three different approaches currently under investigation for stabilizing the surface of Li metal to control its reactivity within the electrochemical environment of a Li-based battery. C1 [Vaughey, J. T.] Argonne Natl Lab, Argonne, IL 60439 USA. [Liu, Gao] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Vaughey, JT (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM vaughey@anl.gov; gliu@lbl.gov; jiguang.zhang@pnnl.gov OI Vaughey, John/0000-0002-2556-6129 FU Laboratory Directed Research and Development fund of PNNL; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technology of the US Department of Energy (DOE), under the Batteries for Advanced Transportation Technologies (BATT) Program; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technology of the US Department of Energy (DOE) FX J.T.V. and G.L. were supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technology of the US Department of Energy (DOE), under the Batteries for Advanced Transportation Technologies (BATT) Program. J.G.Z. was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technology of the US Department of Energy (DOE), and the Laboratory Directed Research and Development fund of PNNL. NR 65 TC 17 Z9 17 U1 7 U2 83 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 MAY PY 2014 VL 39 IS 5 BP 429 EP 435 DI 10.1557/mrs.2014.88 PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH5SR UT WOS:000336191900010 ER PT J AU Riss, A Wickenburg, S Gorman, P Tan, LZ Tsai, HZ de Oteyza, DG Chen, YC Bradley, AJ Ugeda, MM Etkin, G Louie, SG Fischer, FR Crommie, MF AF Riss, Alexander Wickenburg, Sebastian Gorman, Patrick Tan, Liang Z. Tsai, Hsin-Zon de Oteyza, Dimas G. Chen, Yen-Chia Bradley, Aaron J. Ugeda, Miguel M. Etkin, Grisha Louie, Steven G. Fischer, Felix R. Crommie, Michael F. TI Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface SO NANO LETTERS LA English DT Article DE Conducting polymers; C1-C5 thermal enediyne cyclization; radical step-growth polymerization; noncontact atomic force microscopy (nc-AFM); scanning tunneling microscopy (STM); density functional theory (DFT) ID ATOMIC-FORCE MICROSCOPY; GRAPHENE NANORIBBONS; POLYMERS; NANOSTRUCTURES; SEMICONDUCTORS; FABRICATION; TRANSPORT; NETWORKS AB Semiconducting pi-conjugated polymers have attracted significant interest for applications in light-emitting diodes, field-effect transistors, photovoltaics, and nonlinear optoelectronic devices. Central to the success of these functional organic materials is the facile tunability of their electrical, optical, and magnetic properties along with. easy processability and the outstanding mechanical properties associated with polymeric structures. In this work we characterize the chemical and electronic structure of individual chains of oligo-(E)-1,1'-bi(indenylidene), a polyacetylene derivative that we have obtained through cooperative C1-C5 thermal enediyne cyclizations on Au(111) surfaces followed by a step-growth polymerization of the (E)-1,1'-bi(indenylidene) diradical intermediates. We have determined the combined structural and electronic properties of this class of oligomers by characterizing the atomically precise chemical structure of individual monomer building blocks and oligomer chains (via noncontact atomic force microscopy (nc-AFM)), as well as by imaging their localized and extended molecular orbitals (via scanning tunneling microscopy and spectroscopy (STM/STS)). Our combined structural and electronic measurements reveal that the energy associated with extended pi-conjugated states in these oligomers is significantly lower than the energy of the corresponding localized monomer orbitals, consistent with theoretical predictions. C1 [Riss, Alexander; Wickenburg, Sebastian; Tan, Liang Z.; Tsai, Hsin-Zon; de Oteyza, Dimas G.; Chen, Yen-Chia; Bradley, Aaron J.; Ugeda, Miguel M.; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Wickenburg, Sebastian; Tan, Liang Z.; Chen, Yen-Chia; Ugeda, Miguel M.; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Gorman, Patrick; Etkin, Grisha; Fischer, Felix R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [de Oteyza, Dimas G.] UPV EHU Mat Phys Ctr, Ctr Fis Mat CSIC, E-20018 San Sebastian, Spain. RP Fischer, FR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM ffischer@berkeley.edu; crommie@berkeley.edu RI de Oteyza, Dimas/H-5955-2013; Tsai, Hsin-Zon/J-1682-2016; Moreno Ugeda, Miguel/N-3006-2016; OI de Oteyza, Dimas/0000-0001-8060-6819; Tsai, Hsin-Zon/0000-0003-2097-0170; Riss, Alexander/0000-0002-3212-7925; Tan, Liang Z/0000-0003-4724-6369 FU Office of Naval Research BRC Program; U.S. Department of Energy Office of Basic Energy Sciences Nanomachine Program [DE-AC02-05CH11231]; National Science Foundation [DMR-1206512, DMR10-1006184]; Austrian Science Fund (FWF) [J3026-N16]; European Union; Simons Foundation Fellowship in Theoretical Physics; National Science Foundation FX Research supported by the Office of Naval Research BRC Program (molecular synthesis, characterization, and STM imaging), by the U.S. Department of Energy Office of Basic Energy Sciences Nanomachine Program under contract no. DE-AC02-05CH11231 (STM and nc-AFM instrumentation development, MM imaging, GW calculations, and surface renormalization analysis), and by the National Science Foundation awards DMR-1206512 (image analysis) and DMR10-1006184 (DFT calculations). A.R. acknowledges fellowship support by the Austrian Science Fund (FWF): J3026-N16. D.G.O. acknowledges fellowship support by the European Union under FP7-PEOPLE-2010-IOF. S.G.L. acknowledges support from a Simons Foundation Fellowship in Theoretical Physics. We acknowledge the assistance of the XSEDE computational cluster resource provided by NICS (Kraken), supported by the National Science Foundation. NR 34 TC 40 Z9 40 U1 6 U2 114 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2251 EP 2255 DI 10.1021/nl403791q 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 AH4CR UT WOS:000336074800003 PM 24387223 ER PT J AU Caculitan, NG Kai, H Liu, EY Fay, N Yu, Y Lohmuller, T O'Donoghue, GP Groves, JT AF Caculitan, Nina G. Kai, Hiroyuki Liu, Eulanca Y. Fay, Nicole Yu, Yan Lohmueller, Theobald O'Donoghue, Geoff P. Groves, Jay T. TI Size-Based Chromatography of Signaling Clusters in a Living Cell Membrane SO NANO LETTERS LA English DT Article DE Membrane; cluster chromatography; T cell receptor; nanodot array ID RECEPTOR MICROCLUSTERS; IMMUNOLOGICAL SYNAPSE; SUPPORTED MEMBRANES; LIPID-BILAYERS; PEPTIDE-MHC; T-CELLS; ACTIVATION; ORGANIZATION; MECHANISM; LIGAND AB Here we introduce a form of chromatography that can be imposed on the membrane of a living cell. A cell cell signaling interaction is reconstituted in a hybrid live cell-supported membrane junction. The chromatographic material consists of a hexagonally ordered array of gold nanoparticles (nanodot array), which is fabricated onto the underlying substrate. While individual membrane components move freely throughout the array, the movement of larger assemblies is impeded if they exceed the physical dimensions of the array. This tactile approach to probing membrane structures in living cells reveals organizational aspects of the membrane environment unobservable by other techniques. C1 [Caculitan, Nina G.; Kai, Hiroyuki; Liu, Eulanca Y.; Fay, Nicole; Yu, Yan; Lohmueller, Theobald; O'Donoghue, Geoff P.; Groves, Jay T.] Univ Calif Berkeley, Dept Chem, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Yu, Yan; Lohmueller, Theobald; Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Yu, Yan; Lohmueller, Theobald; Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Groves, JT (reprint author), Univ Calif Berkeley, Dept Chem, Howard Hughes Med Inst, Berkeley, CA 94720 USA. EM jtgroves@lbl.gov RI Yu, Yan/A-3919-2015; Lohmueller, Theobald/J-2754-2014; OI Yu, Yan/0000-0002-6482-5672; Lohmueller, Theobald/0000-0003-2699-7067; Yu, Yan/0000-0001-6496-5045 FU National Institute of Allergy and Infectious Diseases (NIAID) [PO1 AI091580]; National Science Foundation (NSF); Deutsche Forschungsgemeinschaft (DFG) FX We thank Dr. Rafal Pielak, Dr. Alexander Smoligovets, Jenny Lin, and Dr. Aiwei Tian for technical assistance and discussion. Research reported in this publication was supported by the National Institute of Allergy and Infectious Diseases (NIAID), Award Number PO1 AI091580. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. N.F. was supported in part by a National Science Foundation (NSF) predoctoral fellowship. T.L. was supported, in part, by a postdoc fellowship from the Deutsche Forschungsgemeinschaft (DFG). NR 41 TC 11 Z9 11 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2293 EP 2298 DI 10.1021/nl404514e 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 AH4CR UT WOS:000336074800009 PM 24655064 ER PT J AU Page, KA Kusoglu, A Stafford, CM Kim, S Kline, RJ Weber, AZ AF Page, Kirt A. Kusoglu, Ahmet Stafford, Christopher M. Kim, Sangcheol Kline, R. Joseph Weber, Adam Z. TI Confinement-Driven Increase in Ionomer Thin-Film Modulus SO NANO LETTERS LA English DT Article DE Nafion; ionomers; membranes; fuel cells; thin films; modulus; stiffness; confinement ID POLYMER ELECTROLYTE MEMBRANE; NAFION MEMBRANES; ELASTIC-MODULI; FUEL-CELLS; WATER; TRANSPORT; TEMPERATURE; CONDUCTIVITY; HUMIDITY; DYNAMICS AB Ion-conductive polymers, or ionomers, are critical materials for a wide range of electrochemical technologies. For optimizing the complex heterogeneous structures in which they occur, there is a need to elucidate the governing structure property relationships, especially at nanoscale dimensions where interfacial interactions dominate the overall materials response due to confinement effects. It is widely acknowledged that polymer physical behavior can be drastically altered from the bulk when under confinement and the literature is replete with examples thereof. However, there is a deficit in the understanding of ionomers when confined to the nanoscale, although it is apparent from literature that confinement can influence ionomer properties. Herein we show that as one particular ionomer, Nafion, is confined to thin films, there is a drastic increase in the modulus over the bulk value, and we demonstrate that this stiffening can explain previously observed deviations in materials properties such as water transport and uptake upon confinement. Moreover, we provide insight into the underlying confinement-induced stiffening through the application of a simple theoretical framework based on self-consistent micromechanics. This framework can be applied to other polymer systems and assumes that as the polymer is confined the mechanical response becomes dominated by the modulus of individual polymer chains. C1 [Page, Kirt A.; Stafford, Christopher M.; Kim, Sangcheol; Kline, R. Joseph] NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. [Kusoglu, Ahmet; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Page, KA (reprint author), NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. EM kirt.page@nist.gov; akusoglu@lbl.gov RI Kline, Regis/B-8557-2008; OI Kusoglu, Ahmet/0000-0002-2761-1050 FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported at LBNL by the Assistant Secretary for Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, of the U.S. Department of Energy under contract number DE-AC02-05CH11231. Portions of this research were carried out at the Stanford Synchrotron Radiation Light Source, a Directorate of SLAG National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. Equipment and instruments or materials are identified in the manuscript in order to adequately specify the experimental details. Such identification does not imply recommendation by the National Institute of Standards and Technology, nor does it imply the materials are necessarily the best available for the purpose. The error bars presented throughout this manuscript represent one standard deviation of the data, which is taken as the experimental uncertainty of the measurement. NR 42 TC 29 Z9 29 U1 3 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2299 EP 2304 DI 10.1021/nl501233g 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 AH4CR UT WOS:000336074800010 PM 24773397 ER PT J AU Villanueva-Cab, J Jang, SR Halverson, AF Zhu, K Frank, AJ AF Villanueva-Cab, Julio Jang, Song-Rim Halverson, Adam F. Zhu, Kai Frank, Arthur J. TI Trap-Free Transport in Ordered and Disordered TiO2 Nanostructures SO NANO LETTERS LA English DT Article DE Trap-free transport; TiO2 nanotubes; grain boundaries; electron scattering; dye-sensitized solar cells ID SENSITIZED SOLAR-CELLS; ELECTRON-TRANSPORT; NANOCRYSTALLINE TIO2; NANOTUBE ARRAYS; NANOPOROUS TIO2; GRAIN MORPHOLOGY; RECOMBINATION; FILMS; SPECTROSCOPY; EFFICIENCY AB Understanding the influence of different film structures on electron diffusion in nanoporous metal oxide films has been challenging. Because of the rate-limiting role that traps play in controlling the transport properties, the structural effects of different film architectures are largely obscured or reduced. We describe a general approach to probe the impact of structural order and disorder on the charge-carrier dynamics without the interference of transport-limiting traps. As an illustration of this approach, we explore the consequences of trap-free diffusion in vertically aligned nanotube structures and random nanoparticle networks in sensitized titanium dioxide solar cells. Values of the electron diffusion coefficients in the nanotubes approached those observed for the single crystal and were up to 2 orders of magnitude greater than those measured for nanoparticle films with various average crystallites sizes. Transport measurements together with modeling show that electron scattering at grain boundaries in particle networks limits trap-free diffusion. In presence of traps, transport was 10(3)-10(5) times slower in nanoparticle films than in the single crystal. Understanding the link between structure and carrier dynamics is important for systematically altering and eventually controlling the electronic properties of nanoscaled materials. C1 [Villanueva-Cab, Julio; Jang, Song-Rim; Halverson, Adam F.; Zhu, Kai; Frank, Arthur J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Frank, AJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Arthur.Frank@nrel.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC36-08GO28308] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC36-08GO28308. NR 41 TC 22 Z9 23 U1 9 U2 75 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2305 EP 2309 DI 10.1021/nl4046087 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 AH4CR UT WOS:000336074800011 PM 24758307 ER PT J AU Zheng, JM Tian, J Wu, DX Gu, M Xu, W Wang, CM Gao, F Engelhard, MH Zhang, JG Liu, J Xiao, J AF Zheng, Jianming Tian, Jian Wu, Dangxin Gu, Meng Xu, Wu Wang, Chongmin Gao, Fei Engelhard, Mark H. Zhang, Ji-Guang Liu, Jun Xiao, Jie TI Lewis Acid-Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries SO NANO LETTERS LA English DT Article DE Metal organic framework; sulfur composite; polysulfides confinement; Lewis acidic center; cycle life; lithium sulfur battery ID LI-S BATTERIES; ELECTROCHEMICAL PROPERTIES; CATHODE MATERIALS; CYCLE LIFE; ELECTROLYTE; PERFORMANCE; POROSITY; NANOPARTICLES; REVERSIBILITY; COMPOSITES AB Lithium-sulfur (Li-S) battery is one of the most promising energy storage systems because of its high specific capacity of 1675 mAh g(-1) based on sulfur. However, the rapid capacity degradation, mainly caused by polysulfide dissolution, remains a significant challenge prior to practical applications. This work demonstrates that a novel Ni-based metal organic framework (Ni-MOF), Ni-6(BTB)(4)(BP)(3) (BTB = benzene-1,3,5-tribenzoate and BP = 4,4'-bipyridyl), can remarkably immobilize polysulfides within the cathode structure through physical and chemical interactions at molecular level. The capacity retention achieves up to 89% after 100 cycles at 0.1 C. The excellent performance is attributed to the synergistic effects of the interwoven mesopores (similar to 2.8 nm) and micropores (similar to 4.4 nm) of Ni-MOF, which first provide an ideal matrix to confine polysulfides, and the strong interactions between Lewis acidic Ni(II) center and the polysulfide base, which significantly slow down the migration of soluble polysulfides out of the pores, leading to the excellent cycling performance of Ni-MOF/S composite. C1 [Zheng, Jianming; Tian, Jian; Xu, Wu; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Wu, Dangxin; Gao, Fei] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Gu, Meng; Wang, Chongmin; Engelhard, Mark H.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. EM jie.xiao@pnnl.gov RI Tian, Jian/I-8637-2012; Gu, Meng/B-8258-2013; Zheng, Jianming/F-2517-2014; OI Zheng, Jianming/0000-0002-4928-8194; Engelhard, Mark/0000-0002-5543-0812; Xu, Wu/0000-0002-2685-8684 FU Department of Energy's Office of Biological and Environmental Research; DOE by Battelle [DE-AC05-76RL01830] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy. The SEM, TEM, XPS, and Computations were conducted at the Environmental and Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 60 TC 114 Z9 114 U1 76 U2 444 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2345 EP 2352 DI 10.1021/nl404721h 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 AH4CR UT WOS:000336074800017 PM 24702610 ER PT J AU Favaloro, T Suh, J Vermeersch, B Liu, K Gu, YJ Chen, LQ Wang, KX Wu, JQ Shakouri, A AF Favaloro, Tela Suh, Joonki Vermeersch, Bjorn Liu, Kai Gu, Yijia Chen, Long-Qing Wang, Kevin X. Wu, Junqiao Shakouri, Ali TI Direct Observation of Nanoscale Peltier and Joule Effects at Metal-Insulator Domain Walls in Vanadium Dioxide Nanobeams SO NANO LETTERS LA English DT Article DE Vanadium dioxide; thermoreflectance microscopy; Peltier effect; Joule heating; metal-insulator domain wall ID PHASE-TRANSITION; VO2; ORGANIZATION; TEMPERATURE; RESOLUTION; NANOWIRES; STRESS; M2 AB The metal to insulator transition (MIT) of strongly correlated materials is subject to strong lattice coupling, which brings about the unique one-dimensional alignment of metal insulator (M-I) domains along nanowires or nanobeams. Many studies have investigated the effects of stress on the MIT and hence the phase boundary, but few have directly examined the temperature profile across the metal insulating interface. Here, we use thermoreflectance microscopy to create two-dimensional temperature maps of single-crystalline VO2 nanobeams under external bias in the phase coexisting regime. We directly observe highly localized alternating Peltier heating and cooling as well as Joule heating concentrated at the M I domain boundaries, indicating the significance of the domain walls and band offsets. Utilizing the thermoreflectance technique, we are able to elucidate strain accumulation along the nanobeam and distinguish between two insulating phases of VO2 through detection of the opposite polarity of their respective thermoreflectance coefficients. Microelasticity theory was employed to predict favorable domain wall configurations, confirming the monoclinic phase identification. C1 [Favaloro, Tela; Shakouri, Ali] Univ Calif Santa Cruz, Baskin Sch Engn, Santa Cruz, CA 95064 USA. [Favaloro, Tela; Vermeersch, Bjorn; Shakouri, Ali] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Suh, Joonki; Liu, Kai; Wang, Kevin X.; Wu, Junqiao] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Liu, Kai; Wu, Junqiao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Gu, Yijia; Chen, Long-Qing] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Shakouri, A (reprint author), Univ Calif Santa Cruz, Baskin Sch Engn, Santa Cruz, CA 95064 USA. EM shakouri@purdue.edu RI Gu, Yijia/A-6418-2013; Liu, Kai/A-4754-2012; Wu, Junqiao/G-7840-2011 OI Gu, Yijia/0000-0001-8036-6309; Liu, Kai/0000-0002-0638-5189; Wu, Junqiao/0000-0002-1498-0148 FU US Department of Energy [DE-FG02-11ER46796]; National Science Foundation [DMR-0820404, DMR-1006541, DMR-1210588]; Center for Energy Efficient Materials, an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001009] FX The work at UC Berkeley was supported by the US Department of Energy Early Career Award under the Award No. DE-FG02-11ER46796. The work at Penn State was supported by the National Science Foundation through grants DMR-0820404, DMR-1006541, and DMR-1210588. The work at UCSC/Purdue was supported by the Center for Energy Efficient Materials, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award Number DE-SC0001009. NR 33 TC 8 Z9 8 U1 4 U2 83 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2394 EP 2400 DI 10.1021/nl500042x PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AH4CR UT WOS:000336074800024 PM 24735496 ER PT J AU Lu, X Utama, MIB Lin, JH Gong, X Zhang, J Zhao, YY Pantelides, ST Wang, JX Dong, ZL Liu, Z Zhou, W Xiong, QH AF Lu, Xin Utama, M. Iqbal Bakti Lin, Junhao Gong, Xue Zhang, Jun Zhao, Yanyuan Pantelides, Sokrates T. Wang, Jingxian Dong, Zhili Liu, Zheng Zhou, Wu Xiong, Qihua TI Large-Area Synthesis of Monolayer and Few-Layer MoSe2 Films on SiO2 Substrates SO NANO LETTERS LA English DT Article DE molybdenum diselenide; monolayer; selenization; chemical vapor deposition; photoluminescence; Raman spectroscopy ID VAPOR-PHASE GROWTH; MOLYBDENUM-DISULFIDE; ATOMIC LAYERS; VALLEY POLARIZATION; GRAIN-BOUNDARY; HIGH-QUALITY; THIN-LAYERS; WSE2; PHOTOLUMINESCENCE; NANOSHEETS AB We present successful synthesis of large area atomically thin MoSe2 films by selenization of MoO3 in a vapor transport chemical vapor deposition (CVD) system. The homogeneous thin film can reach an area of 1 x 1 cm(2) consisting primarily of monolayer and bilayer MoSe2 film. Scanning transmission electron microscopy (STEM) images reveal the highly crystalline nature of the thin film and the atomic structure of grain boundaries in monolayers. Raman and photoluminescence spectroscopy confirm the high quality of as-grown MoSe2 in optics, and electronic transport measurements highlight the potential applications of the sample in nanoelectronics. C1 [Lu, Xin; Utama, M. Iqbal Bakti; Gong, Xue; Zhang, Jun; Zhao, Yanyuan; Xiong, Qihua] Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. [Lin, Junhao; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Lin, Junhao; Pantelides, Sokrates T.; Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Wang, Jingxian] Nanyang Technol Univ, Interdiciplinary Grad Sch, Energy Res Inst NTU, Singapore 637141, Singapore. [Dong, Zhili; Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Liu, Zheng; Xiong, Qihua] Nanyang Technol Univ, Sch Elect & Elect Engn, Nanoelect Ctr Excellence, NOVITAS, Singapore 639798, Singapore. RP Xiong, QH (reprint author), Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. EM Qihua@ntu.edu.sg RI Xiong, Qihua/A-4979-2011; Zhou, Wu/D-8526-2011; Dong, Zhili/A-2249-2011; Zhang, Jun/K-7978-2012; Liu, Zheng/C-1813-2014; Lin, Junhao/D-7980-2015; OI Xiong, Qihua/0000-0002-2555-4363; Zhou, Wu/0000-0002-6803-1095; Dong, Zhili/0000-0001-8116-6747; Zhang, Jun/0000-0002-9831-6796; Liu, Zheng/0000-0002-8825-7198; Lin, Junhao/0000-0002-2195-2823; Utama, Iqbal/0000-0002-4454-8348 FU Singapore National Research Foundation [NRF-RF2009-06]; Ministry of Education [MOE2012-T2-2-086]; Nanyang Technological University [M58110061]; U.S. DOE [DE-FG02-09ER46554]; Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. DOE; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE FX Q.X. gratefully thanks Singapore National Research Foundation via a fellowship grant (NRF-RF2009-06), Ministry of Education via a Tier 2 grant (MOE2012-T2-2-086) and Nanyang Technological University via a start-up grant support (M58110061). This research was also supported in part by U.S. DOE grant DE-FG02-09ER46554 (J.L., S.T.P.), a Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. DOE (W.Z.), the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. DOE (S.T.P.), and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE. NR 46 TC 76 Z9 76 U1 22 U2 364 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2419 EP 2425 DI 10.1021/nl5000906 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AH4CR UT WOS:000336074800028 PM 24678857 ER PT J AU Moon, EJ Balachandran, PV Kirby, BJ Keavney, DJ Sichel-Tissot, RJ Schleputz, CM Karapetrova, E Cheng, XM Rondinelli, JM May, SJ AF Moon, E. J. Balachandran, P. V. Kirby, B. J. Keavney, D. J. Sichel-Tissot, R. J. Schlepuetz, C. M. Karapetrova, E. Cheng, X. M. Rondinelli, J. M. May, S. J. TI Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films SO NANO LETTERS LA English DT Article DE Manganites; perovskites; epitaxial ultrathin film; interfacial properties ID MULTIFUNCTIONAL MATERIALS; OXIDE HETEROSTRUCTURES; PEROVSKITES; TERMINATION; TRANSPORT; NDGAO3 AB We investigate structural coupling of the MnO6 octahedra across a film/substrate interface and the resultant changes of the physical properties of ultrathin La2/3Sr1/3MnO3 (LSMO) films. In order to isolate the effect of interfacial MnO6 octahedral behavior from that of epitaxial strain, LSMO films are grown on substrates with different symmetry and similar lattice parameters. Ultrathin LSMO films show an increased magnetization and electrical conductivity on cubic (LaAlO3)(0.3)(Sr2AlTaO6)(0.7) (LSAT) compared to those grown on orthorhombic NdGaO3 (NGO) substrates, an effect that subsides as the thickness of the films is increased. This study demonstrates that interfacial structural coupling can play a critical role in the functional properties of oxide heterostructures. C1 [Moon, E. J.; Balachandran, P. V.; Sichel-Tissot, R. J.; Rondinelli, J. M.; May, S. J.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Kirby, B. J.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Keavney, D. J.; Schlepuetz, C. M.; Karapetrova, E.] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Cheng, X. M.] Bryn Mawr Coll, Dept Phys, Bryn Mawr, PA 19010 USA. RP Moon, EJ (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM em582@drexel.edu; smay@coe.drexel.edu RI May, Steven/D-8563-2011; Rondinelli, James/A-2071-2009; Moon, Eun Ju/C-7856-2014; Schleputz, Christian/C-4696-2008; Cheng, Xuemei/D-2388-2010 OI May, Steven/0000-0002-8097-1549; Rondinelli, James/0000-0003-0508-2175; Schleputz, Christian/0000-0002-0485-2708; Cheng, Xuemei/0000-0001-6670-4316 FU U.S. Army Research Office [W911NF-12-1-0132, W911NF-11-1-0283]; DARPA [N66001-12-4224]; ARO [W911NF-12-1-0133]; US DOE [DE-AC02-06CH11357]; U.S. DOE [DE-AC02-06CH11357]; NSF [DMR-1053854] FX We thank Leszek Wielunski for RBS measurements and Goran Karapetrov for access to his AFM instrument. E.J.M. and S.J.M. were supported by the U.S. Army Research Office under Grant W911NF-12-1-0132. Acquisition of the PPMS was supported by the U.S. Army Research Office under Grant W911NF-11-1-0283. P.V.B. and J.M.R. were supported by DARPA and ARO under Grant N66001-12-4224 and W911NF-12-1-0133, respectively. DFT calculations were carried out at the high-performance computing cluster (CARBON) of the Center for Nanoscale Materials (Argonne National Laboratory) supported by the US DOE (DE-AC02-06CH11357). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. X.M.C. was supported by NSF DMR-1053854. NR 49 TC 33 Z9 33 U1 9 U2 90 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2509 EP 2514 DI 10.1021/nl500235f 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 AH4CR UT WOS:000336074800042 PM 24697503 ER PT J AU Li, XQ Chen, Q McCue, I Snyder, J Crozier, P Erlebacher, J Sieradzki, K AF Li, Xiaoqian Chen, Qing McCue, Ian Snyder, Joshua Crozier, Peter Erlebacher, Jonah Sieradzki, Karl TI Dealloying of Noble-Metal Alloy Nanoparticles SO NANO LETTERS LA English DT Article DE Nanoparticle; dealloying; nanoporous; noble metal; core-shell; scanning transmission electron microcopy ID OXYGEN REDUCTION REACTION; SILVER NANOPARTICLES; ELECTRODES; DIFFUSION; NANOCATALYSTS; MORPHOLOGY; PARTICLES; EVOLUTION; SURFACE AB Dealloying is currently used to tailor the morphology and composition of nanoparticles and bulk solids for a variety of applications including catalysis, energy storage, sensing, actuation, supercapacitors, and radiation damage resistant materials. The known morphologies, which evolve on dealloying of nanoparticles, include core shell, hollow core-shell, and porous nanoparticles. Here we present results examining the fixed voltage dealloying of AgAu alloy particles in the size range of 2-6 and 20-55 nm. High-angle annular dark-field scanning transmission electron microcopy, energy dispersive, and electron energy loss spectroscopy are used to characterize the size, morphology, and composition of the dealloyed nanoparticles. Our results demonstrate that above the potential corresponding to Ag+/Ag equilibrium only core-shell structures evolve in the 2-6 nm diameter particles. Dealloying of the 20-55 nm particles results and in the formation of porous structures analogous to the behavior observed for the corresponding bulk alloy. A statistical analysis that includes the composition and particle size distributions characterizing the larger particles demonstrates that the formation of porous nanoparticles occurs at a well-defined thermodynamic critical potential. C1 [Li, Xiaoqian; Chen, Qing; Crozier, Peter; Sieradzki, Karl] Arizona State Univ, Ira A Fulton Sch Engn, Tempe, AZ 85287 USA. [McCue, Ian; Erlebacher, Jonah] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. [Snyder, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sieradzki, K (reprint author), Arizona State Univ, Ira A Fulton Sch Engn, Tempe, AZ 85287 USA. EM Karl.Sieradzki@asu.edu RI McCue, Ian/B-5480-2013 OI McCue, Ian/0000-0002-9393-1255 FU NSF [DMR-1003901, DMR-0855969] FX J. E., P. C., and K. S. are grateful to the NSF for financial support under Program Number DMR-1003901 and Number DMR-0855969. NR 29 TC 37 Z9 37 U1 17 U2 229 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2569 EP 2577 DI 10.1021/nl500377g 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 AH4CR UT WOS:000336074800052 PM 24689459 ER PT J AU Zheng, JM Gu, M Genc, A Xiao, J Xu, PH Chen, XL Zhu, ZH Zhao, WB Pullan, L Wang, CM Zhang, JG AF Zheng, Jianming Gu, Meng Genc, Arda Xiao, Jie Xu, Pinghong Chen, Xilin Zhu, Zihua Zhao, Wenbo Pullan, Lee Wang, Chongmin Zhang, Ji-Guang TI Mitigating Voltage Fade in Cathode Materials by Improving the Atomic Level Uniformity of Elemental Distribution SO NANO LETTERS LA English DT Article DE Layered structure; cation distribution; Ni-rich surface; spinel formation; voltage fade; lithium ion battery ID LITHIUM-ION BATTERIES; LAYERED COMPOSITE CATHODE; MANGANESE OXIDE ELECTRODES; HIGH-CAPACITY; SECONDARY BATTERIES; COPRECIPITATION; PERFORMANCE; ANODES; NANOWIRES; PHASE AB Lithium- and manganese-rich (LMR) layered-structure materials are very promising cathodes for high energy density lithium-ion batteries. However, their voltage fading mechanism and its relationships with fundamental structural changes are far from being well understood. Here we report for the first time the mitigation of voltage and energy fade of LMR cathodes by improving the atomic level spatial uniformity of the chemical species. The results reveal that LMR cathodes (Li[Li0.2Ni0.2M0.6]O-2) prepared by coprecipitation and sol-gel methods, which are dominated by a LiMO2 type R (3) over barm structure, show significant nonuniform Ni distribution at particle surfaces. In contrast, the LMR cathode prepared by a hydrothermal assisted method is dominated by a Li2MO3 type C2/ m structure with minimal Ni-rich surfaces. The samples with uniform atomic level spatial distribution demonstrate much better capacity retention and much smaller voltage fade as compared to those with significant nonuniform Ni distribution. The fundamental findings on the direct correlation between the atomic level spatial distribution of the chemical species and the functional stability of the materials may also guide the design of other energy storage materials with enhanced stabilities. C1 [Zheng, Jianming; Xiao, Jie; Chen, Xilin; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Gu, Meng; Zhu, Zihua; Zhao, Wenbo; Wang, Chongmin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Genc, Arda; Pullan, Lee] FEI Co, Hillsboro, OR 97124 USA. [Xu, Pinghong] Univ Calif Davis, Davis, CA 95616 USA. RP Wang, CM (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Chongmin.wang@pnnl.gov; Jiguang.zhang@pnnl.gov RI Zhu, Zihua/K-7652-2012; Gu, Meng/B-8258-2013; Zheng, Jianming/F-2517-2014 OI Zheng, Jianming/0000-0002-4928-8194 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231, 18769]; 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; DOE [DE-AC05-76RLO1830] FX This work is supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 18769, under the Batteries for Advanced Transportation Technologies program. The microscopic study described in this paper is 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. The authors also would like to thank M. M. Thackeray for useful discussions. NR 46 TC 92 Z9 92 U1 21 U2 158 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2628 EP 2635 DI 10.1021/nl500486y 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 AH4CR UT WOS:000336074800061 PM 24707978 ER PT J AU Mishra, R Kim, YM Salafranca, J Kim, SK Chang, SH Bhattacharya, A Fong, DD Pennycook, SJ Pantelides, ST Borisevich, AY AF Mishra, Rohan Kim, Young-Min Salafranca, Juan Kim, Seong Keun Chang, Seo Hyoung Bhattacharya, Anand Fong, Dillon D. Pennycook, Stephen J. Pantelides, Sokrates T. Borisevich, Albina Y. TI Oxygen-Vacancy-Induced Polar Behavior in (LaFeO3)(2)/(SrFeO3) Superlattices SO NANO LETTERS LA English DT Article DE Transition-metal oxides; multiferroics; polar oxides; DFT calculations; scanning transmission electron microscopy; oxygen vacancies ID INITIO MOLECULAR-DYNAMICS; TRANSITION-METAL OXIDES; CHEMICAL EXPANSION; CRYSTAL-STRUCTURE; ELECTRON-GAS; LA1-XSRXFEO3-DELTA; FERROELECTRICITY; ORIGIN; POLARIZATION; PEROVSKITES AB Complex oxides displaying ferroelectric and/or multiferroic behavior are of high fundamental and applied interest. In this work, we show that it is possible to achieve polar order in a superlattice made up of two nonpolar oxides by means of oxygen vacancy ordering. Using scanning transmission electron microscopy imaging, we show the polar displacement of magnetic Fe ions in a superlattice of (LaFeO3)(2)/ (SrFeO3) grown on a SrTiO3 substrate. Using density functional theory calculations, we systematically study the effect of epitaxial strain, octahedral rotations, and surface terminations in the superlattice and find them to have a negligible effect on the antipolar displacements of the Fe ions lying in between SrO and LaO layers of the superlattice (i.e., within La0.3Sr0.5FeO3 unit cells). The introduction of oxygen vacancies, on the other hand, triggers a polar displacement of the Fe ions. We confirm this important result using electron energy loss spectroscopy, which shows partial oxygen vacancy ordering in the region where polar displacements are observed and an absence of vacancy ordering outside of that area. C1 [Mishra, Rohan; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Mishra, Rohan; Kim, Young-Min; Salafranca, Juan; Pantelides, Sokrates T.; Borisevich, Albina Y.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Kim, Young-Min] Korea Basic Sci Inst, Div Electron Microscop Res, Taejon 305806, South Korea. [Kim, Seong Keun; Chang, Seo Hyoung; Bhattacharya, Anand; Fong, Dillon D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Bhattacharya, Anand] Argonne Natl Lab, Nano Sci & Technol Div, Argonne, IL 60439 USA. [Kim, Seong Keun] Korea Inst Sci & Technol, Elect Mat Res Ctr, Seoul 136791, South Korea. [Pennycook, Stephen J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Salafranca, Juan] Univ Complutense, Grp Fis Mat Complejos, E-28040 Madrid, Spain. RP Mishra, R (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM rohan.mishra@vanderbilt.edu; albinab@ornl.gov RI Borisevich, Albina/B-1624-2009; Mishra, Rohan/J-9127-2013; Bhattacharya, Anand/G-1645-2011; Kim, Seong Keun/D-3809-2011; Kim, Young-Min/B-7338-2012 OI Borisevich, Albina/0000-0002-3953-8460; Mishra, Rohan/0000-0003-1261-0087; Bhattacharya, Anand/0000-0002-6839-6860; Kim, Seong Keun/0000-0001-8712-7167; Kim, Young-Min/0000-0003-3220-9004 FU Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE); Oak Ridge National Laboratory's Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of BES, U.S. DOE; DOE [DE-FG02-09ER46554]; ERC [239739 STEMOX]; Juan de la Cierva program (MICINN-Spain) [JCI-2011-09428]; DOE, BES [DE-AC02-06CH11357]; Office of Science of the U.S. DOE [DE-AC02-05CH11231] FX This research was supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE) (R.M., Y.M.K., A.B., D.D.F., S.J.P., S.T.P., A.Y.B.) and through a user project supported by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of BES, U.S. DOE, and DOE grant DE-FG02-09ER46554 (S.T.P.). J.S. was supported by the ERC grant #239739 STEMOX and Juan de la Cierva program JCI-2011-09428 (MICINN-Spain). Work at Argonne National Laboratory, including use of facilities at the Center for Nanoscale Materials, was supported by the DOE, BES, under contract no. DE-AC02-06CH11357. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under contract no. DE-AC02-05CH11231. NR 66 TC 10 Z9 10 U1 14 U2 175 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2694 EP 2701 DI 10.1021/nl500601d 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 AH4CR UT WOS:000336074800071 PM 24734897 ER PT J AU She, CX Fedin, I Dolzhnikov, DS Demortiere, A Schaller, RD Pelton, M Talapin, DV AF She, Chunxing Fedin, Igor Dolzhnikov, Dmitriy S. Demortiere, Arnaud Schaller, Richard D. Pelton, Matthew Talapin, Dmitri V. TI Low-Threshold Stimulated Emission Using Colloidal Quantum Wells SO NANO LETTERS LA English DT Article DE Nanoplatelets; core/shell nanocrystals; stimulated emission; colloidal quantum wells; optical gain ID SINGLE-EXCITON REGIME; ELECTRONIC-STRUCTURE; OPTICAL GAIN; SEMICONDUCTOR NANOCRYSTALS; LASER-EMISSION; DOTS; NANOPLATELETS; AMPLIFICATION; NANORIBBONS; DEPOSITION AB The use of colloidal semiconductor nanocrystals for optical amplification and lasing has been limited by the need for high input power densities. Here we show that colloidal nanoplatelets produce amplified spontaneous emission with thresholds as low as 6 mu J/cm(2) and gain as high as 600 cm(-1), both a significant improvement over colloidal nanocrystals; in addition, gain saturation occurs at pump fluences 2 orders of magnitude higher than the threshold. We attribute this exceptional performance to large optical cross-sections, slow Auger recombination rates, and narrow ensemble emission line widths. C1 [She, Chunxing; Fedin, Igor; Dolzhnikov, Dmitriy S.; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [She, Chunxing; Fedin, Igor; Dolzhnikov, Dmitriy S.; Talapin, Dmitri V.] Univ Chicago, James Frank Inst, Chicago, IL 60637 USA. [Demortiere, Arnaud] Argonne Natl Lab, Ctr Electron Microscopy, Argonne, IL 60439 USA. [Demortiere, Arnaud] IIT, Dept Phys, Chicago, IL 60616 USA. [Schaller, Richard D.; Pelton, Matthew; Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Schaller, Richard D.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Pelton, Matthew] Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. RP Pelton, M (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mpelton@umbc.edu; dvtalapin@uchicago.edu RI She, Chunxing/A-1839-2010; Pelton, Matthew/H-7482-2013 OI She, Chunxing/0000-0003-0598-6545; Pelton, Matthew/0000-0002-6370-8765 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Keck Foundation; University of Chicago; Department of Energy under Department of Energy [DE-AC02-06CH11357]; David and Lucile Packard Fellowship; Samsung Global Research Outreach Program; University of Chicago NSF MRSEC Program [DMR-0213745]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was supported by the Keck Foundation and by the University of Chicago and the Department of Energy under Department of Energy Contract No. DE-AC02-06CH11357, awarded to UChicago Argonne, LLC, operator of Argonne National Laboratory. D.V.T. thanks the David and Lucile Packard Fellowship and the Samsung Global Research Outreach Program. This work used facilities supported by the University of Chicago NSF MRSEC Program under Award Number DMR-0213745. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 42 TC 88 Z9 88 U1 12 U2 109 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2772 EP 2777 DI 10.1021/nl500775p 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 AH4CR UT WOS:000336074800084 PM 24773282 ER PT J AU Das, S Gulotty, R Sumant, AV Roelofs, A AF Das, Saptarshi Gulotty, Richard Sumant, Anirudha V. Roelofs, Andreas TI All Two-Dimensional, Flexible, Transparent, and Thinnest Thin Film Transistor SO NANO LETTERS LA English DT Article DE 2D Crystal; graphene; thin film transistor; flexible electronics ID TRANSITION-METAL DICHALCOGENIDES; GRAPHENE ELECTRONICS; MOS2 TRANSISTORS; MULTILAYER MOS2; SEMICONDUCTORS; PHOTOLUMINESCENCE; FABRICATION; ARRAYS AB In this article, we report only 10 atomic layer thick, high mobility, transparent thin film transistors (TFTs) with ambipolar device characteristics fabricated on both a conventional silicon platform as well as on a flexible substrate. Monolayer graphene was used as metal electrodes, 3-4 atomic layers of h-BN were used as the gate dielectric, and finally bilayers of WSe2 were used as the semiconducting channel material for the TFTs. The field effect carrier mobility was extracted to be 45 cm(2)/(V s), which exceeds the mobility values of state of the art amorphous silicon based TFTs by similar to 100 times. The active device stack of WSe2-hBN-graphene was found to be more than 88% transparent over the entire visible spectrum and the device characteristics were unaltered for in-plane mechanical strain of up to 2%. The device demonstrated remarkable temperature stability over 77-400 K. Low contact resistance value of 1.4 k Omega-mu m, subthreshold slope of 90 mv/decade, current ON-OFF ratio of 10(7), and presence of both electron and hole conduction were observed in our all two-dimensional (2D) TFTs, which are extremely desirable but rarely reported characteristics of most of the organic and inorganic TFTs. To the best of our knowledge, this is the first report of all 2D transparent TFT fabricated on flexible substrate along with the highest mobility and current ON-OFF ratio. C1 [Das, Saptarshi; Gulotty, Richard; Sumant, Anirudha V.; Roelofs, Andreas] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Das, Saptarshi] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Gulotty, Richard] Univ Calif Riverside, Mat Sci & Engn Program, Bourns Coll Engn, Riverside, CA 92521 USA. RP Das, S (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM das.sapt@gmail.com; sumant@anl.gov RI Roelofs, Andreas/H-1742-2011 OI Roelofs, Andreas/0000-0003-4141-3082 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 37 TC 75 Z9 75 U1 50 U2 352 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD MAY PY 2014 VL 14 IS 5 BP 2861 EP 2866 DI 10.1021/nl5009037 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 AH4CR UT WOS:000336074800098 PM 24754722 ER PT J AU van Rooyen, IJ Janney, DE Miller, BD Demkowicz, PA Riesterer, J AF van Rooyen, I. J. Janney, D. E. Miller, B. D. Demkowicz, P. A. Riesterer, J. TI Electron microscopic evaluation and fission product identification of irradiated TRISO coated particles from the AGR-1 experiment: A preliminary review SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy ID UPD2SI2 AB Post-irradiation examination of coated particle fuel from the AGR-1 experiment is in progress at Idaho National Laboratory and Oak Ridge National Laboratory. In this paper a brief summary of results from characterization of microstructures in the coating layers of selected irradiated fuel particles with burnup of 11.3% and 19.3% FIMA will be given. The main objectives of the characterization were to study irradiation effects, fuel kernel porosity, layer debonding, layer degradation or corrosion, fission-product precipitation, grain sizes, and transport of fission products from the kernels across the TRISO layers. Characterization techniques such as scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, and wavelength dispersive spectroscopy were used. A new approach to microscopic quantification of fission-product precipitates is also briefly demonstrated. Microstructural characterization focused on fission-product precipitates in the SiC-IPyC interface, the SiC layer and the fuel-buffer interlayer. The results provide significant new insights into mechanisms of fission-product transport. Although Pd-rich precipitates were identified at the SiC-IPyC interlayer, no significant SiC-layer thinning was observed for the particles investigated. Characterization of these precipitates highlighted the difficulty of measuring low concentrations of Ag in precipitates with significantly higher concentrations of Pd and U. Different approaches to resolving this problem are discussed. An initial hypothesis is provided to explain fission-product precipitate compositions and locations. No SiC phase transformations were observed and no debonding of the SiC-IPyC interlayer as a result of irradiation was observed for the samples investigated. Lessons learned from the post-irradiation examination are described and future actions are recommended. Published by Elsevier B.V. C1 [van Rooyen, I. J.; Janney, D. E.; Miller, B. D.; Demkowicz, P. A.; Riesterer, J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Riesterer, J.] FEI Co, Hillsboro, OR 97124 USA. RP van Rooyen, IJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM isabella.vanrooyen@inl.gov FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. Jim Madden, Scott Ploger and Jason Harp are acknowledged for their contributions toward the SEM/TEM sample preparation. NR 13 TC 13 Z9 13 U1 2 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 114 EP 122 DI 10.1016/j.nucengdes.2013.11.019 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100020 ER PT J AU Hunn, JD Lowden, RA Miller, JH Jolly, BC Trammell, MP Kercher, AK Montgomery, FC Silva, CM AF Hunn, John D. Lowden, Richard A. Miller, James H. Jolly, Brian C. Trammell, Michael P. Kercher, Andrew K. Montgomery, Fred C. Silva, Chinthaka M. TI Fabrication and characterization of driver-fuel particles, designed-to-fail fuel particles, and fuel compacts for the US AGR-3/4 irradiation test SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy ID CROSS-SECTIONS; NUCLEAR-FUEL AB Fuel compacts have been fabricated for the third in a series of irradiation tests designed to study tri-structural isotropic (TRISO) coated particle fuel performance in support of advanced gas-cooled reactor (AGR) development. The purpose of this third irradiation test, designated as AGR-3/4, is to measure fission product release and transport by irradiating compacts containing a small fraction of fuel particles that are intentionally designed to fail (DTF) early in the irradiation test. Transport of fission products released by the mixed uranium carbide/uranium oxide kernels within the DTF particles will be studied in the compact's carbon matrix and in cylindrical rings surrounding the compacts, which were made from either compact matrix material or structural graphite. Results will be used to refine fission product transport models. Coating of the 20-mu m-thick pyrocarbon-coated DTF and standard TRISO driver-fuel particles, fabrication of the fuel compacts containing these particles, and characterization of the key fuel properties are discussed in this paper. (C) 2013 Elsevier B.V. All rights reserved. C1 [Hunn, John D.; Lowden, Richard A.; Miller, James H.; Jolly, Brian C.; Trammell, Michael P.; Kercher, Andrew K.; Montgomery, Fred C.; Silva, Chinthaka M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hunn, JD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM hunnjd@ornl.gov RI Kercher, Andrew/K-1147-2016; OI Kercher, Andrew/0000-0003-1784-5686; Trammell, Michael/0000-0002-6842-2387 FU U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant Program FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant Program. NR 18 TC 0 Z9 0 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 123 EP 130 DI 10.1016/j.nucengdes.2013.11.020 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100021 ER PT J AU Baldwin, CA Hunn, JD Morris, RN Montgomery, FC Silva, CM Demkowicz, PA AF Baldwin, Charles A. Hunn, John D. Morris, Robert N. Montgomery, Fred C. Silva, Chinthaka M. Demkowicz, Paul A. TI First elevated-temperature performance testing of coated particle fuel compacts from the AGR-1 irradiation experiment SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB In the AGR-1 irradiation experiment, 72 coated-particle fuel compacts were taken to a peak burnup of 19.5% fissions per initial metal atom with no in-pile failures. This paper discusses the first post-irradiation test of these mixed uranium oxide/uranium carbide fuel compacts at elevated temperature to examine the fuel performance under a simulated depressurized conduction cooldown event. A compact was heated for 400 h at 1600 degrees C. Release of Kr-85 was monitored throughout the furnace test as an indicator of coating failure, while other fission product releases from the compact were periodically measured by capturing them on exchangeable, water-cooled deposition cups. No coating failure was detected during the furnace test, and this result was verified by subsequent electrolytic deconsolidation and acid leaching of the compact, which showed that all SiC layers were still intact. However, the deposition cups recovered significant quantities of silver, europium, and strontium. Based on comparison of calculated compact inventories at the end of irradiation versus analysis of these fission products released to the deposition cups and furnace internals, the minimum estimated fractional losses from the compact during the furnace test were 1.9 x 10(-2) for silver, 1.4 x 10(-3) for europium, and 1.1 x 10(-5) for strontium. Other post-irradiation examination of AGR-1 compacts indicates that similar fractions of europium and silver may have already been released by the intact coated particles during irradiation, and it is therefore likely that the detected fission products released from the compact in this 1600 degrees C furnace test were from residual fission products in the matrix. Gamma analysis of coated particles deconsolidated from the compact after the heating test revealed that silver content within each particle varied considerably; a result that is probably not related to the furnace test, because it has also been observed in other as-irradiated AGR-1 compacts. X-ray imaging of selected particles was performed to examine the internal microstructure. This examination revealed variable irradiation performance of the coating layers, but sufficient statistical sampling is not yet available to identify any possible correlation to variation in individual particle fission product retention. (C) 2013 Elsevier B.V. All rights reserved. C1 [Baldwin, Charles A.; Hunn, John D.; Morris, Robert N.; Montgomery, Fred C.; Silva, Chinthaka M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Demkowicz, Paul A.] Idaho Natl Lab, Idaho Falls, ID 83414 USA. RP Baldwin, CA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM baldwinca@ornl.gov RI Silva, Chinthaka/E-1416-2017; OI Silva, Chinthaka/0000-0003-4637-6030; Morris, Robert/0000-0001-7192-7733 FU U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant program FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant program. NR 6 TC 8 Z9 8 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 131 EP 141 DI 10.1016/j.nucengdes.2013.11.021 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100022 ER PT J AU Grover, SB Petti, DA AF Grover, S. Blaine Petti, David A. TI Design and status of the NGNP fuel experiment AGR-3/4 irradiated in the advanced test reactor SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB The United States Department of Energy's Next Generation Nuclear Plant (NGNP) advanced gas reactor (AGR) Fuel Development and Qualification Program will be irradiating up to seven separate low enriched uranium (LEU) tri-isotopic (TRISO) particle fuel (in compact form) experiments in the advanced test reactor (ATR) located at the Idaho National Laboratory (INL). These irradiations and fuel development are being accomplished to support development of the next generation reactors in the United States, and will be irradiated over the next several years to demonstrate and qualify new TRISO coated particle fuel for use in high temperature gas reactors. The goals of the irradiation experiments are to provide irradiation performance data to support fuel process development, to qualify fuel for normal operating conditions, to support development and validation of fuel performance and fission product transport models and codes, and to provide irradiated fuel and materials for post irradiation examination (PIE) and safety testing. The experiments, which will each consist of at least six separate capsules, will be irradiated in an inert sweep gas atmosphere with individual on-line temperature monitoring and control of each capsule. The sweep gas will also have on-line fission product monitoring on its effluent to track performance of the fuel in each individual capsule during irradiation. The first experiment (designated AGR-1) started irradiation in December 2006 and was completed in November 2009. The second experiment (AGR-2) started irradiation in June 2010 and is currently scheduled to be completed in April 2013. The third and fourth experiments have been combined into a single experiment designated AGR-3/4, which started its irradiation in December 2011 and is currently scheduled to be completed in November 2013. Since the purpose of this experiment is to provide data on fission product migration and retention in the NGNP reactor, the design of this experiment is significantly different from the first two experiments, though the control and monitoring systems are very similar. The purpose and design of this experiment will be discussed followed by its progress and status to date. (C) 2014 Published by Elsevier B.V. C1 [Grover, S. Blaine; Petti, David A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Grover, SB (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Blaine.Grover@inl.gov FU United States Department of Energy (DOE) under DOE Idaho Field Office [DE-AC07-05ID14517] FX This work was supported by the United States Department of Energy (DOE) under DOE Idaho Field Office Contract Number DE-AC07-05ID14517. NR 3 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 142 EP 148 DI 10.1016/j.nucengdes.2013.11.022 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100023 ER PT J AU van Rooyen, IJ Dunzik-Gougar, ML van Rooyen, PM AF van Rooyen, I. J. Dunzik-Gougar, M. L. van Rooyen, P. M. TI Silver (Ag) transport mechanisms in TRISO coated particles: A critical review SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy ID HTGR FUEL-PARTICLES; SILICON-CARBIDE; NEUTRON-IRRADIATION; DIFFUSION; BEHAVIOR; DAMAGE; TRANSMUTATION; COMPOSITE; REACTORS; RELEASE AB Transport of Ag-110m in the intact SiC layer of TRISO coated particles has been studied for approximately 30 years without arriving at a satisfactory explanation of the transport mechanism. In this paper the possible mechanisms postulated in previous experimental studies, both in-reactor and out-of reactor research environment studies are critically reviewed and of particular interest are relevance to very high temperature gas reactor operating and accident conditions. Among the factors thought to influence Ag transport are grain boundary stoichiometry, SiC grain size and shape, the presence of free silicon, nano-cracks, thermal decomposition, palladium attack, transmutation products, layer thinning and coated particle shape. Additionally new insight to nature and location of fission products has been gained via recent post irradiation electron microscopy examination of TRISO coated particles from the DOE's fuel development program. The combined effect of critical review and new analyses indicates a direction for investigating possible the Ag transport mechanism including the confidence level with which these mechanisms may be experimentally verified. Published by Elsevier B.V. C1 [van Rooyen, I. J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Dunzik-Gougar, M. L.] Idaho State Univ, Dept Nucl Engn, Pocatello, ID 83209 USA. [van Rooyen, P. M.] Philip M van Rooyen Network Consultants, Midlands Estates, South Africa. RP van Rooyen, IJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM isabella.vanrooyen@inl.gov FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was partially supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. This work was also supported by the researchers in their private time. NR 43 TC 7 Z9 7 U1 3 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 180 EP 188 DI 10.1016/j.nucengdes.2013.11.029 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100030 ER PT J AU Pham, BT Hawkes, GL Einerson, JJ AF Pham, Binh T. Hawkes, Grant L. Einerson, Jeffrey J. TI Improving thermal model prediction through statistical analysis of irradiation and post-irradiation data from AGR experiments SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB As part of the High Temperature Reactors (HTR) R&D program, a series of irradiation tests, designated as Advanced Gas-cooled Reactor (AGR), have been defined to support development and qualification of fuel design, fabrication process, and fuel performance under normal operation and accident conditions. The AGR tests employ fuel compacts placed in a graphite cylinder shrouded by a steel capsule and instrumented with thermocouples (TC) embedded in graphite blocks enabling temperature control. While not possible to obtain by direct measurements in the tests, crucial fuel conditions (e.g., temperature, neutron fast fluence, and burnup) are calculated using core physics and thermal modeling codes. This paper is focused on AGR test fuel temperature predicted by the ABAQUS code's finite element-based thermal models. The work follows up on a previous study, in which several statistical analysis methods were adapted, implemented in the NGNP Data Management and Analysis System (NDMAS), and applied for qualification of AGR-1 thermocouple data. Abnormal trends in measured data revealed by the statistical analysis are traced to either measuring instrument deterioration or physical mechanisms in capsules that may have shifted the system thermal response. The main thrust of this work is to exploit the variety of data obtained in irradiation and post-irradiation examination (PIE) for assessment of modeling assumptions. As an example, the uneven reduction of the control gas gap in Capsule 5 found in the capsule metrology measurements in PIE helps identify mechanisms other than TC drift causing the decrease in TC readings. This suggests a more physics-based modification of the thermal model that leads to a better fit with experimental data, thus reducing model uncertainty and increasing confidence in the calculated fuel temperatures of the AGR-1 test. (C) 2013 Elsevier B.V. All rights reserved. C1 [Pham, Binh T.; Einerson, Jeffrey J.] Idaho Natl Lab, Human Factor Controls & Stat Dept, Idaho Falls, ID 83415 USA. [Hawkes, Grant L.] Idaho Natl Lab, Thermal Sci & Safety Anal Dept, Idaho Falls, ID 83415 USA. RP Pham, BT (reprint author), Idaho Natl Lab, Human Factor Controls & Stat Dept, Idaho Falls, ID 83415 USA. EM Binh.Pham@inl.gov OI Hawkes, Grant/0000-0003-3496-8100 FU NGNP VHTR R&D program at INL under the US Department of Energy [DE-AC07-05ID14517] FX This work is supported by NGNP VHTR R&D program at INL under the US Department of Energy contract DE-AC07-05ID14517. NR 11 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 209 EP 216 DI 10.1016/j.nucengdes.2013.11.034 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100035 ER PT J AU Ploger, SA Demkowicz, PA Huhn, JD Kehn, JS AF Ploger, Scott A. Demkowicz, Paul A. Huhn, John D. Kehn, Jay S. TI Microscopic analysis of irradiated AGR-1 coated particle fuel compacts SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB The AGR-1 experiment involved irradiation of 72 TRISO-coated particle fuel compacts to a peak compact-average burnup of 19.5% FIMA with no in-pile failures observed out of 3 x 10(5) total particles. Irradiated AGR-1 fuel compacts have been cross-sectioned and analyzed with optical microscopy to characterize kernel, buffer, and coating behavior. Six compacts have been examined, spanning a range of irradiation conditions (burnup, fast fluence, and irradiation temperature) and including all four TRISO coating variations irradiated in the AGR-1 experiment. The cylindrical specimens were sectioned both transversely and longitudinally, then polished to expose from 36 to 79 individual particles near midplane on each mount. The analysis focused primarily on kernel swelling and porosity, buffer densification and fracturing, buffer-IPyC debonding, and fractures in the IPyC and SiC layers. Characteristic morphologies have been identified, 981 particles have been classified, and spatial distributions of particle types have been mapped. No significant spatial patterns were discovered in these cross sections. However, some trends were found between morphological types and certain behavioral aspects. Buffer fractures were found in 23% of the particles, and these fractures often resulted in unconstrained kernel protrusion into the open cavities. Fractured buffers and buffers that stayed bonded to IPyC layers appear related to larger pore size in kernels. Buffer-IPyC interface integrity evidently factored into initiation of rare IPyC fractures. Fractures through part of the SiC layer were found in only four classified particles, all in conjunction with IPyC-SiC debonding. Compiled results suggest that the deliberate coating fabrication variations influenced the frequencies of IPyC fractures and IPyC-SiC debonds. (C) 2013 Elsevier B.V. All rights reserved. C1 [Ploger, Scott A.; Demkowicz, Paul A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Huhn, John D.; Kehn, Jay S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ploger, SA (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM scott.ploger@inl.gov FU U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant Project FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, under the Next Generation Nuclear Plant Project. NR 9 TC 4 Z9 4 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 221 EP 230 DI 10.1016/j.nucengdes.2013.11.036 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100037 ER PT J AU Scates, DM Walter, JB Maki, JT Sterbentz, JW Parry, JR AF Scates, D. M. Walter, J. B. Maki, J. T. Sterbentz, J. W. Parry, J. R. TI The effect of birthrate granularity on the release-to-birth ratio for the AGR-1 in-core experiment SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB The AGR-1 Advanced Gas Reactor (AGR) tristructural-isotropic-particle fuel experiment underwent 13 irradiation intervals from December 2006 until November 2009 within the Idaho National Laboratory Advanced Test Reactor in support of the Next Generation Nuclear Power Plant program. During this multi-year experiment, release-to-birth rate ratios were computed at the end of each operating interval to provide information about fuel performance. Fission products released during irradiation were tracked daily by the Fission Product Monitoring System using 8-h measurements. Birth rate calculated by MCNP with ORIGEN for as-run conditions were computed at the end of each irradiation interval. Each time step in MCNP provided neutron flux, reaction rates and AGR-1 compact composition, which were used to determine birth rate using ORIGEN. The initial birth-rate data, consisting of four values for each irradiation interval at the beginning, end, and two intermediate times, were interpolated to obtain values for each 8-h activity. The problem with this method is that any daily changes in heat rates or perturbations, such as shim control movement or core/lobe power fluctuations, would not be reflected in the interpolated data and a true picture of the system would not be presented. At the conclusion of the AGR-1 experiment, great efforts were put forth to compute daily birthrates, which were reprocessed with the 8-h release activity. The results of this study are presented in this paper. (C) 2013 Elsevier B.V. All rights reserved. C1 [Scates, D. M.; Walter, J. B.; Maki, J. T.; Sterbentz, J. W.; Parry, J. R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Scates, DM (reprint author), Idaho Natl Lab, 2525 North Fremont Ave, Idaho Falls, ID 83415 USA. EM Dawn.Scates@inl.gov NR 13 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 231 EP 237 DI 10.1016/j.nucengdes.2013.11.037 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100038 ER PT J AU Grover, SB Petti, DA AF Grover, S. Blaine Petti, David A. TI Status of the NGNP fuel experiment AGR-2 irradiated in the advanced test reactor SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB The United States Department of Energy's Next Generation Nuclear Plant (NGNP) Advanced Gas Reactor (AGR) Fuel Development and Qualification Program will be irradiating up to seven separate low enriched uranium (LEU) tri-isotopic (TRISO) particle fuel (in compact form) experiments in the Advanced Test Reactor (ATR) located at the Idaho National Laboratory (INL). These irradiations and fuel development are being accomplished to support development of the next generation reactors in the United States, and will be irradiated over the next several years to demonstrate and qualify new TRISO coated particle fuel for use in high temperature gas reactors. The goals of the irradiation experiments are to provide irradiation performance data to support fuel process development, to qualify fuel for normal operating conditions, to support development and validation of fuel performance and fission product transport models and codes, and to provide irradiated fuel and materials for post irradiation examination (PIE) and safety testing. The experiments, which will each consist of at least six separate capsules, will be irradiated in an inert sweep gas atmosphere with individual on-line temperature monitoring and control of each capsule. The sweep gas will also undergo on-line fission product monitoring to track performance of the fuel in each individual capsule during irradiation. The first experiment (designated AGR-1) started irradiation in December 2006 and was completed in November 2009. The second experiment (AGR-2), which utilized the same experiment design as well as control and monitoring systems as AGR-1, started irradiation in June 2010 and is currently scheduled to be completed in April 2013. The design of this experiment and support systems will be briefly discussed, followed by the progress and status of the experiment to date. (C) 2014 Published by Elsevier B.V. C1 [Grover, S. Blaine; Petti, David A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Grover, SB (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Blaine.Grover@inl.gov FU United States Department of Energy (DOE) under DOE Idaho Field Office [DE-AC07-05ID14517] FX This work was supported by the United States Department of Energy (DOE) under DOE Idaho Field Office Contract Number DE-AC07-05ID14517. NR 4 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 238 EP 243 DI 10.1016/j.nucengdes.2013.11.038 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100039 ER PT J AU Burchell, TD Strizak, JP AF Burchell, T. D. Strizak, J. P. TI The effect of neutron irradiation on the fracture toughness of graphite SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB As a part of our irradiated graphite recycle program a small quantity of PCEA grade graphite was irradiated in the High Flux Isotope Reactor (HFIR) at ORNL. The graphite will provide the "raw material" for future recycle experiments. The geometry of the irradiated graphite allowed us to study the effects of neutron irradiation on the critical stress intensity factor, K-IC, of graphite. The specimens were irradiated in two groups of 6 at an irradiation temperature of 900 degrees C in "rabbit" capsules to doses of 6.6 and 10.2 dpa, respectively. Following a full suite of pre- and post-irradiation examination, which included dimensions, mass, electrical resistivity, elastic constants, and thermal expansion (to 800 degrees C) the samples were notched and tested to determine their K-IC using the newly approved ATSM test method for SENS fracture toughness of graphite. Here we report the irradiation induced changes in the dimensions, elastic constants, resistivity, and coefficient of thermal expansion of PCEA graphite. Moreover, irradiation induced changes in the critical stress intensity factor, K-IC or fracture toughness, are reported and discussed. Very little work on the effect of neutron irradiation on the fracture toughness of graphite has previously be performed or reported. Published by Elsevier B.V. C1 [Burchell, T. D.; Strizak, J. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Burchell, TD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM burchelltd@ornl.gov RI Burchell, Tim/E-6566-2017 OI Burchell, Tim/0000-0003-1436-1192 FU U.S. Department of Energy, Office of Nuclear Energy Science and Technology [DE-AC05-00OR22725]; Oak Ridge National Laboratories; U.S Department of Energy FX This work is sponsored by the U.S. Department of Energy, Office of Nuclear Energy Science and Technology under contact DE-AC05-00OR22725 with Oak Ridge National Laboratories managed by UT-Battelle, LLC. The author wishes to acknowledge the technical assistance of Ashli Clark, Daniel Lewis, Becky Johnson, and Marie Williams. Use of the High Flux Isotope Reactor at the Oak Ridge National Laboratory was supported by the U.S Department of Energy. NR 12 TC 3 Z9 3 U1 1 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 262 EP 269 DI 10.1016/j.nucengdes.2013.11.046 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100044 ER PT J AU Grover, SB AF Grover, S. Blaine TI Status of the NGNP graphite creep experiments AGC-1 and AGC-2 irradiated in the advanced test reactor SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 6th International Topical Meeting on High Temperature Reactor Technology (HTR 2012) CY OCT 28-NOV 01, 2012 CL Japan Atom Energy Agcy, Tokyo, JAPAN SP Soc Chem Engineers, Japan Soc Mech Engineers, Div Energy Engn, Atom Energy Soc Japan, Power & Energy Syst Div, Japan Atom Energy Commiss, Computat Sci & Engn Div, Minist Educ, Culture, Sports, Sci & Technol, Minist Econ, Trade & Ind HO Japan Atom Energy Agcy AB The United States Department of Energy's Next Generation Nuclear Plant (NGNP) Program will be irradiating six nuclear graphite creep experiments in the Advanced Test Reactor (ATR) located at the Idaho National Laboratory (INL). The graphite experiments will be irradiated over the next six to eight years to support development of a graphite irradiation performance data base on the new nuclear grade graphites now available for use in high temperature gas reactors. The goals of the irradiation experiments are to obtain irradiation performance data, including irradiation creep, at different temperatures and loading conditions to support design of the next generation nuclear plant (NGNP) very high temperature gas reactor, as well as other future gas reactors. The experiments will each consist of a single capsule that will contain six peripheral stacks of graphite specimens, with half of the graphite specimens in each stack under a compressive load, while the other half of the specimens will not be subjected to a compressive load during irradiation. The six peripheral stacks will have three different compressive loads applied to the top half of three diametrically opposite pairs of specimen stacks, while a seventh stack will not have a compressive load. The specimens will be irradiated in an inert sweep gas atmosphere with on-line temperature and compressive load monitoring and control. There will also be sampling the sweep gas effluent to determine if any oxidation or off-gassing of the specimens occurs during irradiation of the experiment. (C) 2014 Published by Elsevier B.V. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Grover, SB (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Blaine.Grover@inl.gov FU United States Department of Energy (DOE) under DOE Idaho Field Office [DE-AC07-05ID14517] FX This work was supported by the United States Department of Energy (DOE) under DOE Idaho Field Office Contract Number DE-AC07-05ID14517. NR 2 TC 1 Z9 1 U1 1 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2014 VL 271 SI SI BP 275 EP 282 DI 10.1016/j.nucengdes.2013.11.048 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7XG UT WOS:000336348100046 ER PT J AU Franceschini, F Oelrich, B Gehin, J AF Franceschini, Fausto Oelrich, Bob, Jr. Gehin, Jess TI Simulation of AP1000 first core with VERA SO NUCLEAR ENGINEERING INTERNATIONAL LA English DT Article C1 [Franceschini, Fausto; Oelrich, Bob, Jr.] Westinghouse Elect Co, Pittsburgh, PA 15230 USA. [Gehin, Jess] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Franceschini, F (reprint author), Westinghouse Elect Co, Pittsburgh, PA 15230 USA. OI Gehin, Jess/0000-0001-8337-9551 NR 0 TC 0 Z9 0 U1 0 U2 5 PU WILMINGTON PUBL PI SIDCUP PA WILMINGTON HOUSE, MAIDSTONE RD, FOOTS CRAY, SIDCUP DA14 SHZ, KENT, ENGLAND SN 0029-5507 J9 NUCL ENG INT JI Nucl. Eng. Int. PD MAY PY 2014 VL 59 IS 718 BP 33 EP 35 PG 3 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7UG UT WOS:000336340200009 ER PT J AU Panday, R Shadle, LJ Shahnam, M Cocco, R Issangya, A Spenik, JS Ludlow, JC Gopalan, B Shaffer, F Syamlal, M Guenther, C Karri, SBR Knowlton, T AF Panday, Rupen Shadle, Lawrence J. Shahnam, Mehrdad Cocco, Ray Issangya, Allan Spenik, James S. Ludlow, J. Christopher Gopalan, Balaji Shaffer, Franklin Syamlal, Madhava Guenther, Chris Karri, S. B. Reddy Knowlton, Ted TI Challenge problem: 1. Model validation of circulating fluidized beds SO POWDER TECHNOLOGY LA English DT Article DE Fluidization; Transport Regime; Computational fluid dynamic modeling; Hydrodynamics; Gas-solids flow; Model validation ID FLOW; DENSE; VELOCITY; RISER; FLUX AB The National Energy Technology Laboratory (NETL) worked with Particulate Solids Research Inc. (PSRI) to conduct the third CFD Challenge Problem in granular fluid flow to evaluate the progress and state of the art in simulating gas solids flow in a circulating fluidized bed. Both Group A and B particles were tested at several gas velocities and solids circulation rates. For both particle groups pressures and particle velocities were measured within the riser. For the Group B cases local radial solids fluxes and high speed pressure fluctuations were measured. Model predictions were compared against these experimental results and vetted in the workshop at the Circulating Fluid Bed X. The modelers were given detailed descriptions of the experimental facilities as well as physical property and small scale fluidization data on the different bed materials tested. Two general types of modeling simulations were submitted: Eulerian-Eulerian and Eulerian-Lagrangian. Both types of model had successes and failures indicating that good results are strongly influenced by resources such as available time, computational facilities, and experience level of the modeler. By comparing the predicted behavior the strengths and weaknesses associated with the different modeling approaches were identified and shortcomings could be targeted for future development and improvements. Published by Elsevier B.V. C1 [Panday, Rupen; Shadle, Lawrence J.; Shahnam, Mehrdad; Spenik, James S.; Ludlow, J. Christopher; Gopalan, Balaji; Shaffer, Franklin; Syamlal, Madhava; Guenther, Chris] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Panday, Rupen; Spenik, James S.] REM Engn Serv PLLC, Morgantown, WV USA. RP Shadle, LJ (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM lshadl@neti.doe.gov OI Shadle, Lawrence/0000-0002-6283-3628 NR 39 TC 8 Z9 8 U1 3 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0032-5910 EI 1873-328X J9 POWDER TECHNOL JI Powder Technol. PD MAY PY 2014 VL 258 BP 370 EP 391 DI 10.1016/j.powtec.2014.02.010 PG 22 WC Engineering, Chemical SC Engineering GA AH4PL UT WOS:000336110400041 ER PT J AU Lei, DS Tong, HM Zhang, L Zhang, X Zhang, SL Ren, G AF Lei Dongsheng Tong Huimin Zhang Lei Zhang Xing Zhang Shengli Ren Gang TI Structure and Function of Cholesteryl Ester Transfer Protein in Transferring Cholesteryl Ester SO PROGRESS IN CHEMISTRY LA Chinese DT Review DE cholesteryl ester; cholesteryl ester transfer protein; lipoprotein; transmission electron microscopy; molecular dynamics simulation; structural flexibility; tunnel model ID HIGH-DENSITY-LIPOPROTEINS; NEGATIVE-STAINING PROTOCOL; LIPID TRANSFER PROTEIN; ELECTRON-MICROSCOPY; PLASMA-LIPOPROTEINS; MOLECULAR-DYNAMICS; APOLIPOPHORIN-III; HEART-DISEASE; AMINO-ACIDS; CETP AB Cardiovascular diseases (CVDs) are the leading cause of death worldwide. Human cholesteryl esters (CEs) are naturally transferred from atheroprotective high-density lipoproteins (HDLs) to atherogenic low-density lipoproteins (LDLs) and very low-density lipoproteins (VLDLs) by cholesteryl ester transfer protein (CETP), resulting in a higher probability of CVDs. Finding out the mechanism of CETP in CE transport is an important basis for designing new CETP inhibitors for treating CVDs. This review is focused on the recent studies of CETP structure and interactions with lipoproteins. Transmission electron microscopy (TEM) studies showed that CETP not only can bind to HDL, LDL and VLDL into binary complexes, respectively, but also connects HDL and LDL or VLDL into a ternary complex via penetrating into the HDL core with its N-terminal domain and the LDL or VLDL surface with its C-terminal domain. Molecular dynamics simulations suggested that the penetrated distal ends are highly flexible under physiological conditions and when CETP contacts lipid droplets. This flexibility allows for large-scale conformational changes, and can even open pores in the distal ends. These pores and the original hydrophobic cavities within the CETP crystal structure are generally stable in physiological solution, and can even connect together into a continuous tunnel for CE transfer. Based on above results, scientists introduced and discussed the "tunnel" model for CETP-mediated lipid transfer in detail, and further suggested new interfaces of CETP for being targeted by a new generation CETP inhibitors to treat CVDs. C1 [Lei Dongsheng; Zhang Xing; Zhang Shengli] Xi An Jiao Tong Univ, Dept Appl Phys, Xian 710049, Peoples R China. [Lei Dongsheng; Tong Huimin; Zhang Lei; Zhang Xing; Ren Gang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Zhang, SL (reprint author), Xi An Jiao Tong Univ, Dept Appl Phys, Xian 710049, Peoples R China. EM zhangsl@mail.xjtu.edu.cn; gren@lbl.gov RI Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X FU Basic Energy Sciences-US Department of Energy [DE-AC02-05CH11231]; US National Institutes of Health [NHLBI 1R01HL115153]; National Natural Science Foundation of China [11074196, 11374237] FX The work was supported by Basic Energy Sciences-US Department of Energy (DE-AC02-05CH11231), US National Institutes of Health (NHLBI 1R01HL115153) and the National Natural Science Foundation of China(No. 11074196, 11374237) NR 57 TC 0 Z9 0 U1 5 U2 19 PU CHINESE ACAD SCIENCES PI BEIJING PA NO. 33 BEISIHUANXILU, ZHONGGUANCUN, BEIJING 100080, PEOPLES R CHINA SN 1005-281X J9 PROG CHEM JI Prog. Chem. PD MAY PY 2014 VL 26 IS 5 BP 879 EP 888 DI 10.7536/PC131028 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA AI0SM UT WOS:000336560200016 ER PT J AU Cao, Z Bowie, JU AF Cao, Zheng Bowie, James U. TI An energetic scale for equilibrium H/D fractionation factors illuminates hydrogen bond free energies in proteins SO PROTEIN SCIENCE LA English DT Article DE dynamics; backbone hydrogen bond; enzyme; hydrogen bond strength; isotope effect ID CONFORMATIONAL STABILITY; LAMBDA-REPRESSOR; EXCHANGE-RATES; NMR; COMPLEXES; ISOMERASE; NETWORK; HELIX; WATER AB Equilibrium H/D fractionation factors have been extensively employed to qualitatively assess hydrogen bond strengths in protein structure, enzyme active sites, and DNA. It remains unclear how fractionation factors correlate with hydrogen bond free energies, however. Here we develop an empirical relationship between fractionation factors and free energy, allowing for the simple and quantitative measurement of hydrogen bond free energies. Applying our empirical relationship to prior fractionation factor studies in proteins, we find: [1] Within the folded state, backbone hydrogen bonds are only marginally stronger on average in -helices compared to -sheets by approximate to 0.2 kcal/mol. [2] Charge-stabilized hydrogen bonds are stronger than neutral hydrogen bonds by approximate to 2 kcal/mol on average, and can be as strong as -7 kcal/mol. [3] Changes in a few hydrogen bonds during an enzyme catalytic cycle can stabilize an intermediate state by -4.2 kcal/mol. [4] Backbone hydrogen bonds can make a large overall contribution to the energetics of conformational changes, possibly playing an important role in directing conformational changes. [5] Backbone hydrogen bonding becomes more uniform overall upon ligand binding, which may facilitate participation of the entire protein structure in events at the active site. Our energetic scale provides a simple method for further exploration of hydrogen bond free energies. C1 Univ Calif Los Angeles, Dept Chem & Biochem, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. RP Bowie, JU (reprint author), Univ Calif Los Angeles, 611 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM bowie@mbi.ucla.edu OI Cao, Zheng/0000-0002-9147-5540 FU NIH [RO1 GM063919]; NSF [CHE-1048804] FX This work was supported by NIH grant RO1 GM063919 and NSF equipment grant CHE-1048804. NR 45 TC 3 Z9 3 U1 3 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD MAY PY 2014 VL 23 IS 5 BP 566 EP 575 DI 10.1002/pro.2435 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AF3DU UT WOS:000334592500006 PM 24501090 ER PT J AU Korman, TP Sahachartsiri, B Li, D Vinokur, JM Eisenberg, D Bowie, JU AF Korman, Tyler P. Sahachartsiri, Bobby Li, Dan Vinokur, Jeffrey M. Eisenberg, David Bowie, James U. TI A synthetic biochemistry system for the in vitro production of isoprene from glycolysis intermediates SO PROTEIN SCIENCE LA English DT Article DE isoprenoids; biofuel; metabolic engineering; green chemistry; commodity chemicals; in vitro synthesis ID PYRUVATE-DEHYDROGENASE COMPLEX; CELL-FREE BIOSYSTEMS; ESCHERICHIA-COLI; MEVALONATE PATHWAY; BACILLUS-STEAROTHERMOPHILUS; ISOPENTENYL DIPHOSPHATE; ETHANOL-PRODUCTION; COENZYME-A; BIOLOGY; BIOSYNTHESIS AB The high yields required for the economical production of chemicals and fuels using microbes can be difficult to achieve due to the complexities of cellular metabolism. An alternative to performing biochemical transformations in microbes is to build biochemical pathways in vitro, an approach we call synthetic biochemistry. Here we test whether the full mevalonate pathway can be reconstituted in vitro and used to produce the commodity chemical isoprene. We construct an in vitro synthetic biochemical pathway that uses the carbon and ATP produced from the glycolysis intermediate phosphoenolpyruvate to run the mevalonate pathway. The system involves 12 enzymes to perform the complex transformation, while providing and balancing the ATP, NADPH, and acetyl-CoA cofactors. The optimized system produces isoprene from phosphoenolpyruvate in approximate to 100% molar yield. Thus, by inserting the isoprene pathway into previously developed glycolysis modules it may be possible to produce isoprene and other acetyl-CoA derived isoprenoids from glucose in vitro. C1 [Korman, Tyler P.; Sahachartsiri, Bobby; Li, Dan; Vinokur, Jeffrey M.; Eisenberg, David; Bowie, James U.] Univ Calif Los Angeles, Dept Chem & Biochem, UCLA DOE Inst Genom & Prote, Inst Mol Biol, Los Angeles, CA 90095 USA. RP Bowie, JU (reprint author), Univ Calif Los Angeles, Boyer Hall,611 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM bowie@mbi.ucla.edu NR 46 TC 15 Z9 15 U1 5 U2 44 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD MAY PY 2014 VL 23 IS 5 BP 576 EP 585 DI 10.1002/pro.2436 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AF3DU UT WOS:000334592500007 PM 24623472 ER PT J AU Pasa-Tolic, L Masselon, C AF Pasa-Tolic, Ljiljana Masselon, Christophe TI Shining a spotlight on intact proteins SO PROTEOMICS LA English DT Editorial Material C1 [Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Masselon, Christophe] CEA Grenoble, IRTSV, F-38054 Grenoble, France. RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. NR 18 TC 0 Z9 0 U1 3 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD MAY PY 2014 VL 14 IS 10 BP 1125 EP 1127 DI 10.1002/pmic.201470073 PG 3 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH0EJ UT WOS:000335791600001 ER PT J AU Dang, XB Scotcher, J Wu, S Chu, RK Tolic, N Ntai, I Thomas, PM Fellers, RT Early, BP Zheng, YP Durbin, KR LeDuc, RD Wolff, JJ Thompson, CJ Pan, JX Han, J Shaw, JB Salisbury, JP Easterling, M Borchers, CH Brodbelt, JS Agar, JN Pasa-Tolic, L Kelleher, NL Young, NL AF Dang, Xibei Scotcher, Jenna Wu, Si Chu, Rosalie K. Tolic, Nikola Ntai, Ioanna Thomas, Paul M. Fellers, Ryan T. Early, Bryan P. Zheng, Yupeng Durbin, Kenneth R. LeDuc, Richard D. Wolff, Jeremy J. Thompson, Christopher J. Pan, Jingxi Han, Jun Shaw, Jared B. Salisbury, Joseph P. Easterling, Michael Borchers, Christoph H. Brodbelt, Jennifer S. Agar, Jeffery N. Pasa-Tolic, Ljiljana Kelleher, Neil L. Young, Nicolas L. TI The first pilot project of the consortium for top-down proteomics: A status report SO PROTEOMICS LA English DT Article DE Human histone H4; PTM analysis; Technology; Top-down proteomics ID HUMAN HISTONE H4; MASS-SPECTROMETRY; DISCOVERY; PROTEINS; ISOFORMS AB Pilot Project #1the identification and characterization of human histone H4 proteoforms by top-down MSis the first project launched by the Consortium for Top-Down Proteomics (CTDP) to refine and validate top-down MS. Within the initial results from seven participating laboratories, all reported the probability-based identification of human histone H4 (UniProt accession P62805) with expectation values ranging from 10(-13) to 10(-105). Regarding characterization, a total of 74 proteoforms were reported, with 21 done so unambiguously; one new PTM, K79ac, was identified. Inter-laboratory comparison reveals aspects of the results that are consistent, such as the localization of individual PTMs and binary combinations, while other aspects are more variable, such as the accurate characterization of low-abundance proteoforms harboring >2 PTMs. An open-access tool and discussion of proteoform scoring are included, along with a description of general challenges that lie ahead including improved proteoform separations prior to mass spectrometric analysis, better instrumentation performance, and software development. C1 [Dang, Xibei; Scotcher, Jenna; Young, Nicolas L.] Florida State Univ, Natl High Magnet Field Lab, Ion Cyclotron Resonance Program, Tallahassee, FL 32310 USA. [Dang, Xibei] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32310 USA. [Wu, Si; Chu, Rosalie K.; Tolic, Nikola; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Ntai, Ioanna; Thomas, Paul M.; Fellers, Ryan T.; Early, Bryan P.; Zheng, Yupeng; Durbin, Kenneth R.; Kelleher, Neil L.] Northwestern Univ, Dept Chem, Evanston, IL USA. [Ntai, Ioanna; Thomas, Paul M.; Fellers, Ryan T.; Early, Bryan P.; Zheng, Yupeng; Durbin, Kenneth R.; Kelleher, Neil L.] Northwestern Univ, Dept Mol Biosci, Evanston, IL USA. [Ntai, Ioanna; Thomas, Paul M.; Fellers, Ryan T.; Early, Bryan P.; Zheng, Yupeng; Durbin, Kenneth R.; Kelleher, Neil L.] Northwestern Univ, Prote Ctr Excellence, Evanston, IL USA. [LeDuc, Richard D.] Washington Univ, NIH NCRR Mass Spectrometry Resource, St Louis, MO USA. [Wolff, Jeremy J.; Thompson, Christopher J.; Easterling, Michael] Bruker Daltonics Inc, Billerica, MA USA. [Pan, Jingxi; Han, Jun; Borchers, Christoph H.] Univ Victoria, Dept Biochem & Microbiol, UVic Genome BC Prote Ctr, Victoria, BC, Canada. [Shaw, Jared B.; Brodbelt, Jennifer S.] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA. [Salisbury, Joseph P.; Agar, Jeffery N.] Northeastern Univ, Barnett Inst, Dept Chem, Boston, MA 02115 USA. [Salisbury, Joseph P.; Agar, Jeffery N.] Northeastern Univ, Barnett Inst, Dept Pharm Sci, Boston, MA 02115 USA. RP Young, NL (reprint author), Florida State Univ, Natl High Magnet Field Lab, Ion Cyclotron Resonance Program, 1800 E Paul Dirac Dr, Tallahassee, FL 32310 USA. EM nyoung@magnet.fsu.edu RI Thomas, Paul/A-6233-2011; Ntai, Ioanna/G-2697-2012; OI Thomas, Paul/0000-0003-2887-4765; Young, Nicolas/0000-0002-3323-2815 FU NIH [R01GM067193, 1R01NS065263]; NSF [CHE-1012622, ABI-1062432, DMR-11-57490]; Welch Foundation [F-1155]; Genome BC for Science and Technology Innovation Centre; Department of Energy's Office of Biological and Environmental Research FX Funding is gratefully acknowledged from NIH (R01GM067193, 1R01NS065263), NSF (CHE-1012622, JSB; ABI-1062432, RDL; DMR-11-57490), and the Welch Foundation (F-1155, JSB). The authors at the University of Victoria - Genome BC Proteomics Centre would like to thank Genome Canada and Genome BC for Science and Technology Innovation Centre funding and the Western Economic Diversification of Canada for platform support. A portion of this research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The authors would also like to thank Northwestern University and the State of Florida. NR 14 TC 28 Z9 28 U1 5 U2 24 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD MAY PY 2014 VL 14 IS 10 BP 1130 EP 1140 DI 10.1002/pmic.201300438 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH0EJ UT WOS:000335791600003 PM 24644084 ER PT J AU Wu, S Brown, JN Tolic, N Meng, D Liu, XW Zhang, HZ Zhao, R Moore, RJ Pevzner, P Smith, RD Pasa-Tolic, L AF Wu, Si Brown, Joseph N. Tolic, Nikola Meng, Da Liu, Xiaowen Zhang, Haizhen Zhao, Rui Moore, Ronald J. Pevzner, Pavel Smith, Richard D. Pasa-Tolic, Ljiljana TI UQuantitative analysis of human salivary gland-derived intact proteome using top-down mass spectrometry SO PROTEOMICS LA English DT Article DE AMT; FT-ICR; FTMS; Saliva; Technology; Top-down ID UNIQUE SEQUENCE TAGS; BOTTOM-UP STRATEGY; POSTTRANSLATIONAL MODIFICATIONS; BREAST-CARCINOMA; ORAL-CAVITY; IDENTIFICATION; PROTEINS; PEPTIDES; POLYMORPHISMS; DIAGNOSTICS AB There are several notable challenges inherent for fully characterizing the entirety of the human saliva proteome using bottom-up approaches, including polymorphic isoforms, PTMs, unique splice variants, deletions, and truncations. To address these challenges, we have developed a top-down based LC-MS/MS approach, which cataloged 20 major human salivary proteins with a total of 83 proteoforms, containing a broad range of PTMs. Among these proteins, several previously reported disease biomarker proteins were identified at the intact protein level, such as beta-2 microglobulin. In addition, intact glycosylated proteoforms of several saliva proteins were also characterized, including intact N-glycosylated protein prolactin inducible protein and O-glycosylated acidic protein rich protein. These characterized proteoforms constitute an intact saliva proteoform database, which was used for quantitative comparison of intact salivary proteoforms among six healthy individuals. Human parotid and submandibular/sublingual gland secretion samples (2 g of protein each) from six healthy individuals were compared using RPLC coupled with the 12T FT-ICR mass spectrometer. Significantly different proteoform profiles were resolved with high reproducibility between parotid secretion and submandibular/sublingual glands. The results from this study provide further insight into the potential mechanisms of PTM pathways in oral glandular secretion, expanding our knowledge of this complex yet easily accessible fluid. Intact protein LC-MS approach presented herein can potentially be applied for rapid and accurate identification of biomarkers from only a few microliters of human glandular saliva. C1 [Wu, Si; Tolic, Nikola; Zhang, Haizhen; Zhao, Rui; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Brown, Joseph N.; Moore, Ronald J.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Meng, Da] Pacific NW Natl Lab, Computat Math Div, Richland, WA 99352 USA. [Liu, Xiaowen] Indiana Univ Purdue Univ, Dept BioHlth Informat, Indianapolis, IN 46202 USA. [Pevzner, Pavel] Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA. RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999 MS K8-98, Richland, WA 99352 USA. EM ljiljana.pasatolic@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU U.S. Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-76RLO-1830]; U.S. Department of Energy (DOE) Office of Biological and Environmental Research; NIH Institute of General Medical Sciences [P41 GM 103493-11] FX This research was performed in the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RLO-1830. Portions of this work were supported by funds from EMSL intramural research projects and EMSL capability development projects the U.S. Department of Energy (DOE) Office of Biological and Environmental Research, and the NIH Institute of General Medical Sciences (P41 GM 103493-11). We would also like to thank Susan Fisher and Penelope Drake at University of California San Francisco for graciously supplying the saliva samples for this analysis. NR 45 TC 14 Z9 14 U1 3 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD MAY PY 2014 VL 14 IS 10 BP 1211 EP 1222 DI 10.1002/pmic.201300378 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH0EJ UT WOS:000335791600011 PM 24591407 ER PT J AU Dekker, L Wu, S Vanduijn, M Tolic, N Stingl, C Zhao, R Luider, T Pasa-Tolic, L AF Dekker, Lennard Wu, Si Vanduijn, Martijn Tolic, Nikolai Stingl, Christoph Zhao, Rui Luider, Theo Pasa-Tolic, Ljiljana TI An integrated top-down and bottom-up proteomic approach to characterize the antigen-binding fragment of antibodies SO PROTEOMICS LA English DT Article DE Antibodies; Bottom-up; MS; Sequencing; Technology; Top-down ID INTACT MONOCLONAL-ANTIBODY; MASS-SPECTROMETRY; ELECTRON-TRANSFER; NANOELECTROSPRAY IONIZATION; STRUCTURAL-ANALYSIS; PROTEIN ISOFORMS; IDENTIFICATION; DISCOVERY; CLONING; ONLINE AB We have previously shown that different individuals exposed to the same antigen produce antibodies with identical mutations in their complementarity determining regions (CDR), suggesting that CDR tryptic peptides can serve as biomarkers for disease diagnosis and prognosis. Complete Fabs derived from disease specific antibodies have even higher potential; they could potentially be used for disease treatment and are required to identify the antigens toward which the antibodies are directed. However, complete Fab sequence characterization via LC-MS analysis of tryptic peptides (i.e. bottom-up) has proven to be impractical for mixtures of antibodies. To tackle this challenge, we have developed an integrated bottom-up and top-down MS approach, employing 2D chromatography coupled with Fourier transform mass spectrometry (FTMS), and applied this approach for full characterization of the variable parts of two pharmaceutical monoclonal antibodies with sensitivity comparable to the bottom-up standard. These efforts represent an essential step toward the identification of disease specific antibodies in patient samples with potentially significant clinical impact. C1 [Dekker, Lennard; Vanduijn, Martijn; Stingl, Christoph; Luider, Theo] Erasmus MC, Dept Neurol, NL-3000 CA Rotterdam, Netherlands. [Wu, Si; Tolic, Nikolai; Zhao, Rui; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA USA. RP Dekker, L (reprint author), Erasmus MC, Dept Neurol, Lab Neurooncol & Clin & Canc Prote, POB 2040, NL-3000 CA Rotterdam, Netherlands. EM l.dekker@erasmusmc.nl OI van Duijn, Martijn/0000-0002-6654-994X FU Netherlands Organization for Scientific Research (NWO), Zenith grant [93511034]; U.S. Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-76RLO-1830] FX The authors acknowledge the financial support from the Netherlands Organization for Scientific Research (NWO), Zenith grant 93511034. Portion of this research was performed in the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RLO-1830. The authors also wish to thank Drs Xiaowen Liu and Pavel Pevzner for providing data analysis software MSAlign+ and assisting with data analysis. NR 38 TC 9 Z9 10 U1 4 U2 18 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD MAY PY 2014 VL 14 IS 10 BP 1239 EP 1248 DI 10.1002/pmic.201300366 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH0EJ UT WOS:000335791600014 PM 24634104 ER PT J AU Tang, W Nguyen, BM Chen, RJ Dayeh, SA AF Tang, Wei Binh-Minh Nguyen Chen, Renjie Dayeh, Shadi A. TI Solid-state reaction of nickel silicide and germanide contacts to semiconductor nanochannels SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Article DE nanowire; contact; silicide; germanide; in situ TEM ID FIELD-EFFECT TRANSISTORS; NANOWIRE HETEROSTRUCTURES; SI NANOWIRES; PHASE; NUCLEATION; GROWTH; GE/SI; TRANSITION; INTERFACES; DIFFUSION AB The surge in advancing the materials science of solid-state reactions for nanoscale contacts to advanced semiconductor devices necessitates a comprehensive dissemination and discussion on recent progress. The objective of this work is to review the notable developments in compound and alloy contact formation to nanoscale nanowire channels made of germanium, silicon, and their heterostructures, and to develop a unifying framework for understanding the significantly distinct reaction behaviors from those commonly observed in bulk. The Ni-based compound and alloy contacts are used as a platform to highlight the size-relevant, thermodynamic, and kinetic differences, and their key material, reaction, and electronic parameters and properties are summarized. Special attention is given to the interplay between the compound/alloy contact structure and the resultant electronic properties. C1 [Tang, Wei] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90024 USA. [Tang, Wei; Binh-Minh Nguyen] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Binh-Minh Nguyen; Chen, Renjie; Dayeh, Shadi A.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. RP Tang, W (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90024 USA. EM sdayeh@eng.ucsd.edu RI Tang, Wei/A-6917-2015; Chen, Renjie/B-5639-2017 OI Tang, Wei/0000-0001-6113-7201; Chen, Renjie/0000-0002-3145-6882 FU National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396]; Laboratory Directed Research and Development (LDRD) funds; faculty start-up fund at UC, San Diego FX The authors are grateful to numerous discussions and contributions of several colleagues including Professors King-Ning Tu, S S Lau, S T Picraux, Edward T Yu and to the contributions of Drs Yang Liu and Xiaohua Liu. The authors are also grateful for the support of staff members at the Integrated Laboratory at the Center for Integrated Nanotechnologies at Sandia National Laboratories and Los Alamos National Laboratory, and the staff members at the nano3 facilities at the Qulacomm Institute at the University of California, San Diego. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract no. DE-AC52-06NA25396 and was supported by Laboratory Directed Research and Development (LDRD) funds and a faculty start-up fund at UC, San Diego. NR 73 TC 6 Z9 6 U1 4 U2 41 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 EI 1361-6641 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD MAY PY 2014 VL 29 IS 5 AR 054004 DI 10.1088/0268-1242/29/5/054004 PG 18 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA AH5KL UT WOS:000336167700007 ER PT J AU Kim, H Cha, K Fthenakis, VM Sinha, P Hur, T AF Kim, Hyoungseok Cha, Kyounghoon Fthenakis, Vasilis M. Sinha, Parikhit Hur, Tak TI Life cycle assessment of cadmium telluride photovoltaic (CdTe PV) systems SO SOLAR ENERGY LA English DT Article DE Life cycle assessment (LCA); Cadmium telluride photovoltaic system (CdTe PV systems); Energy payback time (EPBT); CO2 payback time (CO2PBT) ID ENERGY PAYBACK; SUBSTANCE FLOW AB In this study, the environmental loads of 100 kWp cadmium telluride photovoltaic (CdTe PV) power generation systems in Malaysia are analyzed using life cycle assessment. The target renewable energy system is made up of CdTe PV panel, a power conditioning system and a balance of system. Life-cycle environmental issues were analyzed using major indicators like global warming potential, fossil fuel consumption, energy payback time, and CO2 payback time. Then, the results were compared with those of alternative PV systems such as single- and multi-crystalline silicon photovoltaics. The CdTe PV systems presently have a GWP of 15.1 g CO2 equivalent/kW h in Malaysia. The CdTe PV panel is the greatest contributor to global warming potential in the system, accounting for 47.8%. Electricity used in the semiconductor deposition process is the major contributor of GWP in CdTe PV panel. Total fossil fuel consumption is 0.221 MJ/kW h. The CdTe PV panel accounts for 49.3% of the total fossil fuel consumption. Energy payback time and CO2 payback time are 0.94 years and 0.76 years, respectively, and those are relatively short periods compared with other PV power plants. The energy return on investment of the CdTe PV system was found to be superior to other Si-based PV systems. (C) 2014 Published by Elsevier Ltd. C1 [Kim, Hyoungseok; Hur, Tak] Konkuk Univ, Dept Mat Chem & Engn, Seoul, South Korea. [Cha, Kyounghoon] SMaRT EGO Corp, Dept Green Business, Seoul, South Korea. [Fthenakis, Vasilis M.] Brookhaven Natl Lab, Natl PV EH&S Res Ctr, Uptown, NY USA. [Sinha, Parikhit] First Solar Inc, Environm Hlth & Safety, Tempe, AZ USA. RP Hur, T (reprint author), Konkuk Univ, Dept Mat Chem & Engn, 120 Neungdong Ro, Seoul, South Korea. EM hskim8443@naver.com; khcha0527@gmail.com; fthenakis@bnl.gov; Parikhit.Sinha@firstso-lar.com; takhur@konkuk.ac.kr FU Brookhaven National Laboratory in the United States; Korea Minister of Ministry of Land, Infrastructure, and Transport as U-City Master and Doctor Course Grant Program FX This study is supported by Brookhaven National Laboratory in the United States. This work is financially supported by Korea Minister of Ministry of Land, Infrastructure, and Transport as U-City Master and Doctor Course Grant Program. NR 25 TC 18 Z9 18 U1 3 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2014 VL 103 BP 78 EP 88 DI 10.1016/j.solener.2014.02.008 PG 11 WC Energy & Fuels SC Energy & Fuels GA AH7YR UT WOS:000336351800008 ER PT J AU McConohy, G Kruizenga, A AF McConohy, Geoff Kruizenga, Alan TI Molten nitrate salts at 600 and 680 degrees C: Thermophysical property changes and corrosion of high-temperature nickel alloys SO SOLAR ENERGY LA English DT Article DE Nitrate salts; Corrosion; Nickel alloys; Concentrated solar ID STAINLESS-STEELS; MIXTURES; PLANTS AB This paper examines the effects of long-term, high-temperature corrosion processes on materials used in concentrated solar power tower systems. More specifically, the heat transfer fluid and the containment metal are examined at operating temperatures of 600 and 680 degrees C. A 60/40% NaNO3/KNO3 mixture of molten salt and nickel-based alloys HA230 and In625 were tested for up to 4000 h at the given temperatures. HA230 and In625 alloys showed metal losses of 688 and 594 mu m/year, respectively, after 1000 h at 680 degrees C. The solar salt used in this study showed significant decreases (as much as 60 degrees C) in melting point. Further experiments showed that the primary reason for the decrease in melting point is due to high nitrite concentrations in the molten salt. However, other thermophysical properties of aged solar salt appear to change little during high-temperature corrosion tests. (C) 2014 Elsevier Ltd. All rights reserved. C1 [McConohy, Geoff; Kruizenga, Alan] Sandia Natl Labs, Livermore, CA 94550 USA. RP Kruizenga, A (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM amkruiz@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000, SAND2013-6520 J] 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. SAND2013-6520 J. NR 25 TC 6 Z9 6 U1 3 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2014 VL 103 BP 242 EP 252 DI 10.1016/j.solener.2014.01.028 PG 11 WC Energy & Fuels SC Energy & Fuels GA AH7YR UT WOS:000336351800023 ER PT J AU Kim, T France, DM Yu, WH Zhao, WH Singh, D AF Kim, Taeil France, David M. Yu, Wenhua Zhao, Weihuan Singh, Dileep TI Heat transfer analysis of a latent heat thermal energy storage system using graphite foam for concentrated solar power SO SOLAR ENERGY LA English DT Article DE LHTES thermal energy storage; Graphite foam; Phase change; Latent heat ID PHASE-CHANGE MATERIALS; CARBON FOAMS; METAL FOAMS; FINNED TUBE; CONDUCTIVITY; TEMPERATURE; ENHANCEMENT; SOLIDIFICATION; CONVECTION; PIPES AB A latent heat thermal energy storage (LHTES) system, consisting of a tank filled with a phase-change material and pipes carrying a heat transfer fluid, for a concentrated solar power plant was analyzed. The effect of a relatively new, high thermal conductivity graphite foam was considered in the phase-change material region. An 8-h discharging transient was analyzed for an LHTES system with and without graphite foam. The phase-change front position at the end of the transient was calculated and used to determine the number of heat transfer fluid pipes in the tank. Optimization of the LHTES system was conducted through varying the thermal conductivity of the phase change material/foam combination, the velocity of the heat transfer fluid, and the diameter and wall thickness of the pipes. It is shown that dramatic reductions in number of the pipes can be achieved with the use of the graphite foam in the phase-change material and the turbulent flow. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Kim, Taeil; Yu, Wenhua; Zhao, Weihuan] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. [Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Singh, D (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dsingh@anl.gov FU US Department of Energy's EERE Solar Energy Technology Program (Sunshot Initiative) at Argonne National Laboratory, a US Department of Energy's Office of Science Laboratory [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy's EERE Solar Energy Technology Program (Sunshot Initiative) at Argonne National Laboratory, a US Department of Energy's Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 39 TC 14 Z9 14 U1 2 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2014 VL 103 BP 438 EP 447 DI 10.1016/j.solener.2014.02.038 PG 10 WC Energy & Fuels SC Energy & Fuels GA AH7YR UT WOS:000336351800040 ER PT J AU Zhu, GD Wendelin, T Wagner, MJ Kutscher, C AF Zhu, Guangdong Wendelin, Tim Wagner, Michael J. Kutscher, Chuck TI History, current state, and future of linear Fresnel concentrating solar collectors SO SOLAR ENERGY LA English DT Article DE Linear Fresnel; Concentrating solar power; Solar thermal ID TRAPEZOIDAL CAVITY ABSORBER; HEAT-LOSS; PERFORMANCE; TECHNOLOGY; RECEIVER; SYSTEM AB Linear Fresnel collectors are a type of concentrating solar power technology. In this paper, the technology's technical features and aspects are first described via illustrations of various design concepts; then, the past low- and intermediate-temperature applications of linear Fresnel collectors are reviewed and their state-of-the-art applications in utility-scale electricity generation are presented; finally, the performance, technical challenges, and future outlook of linear Fresnel technology in the context of utility-scale power plants are summarized. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Zhu, Guangdong; Wendelin, Tim; Wagner, Michael J.; Kutscher, Chuck] Natl Renewable Energy Lab, Concentrating Solar Power Program, Golden, CO 80401 USA. RP Zhu, GD (reprint author), Natl Renewable Energy Lab, Concentrating Solar Power Program, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Guangdong.Zhu@nrel.gov FU US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory (NREL) FX This work was supported by the US Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory (NREL). NR 55 TC 39 Z9 39 U1 4 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2014 VL 103 BP 639 EP 652 DI 10.1016/j.solener.2013.05.021 PG 14 WC Energy & Fuels SC Energy & Fuels GA AH7YR UT WOS:000336351800055 ER PT J AU Konomi, B Karagiannis, G Sarkar, A Sun, X Lin, G AF Konomi, Bledar Karagiannis, Georgios Sarkar, Avik Sun, Xin Lin, Guang TI Bayesian Treed Multivariate Gaussian Process With Adaptive Design: Application to a Carbon Capture Unit SO TECHNOMETRICS LA English DT Article DE Bayesian treed Gaussian process; Computer experiments; Markov chain Monte Carlo; Separability ID UNCERTAINTY AB Computer experiments are widely used in scientific research to study and predict the behavior of complex systems, which often have responses consisting of a set of nonstationary outputs. The computational cost of simulations at high resolution often is expensive and impractical for parametric studies at different input values. In this article, we develop a Bayesian treed multivariate Gaussian process (BTMGP) as an extension of the Bayesian treed Gaussian process (BTGP) to model the cross-covariance function and the nonstationarity of the multivariate output. We facilitate the computational complexity of the Markov chain Monte Carlo sampler by choosing appropriately the covariance function and prior distributions. Based on the BTMGP, we develop a sequential design of experiment for the input space and construct an emulator. We demonstrate the use of the proposed method in test cases and compare it with alternative approaches. We also apply the sequential sampling technique and BTMGP to model the multiphase flow in a full scale regenerator of a carbon capture unit. C1 [Konomi, Bledar; Karagiannis, Georgios; Sarkar, Avik; Sun, Xin; Lin, Guang] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Konomi, B (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM bledar.konomi@pnnl.gov; Georgios.Karagiannis@pnnl.gov; Avik.Sarkar@pnnl.gov; xin.sun@pnnl.gov; guang.lin@pnnl.gov FU Department of Energy Carbon Capture Simulation Initiative; U.S. Department of Energy [DE-AC05-76RL01830] FX The research at Pacific Northwest National Laboratory (PNNL) was supported by the Department of Energy Carbon Capture Simulation Initiative. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. We thank the referees and the editors for their valuable comments. NR 28 TC 8 Z9 8 U1 1 U2 7 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 732 N WASHINGTON ST, ALEXANDRIA, VA 22314-1943 USA SN 0040-1706 EI 1537-2723 J9 TECHNOMETRICS JI Technometrics PD MAY PY 2014 VL 56 IS 2 BP 145 EP 158 DI 10.1080/00401706.2013.879078 PG 14 WC Statistics & Probability SC Mathematics GA AH2NG UT WOS:000335957600003 ER PT J AU Borland, AM Hartwell, J Weston, DJ Schlauch, KA Tschaplinski, TJ Tuskan, GA Yang, XH Cushman, JC AF Borland, Anne M. Hartwell, James Weston, David J. Schlauch, Karen A. Tschaplinski, Timothy J. Tuskan, Gerald A. Yang, Xiaohan Cushman, John C. TI Engineering crassulacean acid metabolism to improve water-use efficiency SO TRENDS IN PLANT SCIENCE LA English DT Review DE crassulacean acid metabolism; water-use efficiency; engineering CAM into C-3 plants; biodesign; bioenergy ID MESEMBRYANTHEMUM-CRYSTALLINUM L; PHOSPHOENOLPYRUVATE CARBOXYLASE KINASE; CARBON FIXATION PATHWAYS; COMMON ICE PLANT; MEDIATED CHROMOSOMAL TRUNCATION; PROTEIN-PROTEIN INTERACTIONS; GUARD-CELLS; C-4 PHOTOSYNTHESIS; STOMATAL RESPONSES; ANION CHANNELS AB Climatic extremes threaten agricultural sustainability worldwide. One approach to increase plant water-use efficiency (WUE) is to introduce crassulacean acid metabolism (CAM) into C-3 crops. Such a task requires comprehensive systems-level understanding of the enzymatic and regulatory pathways underpinning this temporal CO2 pump. Here we review the progress that has been made in achieving this goal. Given that CAM arose through multiple independent evolutionary origins, comparative transcriptomics and genomics of taxonomically diverse CAM species are being used to define the genetic 'parts list' required to operate the core CAM functional modules of nocturnal carboxylation, diurnal decarboxylation, and inverse stomatal regulation. Engineered CAM offers the potential to sustain plant productivity for food, feed, fiber, and biofuel production in hotter and drier climates. C1 [Borland, Anne M.] Newcastle Univ, Sch Biol, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Borland, Anne M.; Weston, David J.; Tschaplinski, Timothy J.; Tuskan, Gerald A.; Yang, Xiaohan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Hartwell, James] Univ Liverpool, Inst Integrat Biol, Dept Plant Sci, Liverpool L69 7ZB, Merseyside, England. [Schlauch, Karen A.; Cushman, John C.] Univ Nevada, Dept Biochem & Mol Biol, Reno, NV 89557 USA. RP Cushman, JC (reprint author), Univ Nevada, Dept Biochem & Mol Biol, MS330, Reno, NV 89557 USA. EM jcushman@unr.edu RI Hartwell, James/M-7249-2014; Yim, Won Cheol/K-9100-2016; Tuskan, Gerald/A-6225-2011; Yang, Xiaohan/A-6975-2011; OI Hartwell, James/0000-0001-5000-223X; Yim, Won Cheol/0000-0002-7489-0435; Tuskan, Gerald/0000-0003-0106-1289; Yang, Xiaohan/0000-0001-5207-4210; Tschaplinski, Timothy/0000-0002-9540-6622 FU DOE, Office of Science, Genomic Science Program [DE-SC0008834]; National Science Foundation, USA [IOS-084373]; Biotechnology and Biological Sciences Research Council, UK [BB/F009313/1]; National Center for Research Resources [5P20RR016464-11]; National Institute of General Medical Sciences [8 P20 GM103440-11]; National Institutes of Health (NIH) through Nevada Genomics Center and the Nevada Center for Bioinformatics; US DOE [DE-AC05-00OR22725] FX This Review is based on work supported by the DOE, Office of Science, Genomic Science Program under Award Number DE-SC0008834. The M. crystallinum transcriptome and mRNA expression data were supported by the National Science Foundation, USA (IOS-084373 awarded to K.A.S. and J.C.C.). The K fedtschenkoi sequencing and CAM functional genomics project was supported by the Biotechnology and Biological Sciences Research Council, UK (BB/F009313/1 awarded to J.H.). This publication was also made possible by grants from the National Center for Research Resources (5P20RR016464-11) and the National Institute of General Medical Sciences (8 P20 GM103440-11) from the National Institutes of Health (NIH) through its support of the Nevada Genomics Center and the Nevada Center for Bioinformatics. The contents of this Feature Review are solely the responsibility of the authors and do not necessarily represent the official views of the DOE or NIH. The authors acknowledge the contributions of all of the members of the CAM Biodesign research team, including: Jin-Gui Chen, Enrique De Paoli, Nancy Engle, Lee Gunter, Sara Jawdy, Guruprasad H. Kora, Kaitlin Palla, Hengfu Yin, Zack Moore, and Heather Tran (ORNL); Susie Boxall and Louisa Dever (University of Liverpool); Rebecca Albion, Travis Garcia, Jungmin Ha, Sung Don Lim, Jesse Mayer, Juli Petereit, Richard Tillett, Bernard Wone, and Won Cheol Yim (University of Nevada, Reno); and Hong Guo (University of Tennessee). They also thank Mary Ann Cushman for critical review and clarifying comments on the manuscript and Lori Kunder for assistance with figure presentation. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the US DOE under Contract Number DE-AC05-00OR22725. NR 139 TC 24 Z9 24 U1 7 U2 83 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1360-1385 J9 TRENDS PLANT SCI JI Trends Plant Sci. PD MAY PY 2014 VL 19 IS 5 BP 327 EP 338 DI 10.1016/j.tplants.2014.01.006 PG 12 WC Plant Sciences SC Plant Sciences GA AH5TB UT WOS:000336192900014 PM 24559590 ER PT J AU Headd, JJ Echols, N Afonine, PV Moriarty, NW Gildea, RJ Adams, PD AF Headd, Jeffrey J. Echols, Nathaniel Afonine, Pavel V. Moriarty, Nigel W. Gildea, Richard J. Adams, Paul D. TI Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID LEAST-SQUARES REFINEMENT; DENSITY MODIFICATION; STRUCTURE VALIDATION; CRYSTAL-STRUCTURES; LOW-RESOLUTION; PROGRAM; CRYSTALLOGRAPHY; PHENIX.REFINE; MOLPROBITY; BACKBONE AB One of the great challenges in refining macromolecular crystal structures is a low data-to-parameter ratio. Historically, knowledge from chemistry has been used to help to improve this ratio. When a macromolecule crystallizes with more than one copy in the asymmetric unit, the noncrystallographic symmetry relationships can be exploited to provide additional restraints when refining the working model. However, although globally similar, NCS-related chains often have local differences. To allow for local differences between NCS-related molecules, flexible torsion-based NCS restraints have been introduced, coupled with intelligent rotamer handling for protein chains, and are available in phenix. refine for refinement of models at all resolutions. C1 [Headd, Jeffrey J.; Echols, Nathaniel; Afonine, Pavel V.; Moriarty, Nigel W.; Gildea, Richard J.; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Headd, Jeffrey J.] Duke Univ, Med Ctr, Durham, NC 27710 USA. [Gildea, Richard J.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM pdadams@lbl.gov RI Adams, Paul/A-1977-2013; Gildea, Richard/J-6862-2012 OI Adams, Paul/0000-0001-9333-8219; Gildea, Richard/0000-0001-5038-6958 FU NIH and its ARRA supplement [GM063210]; Phenix Industrial Consortium; US Department of Energy [DE-AC02-05CH11231] FX Thanks to Dave and Jane Richardson of Duke University for helpful discussions, particularly in regard to rotamer correction and the implementation of the backrub motion. Thanks also to the Phenix user community for helpfully providing difficult cases that aided in the development of the routines described. Finally, thanks to the entire Phenix development team and Industrial Consortium for invaluable feedback and scientific discussions that led to the development of the tools described in this manuscript. Funding was provided by NIH grant No. GM063210 and its ARRA supplement and the Phenix Industrial Consortium. This work was supported in part by the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 41 TC 3 Z9 3 U1 0 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1399-0047 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD MAY PY 2014 VL 70 BP 1346 EP 1356 DI 10.1107/S1399004714003277 PN 5 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AH2LI UT WOS:000335952500016 PM 24816103 ER PT J AU Yin, XY Scalia, A Leroy, L Cuttitta, CM Polizzo, GM Ericson, DL Roessler, CG Campos, O Ma, MY Agarwal, R Jackimowicz, R Allaire, M Orville, AM Sweet, RM Soares, AS AF Yin, Xingyu Scalia, Alexander Leroy, Ludmila Cuttitta, Christina M. Polizzo, Gina M. Ericson, Daniel L. Roessler, Christian G. Campos, Olven Ma, Millie Y. Agarwal, Rakhi Jackimowicz, Rick Allaire, Marc Orville, Allen M. Sweet, Robert M. Soares, Alexei S. TI Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article ID X-RAY CRYSTALLOGRAPHY; DRUG DISCOVERY; CRYSTAL-STRUCTURES; LEAD DISCOVERY; INHIBITORS; DESIGN; BINDING; OPTIMIZATION; GENERATION; REFINEMENT AB Acoustic droplet ejection (ADE) is a powerful technology that supports crystallographic applications such as growing, improving and manipulating protein crystals. A fragment-screening strategy is described that uses ADE to co-crystallize proteins with fragment libraries directly on MiTeGen MicroMeshes. Co-crystallization trials can be prepared rapidly and economically. The high speed of specimen preparation and the low consumption of fragment and protein allow the use of individual rather than pooled fragments. The Echo 550 liquid-handling instrument (Labcyte Inc., Sunnyvale, California, USA) generates droplets with accurate trajectories, which allows multiple co-crystallization experiments to be discretely positioned on a single data-collection micromesh. This accuracy also allows all components to be transferred through small apertures. Consequently, the crystallization tray is in equilibrium with the reservoir before, during and after the transfer of protein, precipitant and fragment to the micromesh on which crystallization will occur. This strict control of the specimen environment means that the crystallography experiments remain identical as the working volumes are decreased from the few microlitres level to the few nanolitres level. Using this system, lysozyme, thermolysin, trypsin and stachydrine demethylase crystals were co-crystallized with a small 33-compound mini-library to search for fragment hits. This technology pushes towards a much faster, more automated and more flexible strategy for structure-based drug discovery using as little as 2.5 nl of each major component. C1 [Yin, Xingyu; Scalia, Alexander; Leroy, Ludmila; Cuttitta, Christina M.; Polizzo, Gina M.; Ericson, Daniel L.; Campos, Olven; Ma, Millie Y.] Brookhaven Natl Lab, Off Educ Programs, Upton, NY 11973 USA. [Yin, Xingyu] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Yin, Xingyu] Nanjing Univ, Nanjing 210008, Jiangsu, Peoples R China. [Scalia, Alexander] SUNY Binghamton, Dept Biol Sci, Binghamton, NY 13902 USA. [Leroy, Ludmila] Minist Educ Brazil, CAPES Fdn, BR-70040020 Brasilia, DF, Brazil. [Leroy, Ludmila] Univ Fed Minas Gerais, BR-31270901 Belo Horizonte, MG, Brazil. [Cuttitta, Christina M.] CUNY Coll Staten Isl, Ctr Dev Neurosci, Staten Isl, NY 10314 USA. [Cuttitta, Christina M.] CUNY Coll Staten Isl, Dept Biol, Staten Isl, NY 10314 USA. [Polizzo, Gina M.] St Josephs Coll, East Patchogue, NY 11772 USA. [Ericson, Daniel L.] SUNY Buffalo, Dept Biomed Engn, Buffalo, NY 14260 USA. [Roessler, Christian G.; Jackimowicz, Rick; Allaire, Marc; Orville, Allen M.; Sweet, Robert M.; Soares, Alexei S.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Campos, Olven] Florida Atlantic Univ, Dept Biol Sci, Boca Raton, FL 33414 USA. [Ma, Millie Y.] Comsewogue High Sch, Port Jefferson Stn, NY 11776 USA. [Agarwal, Rakhi; Orville, Allen M.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. RP Soares, AS (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM soares@bnl.gov FU US Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS); Brookhaven National Laboratory/US Department of Energy, Laboratory Directed Research and Development [11-008]; Office of Biological and Environmental Research; Office Basic Energy Sciences of the US Department of Energy; National Center for Research Resources [P41RR012408]; National Institute of General Medical Sciences of the National Institutes of Health [P41GM103473]; Louis Stokes Alliances for Minority Participation fellowship; Institute of International Education (IIE) FX Personnel for this study were recruited largely through the 2013 spring and summer session of the Science Undergraduate Laboratory Internships Program (SULI), supported through the US Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS). Major ongoing financial support for acoustic droplet ejection applications was through the Brookhaven National Laboratory/US Department of Energy, Laboratory Directed Research and Development Grant 11-008 and from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy, and from the National Center for Research Resources (P41RR012408) and the National Institute of General Medical Sciences (P41GM103473) of the National Institutes of Health. Additional support was provided by a Louis Stokes Alliances for Minority Participation fellowship and by the Institute of International Education (IIE). Data for this study were measured on beamlines X12C, X25 and X29 of the National Synchrotron Light Source. We thank the Co-editor and the reviewers of the manuscript for taking the time to help us to address areas that were outside of our expertise, such as some of the details of fragment screening and drug design. We thank Labcyte Inc., and especially Joe Olechno, Richard Ellson and Richard Stearns for their technical support and guidance. Author contributions were as follows. ASS designed the experiment and wrote the paper. XY, AS, LL, CMC, GMP, DLE, OC, MYM and ASS grew crystals, obtained data and analyzed data. ASS, CGR and RJ designed and built the labware. ASS, RA, CGR and RMS trained and supervised student interns. RA and AMO provided the expressed protein. MA, CGR, AMO and ASS designed a related fragment-screening system that supports the current effort. NR 57 TC 21 Z9 22 U1 1 U2 14 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD MAY PY 2014 VL 70 BP 1177 EP 1189 DI 10.1107/S1399004713034603 PN 5 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AH2LI UT WOS:000335952500001 PM 24816088 ER PT J AU Barriere, NM Tomsick, JA Baganoff, FK Boggs, SE Christensen, FE Craig, WW Dexter, J Grefenstette, B Hailey, CJ Harrison, FA Madsen, KK Mori, K Stern, D Zhang, WW Zhang, S Zoglauer, A AF Barriere, Nicolas M. Tomsick, John A. Baganoff, Frederick K. Boggs, Steven E. Christensen, Finn E. Craig, William W. Dexter, Jason Grefenstette, Brian Hailey, Charles J. Harrison, Fiona A. Madsen, Kristin K. Mori, Kaya Stern, Daniel Zhang, William W. Zhang, Shuo Zoglauer, Andreas TI NuSTAR DETECTION OF HIGH-ENERGY X-RAY EMISSION AND RAPID VARIABILITY FROM SAGITTARIUS A(star) FLARES SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; Galaxy: center; stars: black holes; stars: flare; stars: individual (Sgr A*); X-rays: general ID SGR-A-ASTERISK; SUPERMASSIVE BLACK-HOLE; NEAR-INFRARED FLARES; EXTRAGALACTIC RADIO-SOURCES; GALACTIC-CENTER; FLARING ACTIVITY; XMM-NEWTON; BRIGHTEST FLARE; ACCRETION FLOW; STELLAR ORBITS AB Sagittarius A(star) harbors the supermassive black hole that lies at the dynamical center of our Galaxy. Sagittarius A(star) spends most of its time in a low luminosity emission state but flares frequently in the infrared and X-ray, increasing up to a few hundred fold in brightness for up to a few hours at a time. The physical processes giving rise to the X-ray flares are uncertain. Here we report the detection with the NuSTAR observatory in Summer and Fall 2012 of four low to medium amplitude X-ray flares to energies up to 79 keV. For the first time, we clearly see that the power-law spectrum of Sagittarius A(star) X-ray flares extends to high energy, with no evidence for a cutoff. Although the photon index of the absorbed power-law fits are in agreement with past observations, we find a difference between the photon index of two of the flares (significant at the 95% confidence level). The spectra of the two brightest flares (similar to 55 times quiescence in the 2-10 keV band) are compared to simple physical models in an attempt to identify the main X-ray emission mechanism, but the data do not allow us to significantly discriminate between them. However, we confirm the previous finding that the parameters obtained with synchrotron models are, for the X-ray emission, physically more reasonable than those obtained with inverse Compton models. One flare exhibits large and rapid (< 100 s) variability, which, considering the total energy radiated, constrains the location of the flaring region to be within similar to 10 Schwarzschild radii of the black hole. C1 [Barriere, Nicolas M.; Tomsick, John A.; Boggs, Steven E.; Craig, William W.; Zoglauer, Andreas] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Baganoff, Frederick K.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Christensen, Finn E.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Craig, William W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Dexter, Jason] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Dexter, Jason] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Grefenstette, Brian; Harrison, Fiona A.; Madsen, Kristin K.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Hailey, Charles J.; Mori, Kaya; Zhang, Shuo] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Stern, Daniel] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, William W.] NASA, Goddard Space Flight Ctr, Xray Astrophys Lab, Greenbelt, MD 20771 USA. RP Barriere, NM (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RI Boggs, Steven/E-4170-2015 OI Boggs, Steven/0000-0001-9567-4224 FU NASA [NNG08FD60C]; National Aeronautics and Space Administration FX This work was supported under NASA contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software, and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). The authors thank S. Nayakshin, S. Markoff, A. Eckart, G. Trap, M. Wardle, and F. Yusef-Zadeh for useful discussions. We also thank the Chandra Sgr Astar XVP collaboration for information on absence of X-ray transients before and after the flares reported here. NR 55 TC 27 Z9 27 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2014 VL 786 IS 1 AR 46 DI 10.1088/0004-637X/786/1/46 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700046 ER PT J AU Del Moro, A Mullaney, JR Alexander, DM Comastri, A Bauer, FE Treister, E Stern, D Civano, F Ranalli, P Vignali, C Aird, JA Ballantyne, DR Balokovic, M Boggs, SE Brandt, WN Christensen, FE Craig, WW Gandhi, P Gilli, R Hailey, CJ Harrison, FA Hickox, RC LaMassa, SM Lansbury, GB Luo, B Puccetti, S Urry, M Zhang, WW AF Del Moro, A. Mullaney, J. R. Alexander, D. M. Comastri, A. Bauer, F. E. Treister, E. Stern, D. Civano, F. Ranalli, P. Vignali, C. Aird, J. A. Ballantyne, D. R. Balokovic, M. Boggs, S. E. Brandt, W. N. Christensen, F. E. Craig, W. W. Gandhi, P. Gilli, R. Hailey, C. J. Harrison, F. A. Hickox, R. C. LaMassa, S. M. Lansbury, G. B. Luo, B. Puccetti, S. Urry, M. Zhang, W. W. TI NuSTAR J033202-2746.8: DIRECT CONSTRAINTS ON THE COMPTON REFLECTION IN A HEAVILY OBSCURED QUASAR AT z approximate to 2 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; infrared: galaxies; quasars: general; quasars: individual (NuSTAR J033202-2746.8); X-rays: galaxies ID DEEP FIELD-SOUTH; ACTIVE GALACTIC NUCLEI; RAY SPECTRAL PROPERTIES; HARD X-RAYS; XMM-NEWTON OBSERVATIONS; STAR-FORMING GALAXIES; POINT-SOURCE CATALOGS; LINE RADIO GALAXIES; MS SOURCE CATALOGS; SWIFT-BAT SURVEY AB We report Nuclear Spectroscopic Telescope Array (NuSTAR) observations of NuSTAR J033202-2746.8, a heavily obscured, radio-loud quasar detected in the Extended Chandra Deep Field-South, the deepest layer of the NuSTAR extragalactic survey (similar to 400 ks, at its deepest). NuSTAR J033202-2746.8 is reliably detected by NuSTAR only at E > 8 keV and has a very flat spectral slope in the NuSTAR energy band (Gamma = 0.55(-0.64)(+0.62); 3-30 keV). Combining the NuSTAR data with extremely deep observations by Chandra and XMM-Newton (4 Ms and 3 Ms, respectively), we constrain the broad-band X-ray spectrum of NuSTAR J033202-2746.8, indicating that this source is a heavily obscured quasar (N-H = 5.6(-0.8)(+0.9) x 10(23) cm(-2)) with luminosity L10-40 keV approximate to 6.4 x 10(44) erg s(-1). Although existing optical and near-infrared (near-IR) data, as well as follow-up spectroscopy with the Keck and VLT telescopes, failed to provide a secure redshift identification for NuSTAR J033202-2746.8, we reliably constrain the redshift z = 2.00 +/- 0.04 from the X-ray spectral features (primarily from the iron K edge). The NuSTAR spectrum shows a significant reflection component (R = 0.55(-0.37)(+0.44)), which was not constrained by previous analyses of Chandra and XMM-Newton data alone. The measured reflection fraction is higher than the R similar to 0 typically observed in bright radio-loud quasars such as NuSTAR J033202-2746.8, which has L-1.4 GHz approximate to 10(27) W Hz(-1). Constraining the spectral shape of active galactic nuclei (AGNs), including bright quasars, is very important for understanding the AGN population, and can have a strong impact on the modeling of the X-ray background. Our results show the importance of NuSTAR in investigating the broad-band spectral properties of quasars out to high redshift. C1 [Del Moro, A.; Mullaney, J. R.; Alexander, D. M.; Aird, J. A.; Gandhi, P.; Lansbury, G. B.] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Mullaney, J. R.] Univ Sheffield, Dept Phys & Astron, Sheffield S3 7RH, S Yorkshire, England. [Comastri, A.; Vignali, C.; Gilli, R.] INAF Osservatorio Astron Bologna, I-40127 Bologna, Italy. [Bauer, F. E.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Santiago 22, Chile. [Bauer, F. E.] Space Sci Inst, Boulder, CO 80301 USA. [Treister, E.] Univ Concepcion, Dept Astron, Concepcion, Chile. [Stern, D.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Civano, F.; Hickox, R. C.] Dartmouth Coll, Dept Phys & Astron, Wilder Lab 6127, Hanover, NH 03755 USA. [Civano, F.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ranalli, P.] Natl Observ Athens, Inst Astron Astrophys Space Applicat & Remote Sen, Inst Astron, Penteli 15236, Greece. [Vignali, C.] Univ Bologna, Dipartimento Fis & Astron, I-40127 Bologna, Italy. [Ballantyne, D. R.] Georgia Inst Technol, Sch Phys, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Balokovic, M.; Harrison, F. A.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Brandt, W. N.; Luo, B.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Brandt, W. N.; Luo, B.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Christensen, F. E.] Tech Univ Denmark, DTU Space Natl Space Inst, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [LaMassa, S. M.; Urry, M.] Yale Univ, Yale Ctr Astron & Astrophys, Dept Phys, New Haven, CT 06520 USA. [Puccetti, S.] ASI Sci Data Ctr, I-00044 Frascati, Italy. [Puccetti, S.] INAF Osservatorio Astronomico Roma, I-00040 Monte Porzio Catone, Italy. [Zhang, W. W.] NASA Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Del Moro, A (reprint author), Univ Durham, Dept Phys, S Rd, Durham DH1 3LE, England. EM agnese.del-moro@durham.ac.uk RI Ranalli, Piero/K-6363-2013; Vignali, Cristian/J-4974-2012; Boggs, Steven/E-4170-2015; Brandt, William/N-2844-2015; Comastri, Andrea/O-9543-2015; Gilli, Roberto/P-1110-2015; OI Ranalli, Piero/0000-0003-3956-755X; Vignali, Cristian/0000-0002-8853-9611; Boggs, Steven/0000-0001-9567-4224; Brandt, William/0000-0002-0167-2453; Comastri, Andrea/0000-0003-3451-9970; Gilli, Roberto/0000-0001-8121-6177; Alexander, David/0000-0002-5896-6313 FU UK Science and Technology Facilities Council (STFC) [ST/I001573/I, ST/K501979/1, ST/J003697/1]; Leverhulme Trust; ASI/INAF [I/037/12/0-011/13]; Basal-CATA [PFB-06/2007]; CONICYT-Chile [FONDECYT 1101024]; Anillo [ACT1101]; FONDECYT [1120061]; Caltech NuSTAR [44A-1092750]; NASA ADP [NNX10AC99G]; NASA [NNG08FD60C]; National Aeronautics and Space Administration; ESO Telescopes at the La Silla Paranal Observatory under the program [ID 092.A-0452] FX We thank the anonymous referee for careful reading and for the helpful comments, which helped improving this manuscript. We gratefully acknowledge financial support from the UK Science and Technology Facilities Council (STFC, ST/I001573/I, ADM and DMA; ST/K501979/1, GBL; ST/J003697/1, PG) and the Leverhulme Trust (D.M.A. and J.R.M.). A.C., C.V., R.G., and P.R. thank the ASI/INAF grant I/037/12/0-011/13. F.E.B. acknowledges support from Basal-CATA (PFB-06/2007) and CONICYT-Chile (FONDECYT 1101024 and Anillo grant ACT1101) and E.T. acknowledges the FONDECYT grant 1120061. W.N.B. and B.L. thank Caltech NuSTAR subcontract 44A-1092750 and NASA ADP grant NNX10AC99G. M.B. acknowledges the International Fulbright Science and Technology Award. This work was supported under NASA Contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). This work also used observations made with ESO Telescopes at the La Silla Paranal Observatory under the program ID 092.A-0452. NR 111 TC 19 Z9 19 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2014 VL 786 IS 1 AR 16 DI 10.1088/0004-637X/786/1/16 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700016 ER PT J AU Hoard, DW Long, KS Howell, SB Wachter, S Brinkworth, CS Knigge, C Drew, JE Szkody, P Kafka, S Belle, K Ciardi, DR Froning, CS van Belle, GT Pretorius, ML AF Hoard, D. W. Long, Knox S. Howell, Steve B. Wachter, Stefanie Brinkworth, Carolyn S. Knigge, Christian Drew, J. E. Szkody, Paula Kafka, S. Belle, Kunegunda Ciardi, David R. Froning, Cynthia S. van Belle, Gerard T. Pretorius, M. L. TI NOVA-LIKE CATACLYSMIC VARIABLES IN THE INFRARED SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion; accretion disks; circumstellar matter; infrared: stars; novae, cataclysmic variables; stars: individual (TT Ari, WX Ari, QU Car, V592 Cas, V442 Oph, V347 Pup, V3885 Sgr, VY Scl, RW Sex, RW Tri, UX UMa, IX Vel) ID UX URSAE MAJORIS; SW SEXTANTIS STAR; SPITZER-SPACE-TELESCOPE; CIRCUMBINARY ENVELOPE FORMATION; AQUARII PLANETARY SYSTEM; VY SCL STARS; ACCRETION DISK; TT-ARIETIS; WHITE-DWARF; X-RAY AB Nova-like (NL) cataclysmic variables have persistently high mass transfer rates and prominent steady state accretion disks. We present an analysis of infrared observations of 12 NLs obtained from the Two Micron All Sky Survey, the Spitzer Space Telescope, and the Wide-field Infrared Survey Explorer All Sky Survey. The presence of an infrared excess at lambda greater than or similar to 3-5 mu m over the expectation of a theoretical steady state accretion disk is ubiquitous in our sample. The strength of the infrared excess is not correlated with orbital period, but shows a statistically significant correlation (but shallow trend) with system inclination that might be partially (but not completely) linked to the increasing view of the cooler outer accretion disk and disk rim at higher inclinations. We discuss the possible origin of the infrared excess in terms of emission from bremsstrahlung or circumbinary dust, with either mechanism facilitated by the mass outflows (e.g., disk wind/corona, accretion stream overflow, and so on) present in NLs. Our comparison of the relative advantages and disadvantages of either mechanism for explaining the observations suggests that the situation is rather ambiguous, largely circumstantial, and in need of stricter observational constraints. C1 [Hoard, D. W.] Eureka Sci Inc, Oakland, CA 94602 USA. [Hoard, D. W.; Wachter, Stefanie] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Long, Knox S.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Howell, Steve B.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Brinkworth, Carolyn S.] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Brinkworth, Carolyn S.; Ciardi, David R.] CALTECH, Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Knigge, Christian] Univ Southampton, Southampton, Hants, England. [Drew, J. E.] Univ Hertfordshire, Sci & Technol Res Inst, Ctr Astrophys Res, Hatfield AL10 9AB, Herts, England. [Szkody, Paula] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Kafka, S.] Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC USA. [Belle, Kunegunda] Los Alamos Natl Lab, Los Alamos, NM USA. [Froning, Cynthia S.] Univ Colorado, Ctr Astrophys & Space Astron, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [van Belle, Gerard T.] Lowell Observ, Flagstaff, AZ 86001 USA. [Pretorius, M. L.] Univ Oxford, Dept Phys, Oxford, England. RP Hoard, DW (reprint author), Eureka Sci Inc, Oakland, CA 94602 USA. EM hoard@mpia.de OI Ciardi, David/0000-0002-5741-3047; Drew, Janet/0000-0003-1192-7082; Long, Knox/0000-0002-4134-864X FU NASA; National Science Foundation (NSF) FX This work is based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory (JPL), California Institute of Technology (Caltech), under a contract with the National Aeronautics and Space Administration (NASA). Support for this work was provided by NASA. We acknowledge with thanks the variable star observations from the AAVSO International Database contributed by observers worldwide and used in this research. This work is also based on data, data products, and other resources obtained from: (1) The Two Micron All Sky Survey (2MASS), a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center (IPAC)/Caltech, funded by NASA and the National Science Foundation (NSF). (2) NASA's Astrophysics Data System. (3) The NASA/IPAC Infrared Science Archive (IRSA), which is operated by JPL/Caltech, under a contract with NASA. (4) The SIMBAD database, operated at CDS, Strasbourg, France. (5) The Wide-field Infrared Survey Explorer (WISE), which is a joint project of the University of California, Los Angeles, and JPL/Caltech, funded by NASA. NR 201 TC 3 Z9 3 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 MAY 1 PY 2014 VL 786 IS 1 AR 68 DI 10.1088/0004-637X/786/1/68 PG 24 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700068 ER PT J AU Liu, N Savina, MR Davis, AM Gallino, R Straniero, O Gyngard, F Pellin, MJ Willingham, DG Dauphas, N Pignatari, M Bisterzo, S Cristallo, S Herwig, F AF Liu, Nan Savina, Michael R. Davis, Andrew M. Gallino, Roberto Straniero, Oscar Gyngard, Frank Pellin, Michael J. Willingham, David G. Dauphas, Nicolas Pignatari, Marco Bisterzo, Sara Cristallo, Sergio Herwig, Falk TI BARIUM ISOTOPIC COMPOSITION OF MAINSTREAM SILICON CARBIDES FROM MURCHISON: CONSTRAINTS FOR s-PROCESS NUCLEOSYNTHESIS IN ASYMPTOTIC GIANT BRANCH STARS SO ASTROPHYSICAL JOURNAL LA English DT Article DE dust, extinction; nuclear reactions, nucleosynthesis, abundances; stars: AGB and post-AGB; stars: carbon ID THERMONUCLEAR REACTION-RATES; METEORITIC SIC GRAINS; LOW-METALLICITY STARS; NUCLEAR-DATA LIBRARY; AGB STARS; RESONANCE IONIZATION; NEUTRON-CAPTURE; CROSS-SECTIONS; ENSTATITE CHONDRITES; STATISTICAL-MODEL AB We present barium, carbon, and silicon isotopic compositions of 38 acid-cleaned presolar SiC grains from Murchison. Comparison with previous data shows that acid washing is highly effective in removing barium contamination. Strong depletions in delta(Ba-138/Ba-136) values are found, down to -400 parts per thousand, which can only be modeled with a flatter C-13 profile within the C-13 pocket than is normally used. The dependence of d(Ba-138/Ba-136) predictions on the distribution of C-13 within the pocket in asymptotic giant branch (AGB) models allows us to probe the C-13 profile within the C-13 pocket and the pocket mass in AGB stars. In addition, we provide constraints on the Ne-22(alpha, n)Mg-25 rate in the stellar temperature regime relevant to AGB stars, based on delta(Ba-134/Ba-136) values of mainstream grains. We found two nominally mainstream grains with strongly negative delta(Ba-134/Ba-136) values that cannot be explained by any of the current AGB model calculations. Instead, such negative values are consistent with the intermediate neutron capture process (i process), which is activated by the very late thermal pulse during the post-AGB phase and characterized by a neutron density much higher than the s process. These two grains may have condensed around post-AGB stars. Finally, we report abundances of two p-process isotopes, Ba-130 and Ba-132, in single SiC grains. These isotopes are destroyed in the s process in AGB stars. By comparing their abundances with respect to that of Ba-135, we conclude that there is no measurable decay of Cs-135 (t(1/2) = 2.3 Ma) to Ba-135 in individual SiC grains, indicating condensation of barium, but not cesium into SiC grains before Cs-135 decayed. C1 [Liu, Nan; Davis, Andrew M.; Pellin, Michael J.; Dauphas, Nicolas] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Liu, Nan; Savina, Michael R.; Davis, Andrew M.; Pellin, Michael J.; Dauphas, Nicolas] Chicago Ctr Cosmochem, Chicago, IL 60637 USA. [Liu, Nan; Savina, Michael R.; Pellin, Michael J.; Willingham, David G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Davis, Andrew M.; Dauphas, Nicolas] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Gallino, Roberto; Bisterzo, Sara] Univ Turin, Dipartimento Fis, I-10125 Turin, Italy. [Straniero, Oscar; Cristallo, Sergio] Osservatorio Astron Collurania, INAF, I-64100 Teramo, Italy. [Gyngard, Frank] Washington Univ, Lab Space Sci, St Louis, MO 63130 USA. [Pignatari, Marco] Univ Basel, Dept Phys, CH-4056 Basel, Switzerland. [Bisterzo, Sara] Osserv Astron Torino, INAF, I-10025 Pino Torinese, Italy. [Herwig, Falk] Univ Victoria, Dept Phys & Astron, Victoria, BC V8P 5C2, Canada. RP Liu, N (reprint author), Univ Chicago, Dept Geophys Sci, 5734 S Ellis Ave, Chicago, IL 60637 USA. EM lnsmile@uchicago.edu RI Pellin, Michael/B-5897-2008; OI Willingham, David/0000-0002-7166-8994; Pellin, Michael/0000-0002-8149-9768; Straniero, Oscar/0000-0002-5514-6125; Liu, Nan/0000-0002-4456-4065; Pignatari, Marco/0000-0002-9048-6010; Cristallo, Sergio/0000-0001-9683-9406 FU NASA; US Department of Energy, BES-Division of Materials Science and Engineering [DEAC02-06CH11357]; NASA Earth and Space Sciences [NNX11AN63H]; Italian Ministry of Education, University and Research under the FIRB2008 program [RBFR08549F-002]; PRIN-INAF; Joint Institute for Nuclear Astrophysics (JINA, University of Notre Dame, USA); Karlsruhe Institute of Technology (KIT, Karlsruhe, Germany); NSF [PHY 02-16783, PHY 09-22648]; EU [MIRG-CT-2006-046520]; NSERC; SNSF [200020-132816]; EuroGENESIS FX We thank the anonymous referee for a careful and constructive reading of the manuscript. This work is supported by the NASA Cosmochemistry program, through grants to the University of Chicago and Argonne National Laboratory, by the US Department of Energy, BES-Division of Materials Science and Engineering, under contract DEAC02-06CH11357 (CHARISMA facility). N.L. acknowledges the NASA Earth and Space Sciences Fellowship Program (NNX11AN63H) for support. S.C. and O.S. acknowledge support from the Italian Ministry of Education, University and Research under the FIRB2008 program (RBFR08549F-002) and from the PRIN-INAF 2011 project "Multiple populations in Globular Clusters: their role in the Galaxy assembly". S.C. and O.S. thank Dr. Luciano Piersanti for continuous scientific valuable discussions on stellar modeling. S.B. acknowledges financial support from the Joint Institute for Nuclear Astrophysics (JINA, University of Notre Dame, USA) and from Karlsruhe Institute of Technology (KIT, Karlsruhe, Germany). Part of the Torino model numerical calculations has been sustained by B2FH Association (http://www.b2fh.org/). M.P. and F.H. acknowledge significant support from NSF grants PHY 02-16783 and PHY 09-22648 (Joint Institute for Nuclear Astrophysics, JINA) and EU MIRG-CT-2006-046520. The continued work on codes and in disseminating data is made possible through funding from NSERC Discovery grant (F.H., Canada), and from SNSF an Ambizione grant and the research grant 200020-132816 (M.P., Switzerland). M.P. also thanks the support from EuroGENESIS. NR 87 TC 23 Z9 24 U1 4 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 MAY 1 PY 2014 VL 786 IS 1 AR 66 DI 10.1088/0004-637X/786/1/66 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700066 ER PT J AU Tang, SM Bildsten, L Wolf, WM Li, KL Kong, AKH Cao, Y Cenko, SB De Cia, A Kasliwal, MM Kulkarni, SR Laher, RR Masci, F Nugent, PE Perley, DA Prince, TA Surace, J AF Tang, Sumin Bildsten, Lars Wolf, William M. Li, K. L. Kong, Albert K. H. Cao, Yi Cenko, S. Bradley De Cia, Annalisa Kasliwal, Mansi M. Kulkarni, Shrinivas R. Laher, Russ R. Masci, Frank Nugent, Peter E. Perley, Daniel A. Prince, Thomas A. Surace, Jason TI AN ACCRETING WHITE DWARF NEAR THE CHANDRASEKHAR LIMIT IN THE ANDROMEDA GALAXY SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : individual (M31); novae, cataclysmic variables; supernovae : general; white dwarfs; X-rays : binaries ID REMARKABLE RECURRENT NOVA; STELLAR ASTROPHYSICS MESA; X-RAY SOURCES; CLASSICAL NOVAE; PHOTOMETRIC CALIBRATION; CENTRAL REGION; LIGHT CURVES; U SCORPII; TELESCOPE; M31 AB The intermediate Palomar Transient Factory (iPTF) detection of the most recent outburst of the recurrent nova (RN) system RX J0045.4+4154 in the Andromeda galaxy has enabled the unprecedented study of a massive (M > 1.3 M (circle dot)) accreting white dwarf (WD). We detected this nova as part of the near-daily iPTF monitoring of M31 to a depth of R approximate to 21 mag and triggered optical photometry, spectroscopy and soft X-ray monitoring of the outburst. Peaking at an absolute magnitude of M-R = -6.6 mag, and with a decay time of 1 mag per day, it is a faint and very fast nova. It shows optical emission lines of He/N and expansion velocities of 1900-2600 km s(-1) 1-4 days after the optical peak. The Swift monitoring of the X-ray evolution revealed a supersoft source (SSS) with kT(eff) approximate to 90-110 eV that appeared within 5 days after the optical peak, and lasted only 12 days. Most remarkably, this is not the first event from this system, rather it is an RN with a time between outbursts of approximately 1 yr, the shortest known. Recurrent X-ray emission from this binary was detected by ROSAT in 1992 and 1993, and the source was well characterized as a M > 1.3 M (circle dot) WD SSS. Based on the observed recurrence time between different outbursts, the duration and effective temperature of the SS phase, MESA models of accreting WDs allow us to constrain the accretion rate to M > 1.7 Chi 10(-7) M-circle dot yr(-1) and WD mass > 1.30 M-circle dot. If the WD keeps 30% of the accreted material, it will take less than a Myr to reach core densities high enough for carbon ignition (if made of C/O) or electron capture (if made of O/Ne) to end the binary evolution. C1 [Tang, Sumin; Bildsten, Lars] Univ Calif Santa Barbara, Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. [Tang, Sumin; Cao, Yi; Kulkarni, Shrinivas R.; Perley, Daniel A.; Prince, Thomas A.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. [Bildsten, Lars; Wolf, William M.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Li, K. L.; Kong, Albert K. H.] Natl Tsing Hua Univ, Inst Astron, Hsinchu 30013, Taiwan. [Li, K. L.; Kong, Albert K. H.] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan. [Cenko, S. Bradley] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Cenko, S. Bradley] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [De Cia, Annalisa] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. [Kasliwal, Mansi M.] Carnegie Inst Washington Observ, Pasadena, CA 91101 USA. [Laher, Russ R.; Surace, Jason] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Masci, Frank] CALTECH, Infrared Proc & Anal Ctr, Pasadena, CA 91125 USA. [Nugent, Peter E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Nugent, Peter E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. RP Tang, SM (reprint author), Univ Calif Santa Barbara, Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. OI Wolf, William/0000-0002-6828-0630 FU National Science Foundation [PHY 11-25915, AST 11-09174, AST 12-05574]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Council of the Republic of China (Taiwan) [NSC101-2119-M-008-007-MY3]; Hubble Fellowship; Carnegie-Princeton Fellowship FX This work was supported by the National Science Foundation under grants PHY 11-25915, AST 11-09174, and AST 12-05574. Most of the MESA simulations for this work were made possible by the Triton Resource. The Triton Resource is a high-performance research computing system operated by the San Diego Supercomputer Center at UC San Diego. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. A.K.H.K. is supported by the National Science Council of the Republic of China (Taiwan) through grant NSC101-2119-M-008-007-MY3. M.M.K. acknowledges generous support from the Hubble Fellowship and Carnegie-Princeton Fellowship. We are grateful to the Swift Team for the superb timely scheduling of the observations and providing data and analysis tools, and to Bill Paxton for his development of MESA. NR 59 TC 25 Z9 25 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2014 VL 786 IS 1 AR 61 DI 10.1088/0004-637X/786/1/61 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700061 ER PT J AU van Engelen, A Bhattacharya, S Sehgal, N Holder, GP Zahn, O Nagai, D AF van Engelen, A. Bhattacharya, S. Sehgal, N. Holder, G. P. Zahn, O. Nagai, D. TI CMB LENSING POWER SPECTRUM BIASES FROM GALAXIES AND CLUSTERS USING HIGH-ANGULAR RESOLUTION TEMPERATURE MAPS SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic background radiation; gravitational lensing: weak; infrared: galaxies; large-scale structure of universe ID SOUTH-POLE TELESCOPE; MICROWAVE BACKGROUND ANISOTROPIES; ATACAMA COSMOLOGY TELESCOPE; STAR-FORMING GALAXIES; SPT-SZ SURVEY; EXTRAGALACTIC SOURCES; DAMPING TAIL; NON-GAUSSIANITY; DARK-MATTER; RECONSTRUCTION AB The lensing power spectrum from cosmic microwave background (CMB) temperature maps will be measured with unprecedented precision with upcoming experiments, including upgrades to the Atacama Cosmology Telescope and the South Pole Telescope. Achieving significant improvements in cosmological parameter constraints, such as percent level errors on sigma(8) and an uncertainty on the total neutrino mass of similar to 50 meV, requires percent level measurements of the CMB lensing power. This necessitates tight control of systematic biases. We study several types of biases to the temperature-based lensing reconstruction signal from foreground sources such as radio and infrared galaxies and the thermal Sunyaev-Zel'dovich effect from galaxy clusters. These foregrounds bias the CMB lensing signal due to their non-Gaussian nature. Using simulations as well as some analytical models we find that these sources can substantially impact the measured signal if left untreated. However, these biases can be brought to the percent level if one masks galaxies with fluxes at 150 GHz above 1 mJy and galaxy clusters with masses above M-vir = 10(14) M circle dot. To achieve such percent level bias, we find that only modes up to a maximum multipole of l(max) similar to 2500 should be included in the lensing reconstruction. We also discuss ways to minimize additional bias induced by such aggressive foreground masking by, for example, exploring a two-step masking and in-painting algorithm. C1 [van Engelen, A.; Sehgal, N.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Bhattacharya, S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Holder, G. P.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Zahn, O.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Dept Phys, Berkeley, CA 94720 USA. [Zahn, O.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. [Nagai, D.] Yale Univ, Dept Astron, Dept Phys, New Haven, CT 06520 USA. [Nagai, D.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. RP van Engelen, A (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. FU CIfAR; NSERC; Canada Research Chairs program FX We thank Blake Sherwin, Duncan Hanson, Sudeep Das, and Olivier Dore for useful discussions. We thank Katrin Heitmann for providing the Coyote simulation run; Thibaut Louis for discussions as well as providing the in-painting code used in Section 7; Tom Crawford for discussions as well as providing code used to process simulations; and Tijmen de Haan for computing support. Closely related work by Osborne et al. (2014) appeared concurrently with this paper, and we thank those authors for useful discussion. This work was supported by CIfAR, NSERC, and the Canada Research Chairs program. NR 93 TC 14 Z9 14 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2014 VL 786 IS 1 AR 13 DI 10.1088/0004-637X/786/1/13 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700013 ER PT J AU Wylezalek, D Vernet, J De Breuck, C Stern, D Brodwin, M Galametz, A Gonzalez, AH Jarvis, M Hatch, N Seymour, N Stanford, SA AF Wylezalek, Dominika Vernet, Joel De Breuck, Carlos Stern, Daniel Brodwin, Mark Galametz, Audrey Gonzalez, Anthony H. Jarvis, Matt Hatch, Nina Seymour, Nick Stanford, Spencer A. TI THE GALAXY CLUSTER MID-INFRARED LUMINOSITY FUNCTION AT 1.3 < z < 3.2 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; galaxies: clusters: general; galaxies: evolution; galaxies: formation; galaxies: high-redshift; galaxies: luminosity function, mass function; techniques: photometric ID STELLAR POPULATION SYNTHESIS; COLOR-MAGNITUDE RELATION; REDSHIFT RADIO GALAXIES; ACTIVE GALACTIC NUCLEI; SOUTH-POLE TELESCOPE; IRAC SHALLOW SURVEY; H-ALPHA EMITTERS; STAR-FORMATION; FUNDAMENTAL-PLANE; HOST GALAXIES AB We present 4.5 mu m luminosity functions for galaxies identified in 178 candidate galaxy clusters at 1.3 < z < 3.2. The clusters were identified as Spitzer/Infrared Array Camera (IRAC) color-selected overdensities in the Clusters Around Radio-Loud AGN project, which imaged 420 powerful radio-loud active galactic nuclei (RLAGNs) at z > 1.3. The luminosity functions are derived for different redshift and richness bins, and the IRAC imaging reaches depths of m* + 2, allowing us to measure the faint end slopes of the luminosity functions. We find that alpha = -1 describes the luminosity function very well in all redshift bins and does not evolve significantly. This provides evidence that the rate at which the low mass galaxy population grows through star formation gets quenched and is replenished by in-falling field galaxies does not have a major net effect on the shape of the luminosity function. Our measurements for m* are consistent with passive evolution models and high formation redshifts (z(f) similar to 3). We find a slight trend toward fainter m* for the richest clusters, implying that the most massive clusters in our sample could contain older stellar populations, yet another example of cosmic downsizing. Modeling shows that a contribution of a star-forming population of up to 40% cannot be ruled out. This value, found from our targeted survey, is significantly lower than the values found for slightly lower redshift, z similar to 1, clusters found in wide-field surveys. The results are consistent with cosmic downsizing, as the clusters studied here were all found in the vicinity of RLAGNs-which have proven to be preferentially located in massive dark matter halos in the richest environments at high redshift-and they may therefore be older and more evolved systems than the general protocluster population. C1 [Wylezalek, Dominika; Vernet, Joel; De Breuck, Carlos] European So Observ, D-85748 Garching, Germany. [Stern, Daniel] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Brodwin, Mark] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA. [Galametz, Audrey] INAF Osservatorio Roma, I-00040 Monte Porzio Catone, Italy. [Gonzalez, Anthony H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Jarvis, Matt] Univ Oxford, Dept Phys, Oxford OX1 3RH, England. [Jarvis, Matt] Univ Western Cape, Dept Phys, ZA-7535 Bellville, South Africa. [Hatch, Nina] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [Seymour, Nick] CASS, Epping, NSW 1710, Australia. [Stanford, Spencer A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, Spencer A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Wylezalek, D (reprint author), European So Observ, Karl Schwarzschildstr 2, D-85748 Garching, Germany. OI Hatch, Nina/0000-0001-5600-0534; Vernet, Joel/0000-0002-8639-8560; Seymour, Nicholas/0000-0003-3506-5536; De Breuck, Carlos/0000-0002-6637-3315 FU ARC Future Fellowship; NASA FX We thank the referee for helpful comments that have improved the manuscript. We gratefully thank Mark Lacy for allowing us to access SERVS images and catalogs and Roberto Assef and Conor Mancone for helpful discussions and advice. N. Seymour is the recipient of an ARC Future Fellowship. This work is based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. NR 61 TC 16 Z9 16 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2014 VL 786 IS 1 AR 17 DI 10.1088/0004-637X/786/1/17 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH0LF UT WOS:000335810700017 ER PT J AU Quaroni, L Zlateva, T Sarafimov, B Kreuzer, HW Wehbe, K Hegg, EL Cinque, G AF Quaroni, Luca Zlateva, Theodora Sarafimov, Blagoj Kreuzer, Helen W. Wehbe, Katia Hegg, Eric L. Cinque, Gianfelice TI Synchrotron based infrared imaging and spectroscopy via focal plane array on live fibroblasts in D2O enriched medium SO BIOPHYSICAL CHEMISTRY LA English DT Article DE Infrared spectromicroscopy; Synchrotron radiation; Single cell; Cell lipid; Isotope tracer; Full-field IR microscopy ID PHASE ESCHERICHIA-COLI; SINGLE CELLS; PROTEIN-PHOSPHORYLATION; INTRACELLULAR WATER; FTIR SPECTROSCOPY; SPECTROMICROSCOPY; MICROSPECTROSCOPY; ISOTOPES; DISEASE; TISSUE AB We successfully tested the viability of using synchrotron-based full-field infrared imaging to study biochemical processes inside living cells. As a model system, we studied fibroblast cells exposed to a medium highly enriched with D2O. We could show that the experimental technique allows us to reproduce at the cellular level measurements that are normally performed on purified biological molecules. We can obtain information about lipid conformation and distribution, kinetics of hydrogen/deuterium exchange, and the formation of concentration gradients of H and O isotopes in water that are associated with cell metabolism. The implementation of the full field technique in a sequential imaging format gives a description of cellular biochemistry and biophysics that contains both spatial and temporal information. (c) 2014 The Authors. Published by Elsevier B.V. C1 [Quaroni, Luca; Zlateva, Theodora; Sarafimov, Blagoj] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Kreuzer, Helen W.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Wehbe, Katia; Cinque, Gianfelice] Diamond Light Source, Chilton OX11 0DE, Oxon, England. [Hegg, Eric L.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. RP Quaroni, L (reprint author), Univ Fribourg, Dept Chem, CH-1700 Fribourg, Switzerland. EM quaroni@bluewin.ch FU Paul Scherrer Institut; European Community [226716, SM5773] FX LQ acknowledges the support for research expenses from the internal funding of the Paul Scherrer Institut. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no 226716 via proposal SM5773 for beamtime allocated at the MIRIAM beamline of Diamond Light Source within the CALIPSO program. NR 36 TC 11 Z9 11 U1 1 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-4622 EI 1873-4200 J9 BIOPHYS CHEM JI Biophys. Chem. PD MAY PY 2014 VL 189 BP 40 EP 48 DI 10.1016/j.bpc.2014.03.002 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical SC Biochemistry & Molecular Biology; Biophysics; Chemistry GA AH4RM UT WOS:000336115700006 PM 24747675 ER PT J AU Li, LC Liu, HH Birkholzer, J Vietor, T AF Li, Lianchong Liu, Hui-Hai Birkholzer, Jens Vietor, Tim TI The use of two-part Hooke's model (TPHM) to model the mine-by test at Mont Terri Site, Switzerland SO COMPUTERS AND GEOTECHNICS LA English DT Article DE Mine-by test; Hooke's law; Constitutive model; Numerical simulation; Opalinus Clay; Mont Terri; TPHM ID EXCAVATION-DISTURBED ZONE; DEPENDENT ELASTIC-MODULI; OPALINUS CLAY; ROCK; STRESS; STRAIN; CRACKS; COMPRESSIBILITY; ANISOTROPY; BEHAVIOR AB The full-scale mine-by (MB) test conducted in 2008 in the Mont Terri underground rock laboratory (Switzerland) investigated the deformation and the coupled hydro-mechanical behavior of the Opalinus Clay in response to tunnel excavations. The Opalinus Clay is currently under investigation in Switzerland as a potential host rock for geologic disposal of high-level radioactive waste. To further improve the understanding and modeling of the coupled processes and their impact on the performance of a geologic repository in Opalinus Clay, a newly developed two-part Hooke's model (TPHM) was implemented into a geomechanical simulator. A three-dimensional simulation model based on the TPHM was then developed to predict the deformation and pore pressure responses in the near field of the MB Niche 2 test at the Mont Terri Site. The usefulness and validity of the TPHM are demonstrated by the consistency between simulation results and field observations. Simulation results show that the pore pressure disturbance becomes visible at about 11 m ahead of the mine-by excavation advancing face (along the longitudinal direction of the MB Niche). The results also demonstrate that there exists a good correlation between the excavation damage zone (EDZ) and the pore-pressure evolution, which may have important practical implications for monitoring EDZ evolution with pore-pressure sensors. The simulation results, which are sensitive to the constitutive relationships used in the model, capture both the observed displacements and the size of the damage zone, whereas the approach based on the conventional Hooke's law underestimates both. The comparison between simulated and observed results also indicates that laboratory-measured mechanical properties can be used to accurately predict field-scale mechanical deformations, as long as valid constitutive relationships are employed. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Li, Lianchong] Dalian Univ Technol, Sch Civil Engn, Dalian 116024, Peoples R China. [Li, Lianchong; Liu, Hui-Hai; Birkholzer, Jens] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Vietor, Tim] Natl Cooperat Disposal Radioact Waste NAGRA, Wettingen, Switzerland. RP Li, LC (reprint author), Dalian Univ Technol, Sch Civil Engn, Dalian 116024, Peoples R China. EM li_lianchong@yahoo.com RI Birkholzer, Jens/C-6783-2011 OI Birkholzer, Jens/0000-0002-7989-1912 FU Lawrence Berkeley National Laboratory; DOE [DE-ACO2-05CH11231] FX The original version of this paper was reviewed by Drs. Marco Bianchi and Dan Hawkes at Lawrence Berkeley National Laboratory. Their constructive comments are appreciated. This work was funded by and conducted for the Used Fuel Disposition Campaign under DOE Contract No. DE-ACO2-05CH11231. NR 46 TC 1 Z9 1 U1 0 U2 11 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 MAY PY 2014 VL 58 BP 28 EP 46 DI 10.1016/j.compgeo.2014.02.001 PG 19 WC Computer Science, Interdisciplinary Applications; Engineering, Geological; Geosciences, Multidisciplinary SC Computer Science; Engineering; Geology GA AH3FV UT WOS:000336010000003 ER PT J AU Martin, RL Haranczyk, M AF Martin, Richard Luis Haranczyk, Maciej TI Construction and Characterization of Structure Models of Crystalline Porous Polymers SO CRYSTAL GROWTH & DESIGN LA English DT Article ID METAL-ORGANIC FRAMEWORKS; HIGH-SURFACE-AREA; MOLECULAR SIMULATIONS; COORDINATION POLYMERS; RETICULAR CHEMISTRY; BUILDING-BLOCKS; NETS; DESIGN; SEPARATIONS; ADSORPTION AB Metal organic frameworks (MOFs) and covalent organic frameworks (COFs) are examples of advanced porous polymeric materials that have emerged in recent years. Their crystalline structure and modular synthesis offer unmatched versatility in their design. By exchanging chemical building blocks, one can both explore the unlimited space of possible structural chemistry within an isoreticular (same crystal topology) series and achieve a wide range of alternative topologies. This reticular paradigm potentially enables the design of structures with any desired porosity and internal surface chemistry. Reliable structure models are typically required in order to predict material properties using a broad spectrum of molecular modeling techniques. In this work, we introduce an algorithm for the assembly of crystalline porous polymer structure models which permits precise control over the underlying topologies of the generated models. This tool has been applied to high-throughput combinatorial structure enumeration and optimization-based automated design. Here, we demonstrate applications of this tool in crystal structure modeling tasks for both MOFs and COFs. Our algorithm is made available within our open source Zeo++ software suite. C1 [Martin, Richard Luis; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, One Cyclotron Rd, Berkeley, CA 94720 USA. EM mharanczyk@lbl.gov RI Martin, Richard/C-7129-2013; Haranczyk, Maciej/A-6380-2014 OI Martin, Richard/0000-0001-9858-2608; Haranczyk, Maciej/0000-0001-7146-9568 FU Center for Applied Mathematics for Energy Research Applications (CAMERA); Basic Energy Sciences (BES); Advanced Scientific Computing Research (ASCR) at the U.S Department of Energy; U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Center for Applied Mathematics for Energy Research Applications (CAMERA), which is a partnership between Basic Energy Sciences (BES) and Advanced Scientific Computing Research (ASCR) at the U.S Department of Energy. Lawrence Berkeley National Laboratory is supported 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 U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 53 TC 17 Z9 17 U1 5 U2 61 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD MAY PY 2014 VL 14 IS 5 BP 2431 EP 2440 DI 10.1021/cg500158c PG 10 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AH1KR UT WOS:000335879500045 ER PT J AU Shukla, AK Ercius, P Gautam, ARS Cabana, J Dahmen, U AF Shukla, A. K. Ercius, P. Gautam, A. R. S. Cabana, J. Dahmen, U. TI Electron Tomography Analysis of Reaction Path during Formation of Nanoporous NiO by Solid State Decomposition SO CRYSTAL GROWTH & DESIGN LA English DT Article ID THERMAL-DECOMPOSITION; NICKEL-HYDROXIDE; MAGNESIUM-HYDROXIDE; ION BATTERIES; MG(OH)2; OXIDE; MGO; NANOSTRUCTURES; TEMPERATURE; MICROSCOPY AB Using transmission electron microscopy, we have analyzed the structure of nanoporous NiO formed by thermal decomposition of Ni(OH)(2). It was found that a tabular single crystal of Ni(OH)(2) transforms pseudomorphically to an array of topotaxially aligned NiO nanocubes separated by nanoscale pores at a volume fraction of about 50%. High-resolution electron tomography on NiO produced by ex situ heating combined with direct in situ observation of the transformation under the electron beam revealed a dramatic redirection of the reaction front when pores are closed by consolidation of NiO nanocubes around the perimeter of the tabular crystals. This causes local changes in the density, structure, and connectivity of the pores. Insights from this study are of broader interest for the class of decomposition reactions that result in nanocrystalline materials with highly tailored porosity and are significant for the development of devices with impact in fields as varied as energy storage, catalysis, and sensing. C1 [Shukla, A. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Ercius, P.; Gautam, A. R. S.; Dahmen, U.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Cabana, J.] Univ Illinois, Dept Chem, Chicago, IL 60612 USA. RP Shukla, AK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM akshukla@lbl.gov RI Cabana, Jordi/G-6548-2012 OI Cabana, Jordi/0000-0002-2353-5986 FU U.S. Department of Energy [DE-AC02-05CH11231]; National Center for Electron Microscopy, Lawrence Berkeley Lab FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program. The authors also acknowledge support of the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 40 TC 4 Z9 4 U1 3 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 MAY PY 2014 VL 14 IS 5 BP 2453 EP 2459 DI 10.1021/cg5001649 PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AH1KR UT WOS:000335879500047 ER PT J AU Zhang, LF Chai, LL Zhang, L Shen, M Zhang, XL Battaglia, VS Stephenson, T Zheng, HH AF Zhang, Longfei Chai, Lili Zhang, Li Shen, Ming Zhang, Xianlin Battaglia, Vincent S. Stephenson, Tyler Zheng, Honghe TI Synergistic effect between lithium bis(fluorosulfonyl)imide (LiFSI) and lithium bis-oxalato borate (LiBOB) salts in LiPF6-based electrolyte for high-performance Li-ion batteries SO ELECTROCHIMICA ACTA LA English DT Article DE Lithium-ion batteries; Electrolyte; Lithium salt; Graphite anode; Lithium iron phosphate ID AL CURRENT COLLECTOR; ELECTROCHEMICAL CHARACTERIZATION; LIQUID ELECTROLYTES; ALUMINUM CORROSION; LIFEPO4 CATHODE; IMIDE SALT; BEHAVIOR; SOLVENTS; ANODES; CELLS AB The effect of Li-salt mixing in Li-ion battery electrolyte based on LiPF6 in ethylene carbonate (EC) and ethyl methyl carbonate (EMC) is investigated. The addition of an appropriate amount of lithium bis(fluorosulfonyl)imide (LiFSI) into the LiPF6-based electrolyte contributes to an electrochemical improvement of the graphite anode. However, the LiFePO4 cathode is difficult to cycle in such an electrolyte due to the severe corrosion of the aluminium current collector by FSI anions. Lithium bis-oxalato borate (LiBOB) is able to passivate Al and suppress the corrosion arising from the FSI anions. An improvement of rate performance and cycling stability for both the LiFePO4 cathode and the graphite anode is obtained in 1.0 mol L-1 LiPF6/EC/EMC electrolyte containing 0.2 mol L-1 LiFSI and 0.2 mol L-1 LiBOB salts. Moreover, an excellent compatibility between the graphite anode and LiFePO4 cathode in the ternarysalt electrolyte system is further confirmed by the full cell tests. The electrochemical performance improvement of the electrolyte resulting from Li-salt mixing provides a new way for optimization of electrolyte for high performance Li-ion batteries. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Zhang, Longfei; Chai, Lili; Zhang, Li; Zheng, Honghe] Soochow Univ, Sch Energy, Suzhou 215006, Jiangsu, Peoples R China. [Shen, Ming; Zhang, Xianlin] Huasheng Chem Corp, Zhangjiagang 215635, Jiangsu, Peoples R China. [Battaglia, Vincent S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Stephenson, Tyler] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2V4, Canada. RP Zhang, L (reprint author), Soochow Univ, Sch Energy, Suzhou 215006, Jiangsu, Peoples R China. EM zhangli81@suda.edu.cn; hhzheng@suda.edu.cn FU Natural Science Foundation of China (NSFS) [51272168, 21203132, 21203134] FX The authors are greatly indebted to the funding of Natural Science Foundation of China (NSFS, contract no. 51272168, 21203132, and 21203134) and grateful for HSC Corporation for providing Li salt specimens. NR 28 TC 13 Z9 14 U1 13 U2 74 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD MAY 1 PY 2014 VL 127 BP 39 EP 44 DI 10.1016/j.electacta.2014.02.008 PG 6 WC Electrochemistry SC Electrochemistry GA AH3FU UT WOS:000336009900006 ER PT J AU Pol, VG Lee, E Zhou, DH Dogan, F Calderon-Moreno, JM Johnson, CS AF Pol, Vilas G. Lee, Eungje Zhou, Dehua Dogan, Fulya Calderon-Moreno, Jose M. Johnson, Christopher S. TI Spherical Carbon as a New High-Rate Anode for Sodium-ion Batteries SO ELECTROCHIMICA ACTA LA English DT Article DE Na-ion batteries; hard carbon; sodium; spherical carbon; anodes sodium; Na; batteries; carbon; graphene; NMR ID ELECTROCHEMICAL INSERTION; RATE CAPABILITY; PETROLEUM COKES; LITHIUM; ELECTRODES; STORAGE; POLYPARAPHENYLENE; ELECTROLYTES; REACTIVITY; GRAPHITE AB Ambient temperature sodium-ion batteries are emerging as a new chemistry platform for energy storage technologies. Anodes that consist of carbon have been used for this application due to their highly stable and reversible Na cycling nature. In the search of new carbon materials with various microstructure morphologies, we have synthesized spherical carbon particles via an autogenic process. Na-23 MAS solid-state NMR characterization method as a function of the state of charge of carbon was used to determine that these spherical carbon anodes show pure, reversible Na intercalation into graphene regions: these materials are devoid of nanocavity or nanopore filling of Na. This feature and the spherical morphology create low reactivity behavior with the electrolyte which assists in the material's highly reversible (de)sodiation. Specific capacity is 40 mAhg(-1) at a high-rate of 10C (1.5 Ag-1) thus demonstrating that the graphene element in hard carbons contributes largely to the rate capability.(c) 2014 Published by Elsevier Ltd. C1 [Pol, Vilas G.; Lee, Eungje; Zhou, Dehua; Dogan, Fulya; Johnson, Christopher S.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, Argonne, IL 60439 USA. [Calderon-Moreno, Jose M.] Acad Romana, Inst Phys Chem Ilie Murgulescu, Bucharest 060021, Romania. RP Johnson, CS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cjohnson@anl.gov RI Calderon Moreno, Jose/B-2867-2008 OI Calderon Moreno, Jose/0000-0001-8376-9082 FU Department of Energy [DE-AC02-06CH11357] FX Funding from the Department of Energy under Contract DE-AC02-06CH11357 is gratefully acknowledged. VP was supported by the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The use of Raman instrumentation at Argonne's Center for Nanoscale Materials was supported by the US DOE, Office of Science, Office of Basic Energy Sciences.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 23 TC 44 Z9 45 U1 18 U2 231 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD MAY 1 PY 2014 VL 127 BP 61 EP 67 DI 10.1016/j.electacta.2014.01.132 PG 7 WC Electrochemistry SC Electrochemistry GA AH3FU UT WOS:000336009900009 ER PT J AU Beck, FR Epur, R Hong, DH Manivannan, A Kumta, PN AF Beck, Faith R. Epur, Rigved Hong, Daeho Manivannan, Ayyakkannu Kumta, Prashant N. TI Microwave Derived Facile Approach to Sn/Graphene Composite Anodes for, Lithium-Ion Batteries SO ELECTROCHIMICA ACTA LA English DT Article DE Graphene; Tin; composite; Li-ion ID HOLLOW CARBON; TIN; PERFORMANCE; OXIDE; HETEROSTRUCTURES; NANOSHEETS; PARTICLES AB Tin particles embedded in graphene (G) sheets have been synthesized by microwave reduction of tin halide (SnCl2.2H(2)O) and graphite oxide (GO) followed by annealing in argon. The microwave reaction resulted in the formation of tin oxide embedded in graphene sheets. Annealing in argon at elevated temperatures initiated carbothermal reduction culminating in the formation of tin decorated graphene sheet composites that were employed as anodes for lithium-ion batteries. X-ray diffraction analysis of the final composite showed the presence of crystalline tin combined with a very small diffraction peak corresponding to (002) plane of graphite. Scanning electron microscopy (SEM) revealed decorated graphene layers with tin droplets. X-ray Photoelectron Spectroscopy (XPS) confirmed the presence of graphene and graphene oxide in the composite. Electrochemical cycling response indicated that the tin/graphene composite exhibited initial discharge capacities varying from 790 mAh/g to 850 mAh/g depending on the composition, while a stable reversible capacity of similar to 500 mAh/g was achieved for optimized compositions when cycled at a current density of similar to 100 mA/g in the voltage window of 0.02 to 1.2V vs. Li+/Li. Carbon coating of the Sn/G composite ultimately achieved by decomposition of dextrose using microwave heating significantly improved the electrochemical cycling stability. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Beck, Faith R.; Epur, Rigved; Kumta, Prashant N.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Beck, Faith R.; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Hong, Daeho; Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Swanson Sch Engn, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA. RP Manivannan, A (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM manivana@netl.doe.gov; pkumta@pitt.edu FU USDOE/ORISE Fellowship; USDOE/NETL [DE-FE0004000] FX This research work was primarily supported by the USDOE/ORISE Fellowship. The authors would like to acknowledge the following contributors for funding: USDOE/NETL: Contract number DE-FE0004000, NSF-CBET 0933141, the Center for Complex Engineered Multifunctional Materials (CCEMM), Swanson School of Engineering, University of Pittsburgh, and the Edward R. Weidlein Chair Professorship Funds. Additionally, the work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No 6951369 under the Batteries for Advanced Transportation Technologies (BATT) Program. NR 36 TC 15 Z9 15 U1 7 U2 114 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD MAY 1 PY 2014 VL 127 BP 299 EP 306 DI 10.1016/j.electacta.2014.02.005 PG 8 WC Electrochemistry SC Electrochemistry GA AH3FU UT WOS:000336009900039 ER PT J AU Goodenough, U Blaby, I Casero, D Gallaher, SD Goodson, C Johnson, S Lee, JH Merchant, SS Pellegrini, M Roth, R Rusch, J Singh, M Umen, JG Weiss, TL Wulan, T AF Goodenough, Ursula Blaby, Ian Casero, David Gallaher, Sean D. Goodson, Carrie Johnson, Shannon Lee, Jae-Hyeok Merchant, Sabeeha S. Pellegrini, Matteo Roth, Robyn Rusch, Jannette Singh, Manmilan Umen, James G. Weiss, Taylor L. Wulan, Tuya TI The Path to Triacylglyceride Obesity in the sta6 Strain of Chlamydomonas reinhardtii SO EUKARYOTIC CELL LA English DT Article ID YEAST YARROWIA-LIPOLYTICA; SACCHAROMYCES-CEREVISIAE; NITROGEN DEPRIVATION; CARBON METABOLISM; STARCHLESS MUTANT; MAXIMUM-LIKELIHOOD; LIPID-ACCUMULATION; ELECTRON-TRANSPORT; GLYOXYLATE CYCLE; GENE-EXPRESSION AB When the sta6 (starch-null) strain of the green microalga Chlamydomonas reinhardtii is nitrogen starved in acetate and then "boosted" after 2 days with additional acetate, the cells become "obese" after 8 days, with triacylglyceride (TAG)-filled lipid bodies filling their cytoplasm and chloroplasts. To assess the transcriptional correlates of this response, the sta6 strain and the starch-forming cw15 strain were subjected to RNA-Seq analysis during the 2 days prior and 2 days after the boost, and the data were compared with published reports using other strains and growth conditions. During the 2 h after the boost, similar to 425 genes are upregulated >= 2-fold and similar to 875 genes are downregulated >= 2-fold in each strain. Expression of a small subset of "sensitive" genes, encoding enzymes involved in the glyoxylate and Calvin-Benson cycles, gluconeogenesis, and the pentose phosphate pathway, is responsive to culture conditions and genetic background as well as to boosting. Four genes-encoding a diacylglycerol acyltransferase (DGTT2), a glycerol-3-P dehydrogenase (GPD3), and two candidate lipases (Cre03.g155250 and Cre17.g735600)-are selectively upregulated in the sta6 strain. Although the bulk rate of acetate depletion from the medium is not boost enhanced, three candidate acetate permease-encoding genes in the GPR1/FUN34/YaaH superfamily are boost upregulated, and 13 of the "sensitive" genes are strongly responsive to the cell's acetate status. A cohort of 64 autophagy-related genes is downregulated by the boost. Our results indicate that the boost serves both to avert an autophagy program and to prolong the operation of key pathways that shuttle carbon from acetate into storage lipid, the combined outcome being enhanced TAG accumulation, notably in the sta6 strain. C1 [Goodenough, Ursula; Goodson, Carrie; Rusch, Jannette; Weiss, Taylor L.; Wulan, Tuya] Washington Univ, Dept Biol, St Louis, MO 63130 USA. [Blaby, Ian; Gallaher, Sean D.; Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA USA. [Casero, David; Pellegrini, Matteo] Univ Calif Los Angeles, Dept Mol Cell & Dev Biol, Los Angeles, CA USA. [Casero, David; Merchant, Sabeeha S.; Pellegrini, Matteo] Univ Calif Los Angeles, Inst Genom & Prote, Los Angeles, CA USA. [Johnson, Shannon] Los Alamos Natl Lab, Los Alamos, NM USA. [Lee, Jae-Hyeok] Univ British Columbia, Dept Bot, Vancouver, BC, Canada. [Roth, Robyn] Washington Univ, Sch Med, Dept Cell Biol, St Louis, MO 63110 USA. [Singh, Manmilan] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Umen, James G.] Danforth Plant Sci Ctr, St Louis, MO USA. RP Goodenough, U (reprint author), Washington Univ, Dept Biol, Campus Box 1137, St Louis, MO 63130 USA. EM goodenough@wustl.edu RI Weiss, Taylor/E-6247-2012; Umen, James/K-9120-2013; OI Weiss, Taylor/0000-0002-3967-0787; Umen, James/0000-0003-4094-9045; Johnson, Shannon/0000-0002-3972-9208; Casero, David/0000-0002-7347-3330 FU National Alliance for Advanced Biofuels and Bioproducts (NAABB) from the U. S. Department of Energy (DOE) [DE-EE0003046]; DOE Office of Science (BER) [DE-FC02-02ER63421, DE-SC0006873]; Korea CCS R&D Center (KCRC), Korean Ministry of Science [2013M1A8A1056300]; National Institutes of Health [T32 ES015457, R24 GM092473] FX This work was supported by contract DE-EE0003046 (to U.G., S.J., S.S.M., and M.P.) via the National Alliance for Advanced Biofuels and Bioproducts (NAABB) from the U. S. Department of Energy (DOE) and by Cooperative Agreement DE-FC02-02ER63421 from the DOE Office of Science (BER) to the Institute of Genomics and Proteomics, UCLA. Support to U.G. from grant DE-SC0006873 from the DOE Office of Science (BER), to J.-H.L. from grant 2013M1A8A1056300 from the Korea CCS R&D Center (KCRC), Korean Ministry of Science, to I.B. from training grant T32 ES015457 from the National Institutes of Health, and to S.D.G. and S.S.M. from grant R24 GM092473 from the National Institutes of Health is acknowledged. NR 73 TC 36 Z9 36 U1 7 U2 54 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 1535-9778 EI 1535-9786 J9 EUKARYOT CELL JI Eukaryot. Cell PD MAY PY 2014 VL 13 IS 5 BP 591 EP 613 DI 10.1128/EC.00013-14 PG 23 WC Microbiology; Mycology SC Microbiology; Mycology GA AH1UY UT WOS:000335907900005 PM 24585881 ER PT J AU Vasudevan, KV Boncher, WL Smith, NA Blair, MW Scott, BL Bennett, BL Hehlen, MP Muenchausen, RE Gordon, JC AF Vasudevan, Kalyan V. Boncher, William L. Smith, Nickolaus A. Blair, Michael W. Scott, Brian L. Bennett, Bryan L. Hehlen, Markus P. Muenchausen, Ross E. Gordon, John C. TI Nitrile- Supported Coordination Polymers of Cerium( III) Bromide SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Coordination polymers; Ionic liquids; Cerium; Lanthanides; Luminescence ID SOLVENT-FREE SYNTHESIS; CROWN ETHER COMPLEXES; SCINTILLATION PROPERTIES; CRYSTAL-STRUCTURE; BENZONITRILE; FRAMEWORKS; ADDUCTS; ER; LN AB A series of nitrile-supported coordination polymers of cerium bromide (CeBr3) are reported, including adducts of trimethylacetonitrile, benzonitrile, and glutaronitrile. The identities of the compounds are established on the basis of single-crystal X-ray diffraction data, and the compounds are further characterized by elemental analysis and photoluminescence. The photoluminescence spectra of the coordination polymers display considerably redshifted emission compared to the characteristic emission of CeBr3 single crystals. C1 [Vasudevan, Kalyan V.; Boncher, William L.; Smith, Nickolaus A.; Blair, Michael W.; Bennett, Bryan L.; Hehlen, Markus P.; Muenchausen, Ross E.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Gordon, John C.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Gordon, JC (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM jgordon@lanl.gov RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Boncher, William/0000-0001-9155-5527 FU G. T. Seaborg Institute at LANL FX The authors would like to gratefully acknowledge the G. T. Seaborg Institute at LANL (fellowship to K. V. V.) for their funding and support of this research. NR 26 TC 3 Z9 3 U1 3 U2 15 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD MAY PY 2014 VL 2014 IS 13 BP 2213 EP 2218 DI 10.1002/ejic.201400030 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AG1SY UT WOS:000335197600005 ER PT J AU Horava, P Mohd, A Melby-Thompson, CM Shawhan, P AF Horava, Petr Mohd, Arif Melby-Thompson, Charles M. Shawhan, Peter TI GR 20 parallel session A3: modified gravity SO GENERAL RELATIVITY AND GRAVITATION LA English DT Review DE Alternative theories of gravity; Einstein-AEther theory; Universal horizons; Horava-Lifshitz gravity; Conformal anomaly; Gravitational-wave data analysis ID TENSOR-SCALAR GRAVITY; GRAVITATIONAL-WAVES; COLLAPSE AB The parallel session (A3), on "Modified Gravity", enjoyed one on the largest number of abstract submissions (over 80), resulting in the selection of 24 oral presentations. The three short papers presented in the following sections are based on the session talks by Arif Mohd on thermodynamics of universal horizons in Einstein-AEther theory, Conformal anomalies in Horava-Lifshitz gravity by Charles Melby-Thompson and detectability of scalar gravitational waves by LIGO and Virgo by Peter Shawhan. They have been selected as a representative sample, to illustrate some of the best in the remarkable and encouraging variety of topics discussed in the session-ranging from highly theoretical, to phenomenological, observational, and experimental-with all these areas playing an integral part in our quest to understand the limits of standard general relativity. C1 [Horava, Petr] Univ Calif Berkeley, Dept Phys, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. [Horava, Petr] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Mohd, Arif] SISSA, I-34014 Trieste, Italy. [Mohd, Arif] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Melby-Thompson, Charles M.] Univ Tokyo, Universe WPI, Kavli Inst Phys & Math, Kashiwa, Chiba 2778583, Japan. [Shawhan, Peter] Univ Maryland, College Pk, MD 20742 USA. RP Horava, P (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. EM horava@berkeley.edu; arif.mohd@sissa.it; charles.melby@ipmu.jp; pshawhan@umd.edu FU World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; U.S. National Science Foundation [PHY-1068549] FX PH would like to thank the organizers of the conference, in particular Bala Iyer and Jerzy Lewandowski, for their superb organizational efforts, and for making our parallel session possible. AM would like to thank Abhay Ashtekar, Bethan Cropp, Ted Jacobson, Stefano Liberati, Thomas Sotiriou and Matt Visser for discussions. CM would like to thank Petr Horava for useful discussions. His work was supported by the World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan. Work by PS et al. was supported by U.S. National Science Foundation grant PHY-1068549. They thank their LIGO Scientific Collaboration and Virgo Collaboration colleagues and Jerome Novak for useful discussions. The GW summary has the identifier LIGO-P1300206-v2. NR 24 TC 5 Z9 5 U1 0 U2 1 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0001-7701 EI 1572-9532 J9 GEN RELAT GRAVIT JI Gen. Relativ. Gravit. PD MAY PY 2014 VL 46 IS 5 AR 1720 DI 10.1007/s10714-014-1720-4 PG 13 WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH3LD UT WOS:000336023900025 ER PT J AU Mandel, I Miller, MC Ahmedov, BJ Bambi, C Berry, CPL Brink, J Brown, D Chaverra, E Chugunov, AI Fairhurst, S Fryer, C Gair, JR Gondek-Rosinska, D Gualtieri, L Gusakov, ME Hannam, M Harry, I Kantor, EM Kluzniak, W Kucaba, M Lukes-Gerakopoulos, G Meheut, H Melatos, A Morozova, VS Paumard, T Stergioulas, N Studzinska, A Szkudlarek, M Straub, O Torok, G Varniere, P Vincent, FH Wisniewicz, M Wildner, M Will, C Yagi, K Zanotti, O Zhou, SY AF Mandel, Ilya Miller, M. Coleman Ahmedov, Bobomurat J. Bambi, Cosimo Berry, Christopher P. L. Brink, Jeandrew Brown, Duncan Chaverra, Eliana Chugunov, A. I. Fairhurst, Stephen Fryer, Chris Gair, Jonathan R. Gondek-Rosinska, Dorota Gualtieri, Leonardo Gusakov, M. E. Hannam, Mark Harry, Ian Kantor, E. M. Kluzniak, Wlodek Kucaba, Marcin Lukes-Gerakopoulos, Georgios Meheut, H. Melatos, Andrew Morozova, Viktoriya S. Paumard, T. Stergioulas, Nikolaos Studzinska, Anna Szkudlarek, Magda Straub, Odele Torok, G. Varniere, P. Vincent, F. H. Wisniewicz, Mateusz Wildner, M. Will, Clifford Yagi, Kent Zanotti, Olindo Zhou, Shuang-Yong TI Relativistic astrophysics at GR20 SO GENERAL RELATIVITY AND GRAVITATION LA English DT Review DE Black holes; Neutron stars; Gravitational waves ID PULSAR GLITCH RECOVERY; NEUTRON-STARS; BLACK-HOLE; GALACTIC-CENTER; ACCRETION; MATTER; MAGNETOSPHERES; EMISSION; BURSTS AB We report the recent advances in Relativistic Astrophysics as presented at the GR20 meeting in Warsaw, Poland, in July 2013. C1 [Mandel, Ilya; Berry, Christopher P. L.] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. [Miller, M. Coleman] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Miller, M. Coleman] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Ahmedov, Bobomurat J.] Inst Nucl Phys, Tashkent 100214, Uzbekistan. [Bambi, Cosimo] Fudan Univ, Dept Phys, Shanghai, Peoples R China. [Berry, Christopher P. L.; Gair, Jonathan R.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Brink, Jeandrew] Univ Stellenbosch, Phys Depertment, Natl Inst Theoret Phys NITheP, ZA-7602 Stellenbosch, South Africa. [Brown, Duncan; Harry, Ian] Syracuse Univ, Syracuse, NY USA. [Chaverra, Eliana] Univ Michoacana, Inst Fis & Matemat, Morelia 58040, Michoacan, Mexico. [Chugunov, A. I.; Gusakov, M. E.; Kantor, E. M.] Russian Acad Sci, Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Fairhurst, Stephen; Hannam, Mark] Cardiff Univ, Cardiff CF10 3AX, S Glam, Wales. [Fryer, Chris] Los Alamos Natl Lab, Los Alamos, NM USA. [Gondek-Rosinska, Dorota; Kucaba, Marcin; Studzinska, Anna; Szkudlarek, Magda; Wisniewicz, Mateusz] Univ Zielona Gora, Inst Astron, PL-65265 Zielona Gora, Poland. [Gualtieri, Leonardo] Univ Roma La Sapienza, I-00185 Rome, Italy. [Gualtieri, Leonardo] Ist Nazl Fis Nucl, I-00185 Rome, Italy. [Kantor, E. M.] St Petersburg State Polytech Univ, St Petersburg 195251, Russia. [Kluzniak, Wlodek] Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Lukes-Gerakopoulos, Georgios] Univ Jena, Inst Theoret Phys, D-07743 Jena, Germany. [Meheut, H.] CEA, Irfu, SAp, Ctr Saclay, F-91191 Gif Sur Yvette, France. [Melatos, Andrew] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Morozova, Viktoriya S.; Zanotti, Olindo] Max Planck Inst Gravitat Phys, Albert Einstein Inst, D-14476 Potsdam, Germany. [Paumard, T.] Univ Paris Diderot, Univ Paris 06, CNRS, LESIA,Observ Paris, F-92190 Meudon, France. [Stergioulas, Nikolaos] Aristotle Univ Thessaloniki, Dept Phys, Thessaloniki 54124, Greece. [Straub, Odele] Univ Paris Diderot, Observ Paris, LUTH, CNRS UMR 8102, F-92190 Meudon, France. [Torok, G.; Wildner, M.] Silesian Univ Opava, Inst Phys, Fac Philosophy & Sci, Opava 74601, Czech Republic. [Varniere, P.] Univ Paris Diderot, AstroParticule & Cosmol APC, F-75205 Paris 13, France. [Vincent, F. H.] Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Will, Clifford] Univ Florida, Inst Astrophys Paris, Gainesville, FL USA. [Yagi, Kent] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Zanotti, Olindo] Univ Trento, Lab Matemat Applicata, I-38100 Trento, Italy. [Zhou, Shuang-Yong] SISSA, I-34136 Trieste, Italy. [Zhou, Shuang-Yong] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. RP Mandel, I (reprint author), Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. EM imandel@star.sr.bham.ac.uk RI Chugunov, Andrey/E-2061-2014; OI Fairhurst, Stephen/0000-0001-8480-1961; Gualtieri, Leonardo/0000-0002-1097-3266; Berry, Christopher/0000-0003-3870-7215 NR 45 TC 0 Z9 0 U1 1 U2 6 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0001-7701 EI 1572-9532 J9 GEN RELAT GRAVIT JI Gen. Relativ. Gravit. PD MAY PY 2014 VL 46 IS 5 AR 1688 DI 10.1007/s10714-014-1688-0 PG 15 WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AH3LD UT WOS:000336023900005 ER PT J AU Park, B Jung, IW Provine, J Gellineau, A Landry, J Howe, RT Solgaard, O AF Park, Bryan Jung, Il Woong Provine, J. Gellineau, Antonio Landry, Joe Howe, Roger T. Solgaard, Olav TI Double-Layer Silicon Photonic Crystal Fiber-Tip Temperature Sensors SO IEEE PHOTONICS TECHNOLOGY LETTERS LA English DT Article DE Double-layer photonic crystal; fiber sensor; GOPHER; temperature sensing; template-assisted epoxy bonding ID REFRACTIVE-INDEX; WAVELENGTH AB This letter describes the manufacture and performance of a monolithic double-layer silicon photonic crystal temperature sensor. The sensor is fabricated on standard silicon wafers using oxide passivation and a combination of isotropic and anisotropic etching, and mounted on the facet of a standard single-mode optical fiber using template-assisted epoxy bonding. The double-layer configuration leads to coupling of the guided resonances in the two photonic crystals and enables sharper resonances and consequently higher temperature sensitivity and better detection limit (0.011 degrees C) than the single-layer counterpart. We experimentally demonstrate that the sensor has a twofold increased temperature sensitivity in terms of reflectivity change at a fixed wavelength (-0.00576/degrees C), and report on electromagnetic simulations explaining the enhanced sensor operation. The photonic crystal fabrication method and template-assisted bonding enable batch-fabrication of the sensors. Their small size, robust construction, and fiber interface make the sensors promising for numerous applications, including sensing in harsh environments. C1 [Park, Bryan; Provine, J.; Gellineau, Antonio; Landry, Joe; Howe, Roger T.; Solgaard, Olav] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. [Jung, Il Woong] Argonne Natl Lab, Argonne, IL 60439 USA. RP Park, B (reprint author), Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. EM insun@stanford.edu; ijung@anl.gov; jprovine@stanford.edu; arion@stanford.edu; jlandry@stanford.edu; rthowe@stanford.edu; solgaard@stanford.edu FU Defense Advanced Research Projects Agency N/MEMS S&T Fundamentals Program through Space and Naval Warfare Systems Center Pacific [N66001-10-1-4004]; Boeing Company [33130] FX This work was supported in part by the Defense Advanced Research Projects Agency N/MEMS S&T Fundamentals Program under Grant N66001-10-1-4004 through the Space and Naval Warfare Systems Center Pacific, and in part by the Boeing Company under Contract 33130. NR 15 TC 4 Z9 4 U1 0 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1041-1135 EI 1941-0174 J9 IEEE PHOTONIC TECH L JI IEEE Photonics Technol. Lett. PD MAY 1 PY 2014 VL 26 IS 9 BP 900 EP 903 DI 10.1109/LPT.2014.2309345 PG 4 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA AH0OJ UT WOS:000335819300003 ER PT J AU Feng, Z McFarlane, SA Schumacher, C Ellis, S Comstock, J Bharadwaj, N AF Feng, Zhe McFarlane, Sally A. Schumacher, Courtney Ellis, Scott Comstock, Jennifer Bharadwaj, Nitin TI Constructing a Merged Cloud-Precipitation Radar Dataset for Tropical Convective Clouds during the DYNAMO/AMIE Experiment at Addu Atoll SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article DE Cloud microphysics; Radars/Radar observations; Convective clouds; Clouds; Cloud radiative effects; Cloud retrieval ID MADDEN-JULIAN OSCILLATION; INTRASEASONAL VARIABILITY; PART I; RADIATION; CLIMATE; MONSOON; SUMMER; MJO; IDENTIFICATION; CAPABILITIES AB To improve understanding of the convective processes key to the Madden-Julian oscillation (MJO) initiation, the Dynamics of the MJO (DYNAMO) and the Atmospheric Radiation Measurement Program (ARM) MJO Investigation Experiment (AMIE) collected 4 months of observations from three radars-the S-band dual-polarization Doppler radar (S-Pol), the C-band Shared Mobile Atmospheric Research and Teaching Radar (SMART-R), and Ka-band ARM zenith radar (KAZR)-along with radiosonde and comprehensive surface meteorological instruments on Addu Atoll, Maldives, in the tropical Indian Ocean. One DYNAMO/AMIE hypothesis suggests that the evolution of shallow and congestus cloud populations is essential to the initiation of the MJO. This study focuses on evaluating the ability of these three radars to document the full spectrum of cloud populations and to construct a merged cloud-precipitation radar dataset that can be used to test this hypothesis. Comparisons between collocated observations from the three radars show that KAZR provides the only reliable estimate of shallow clouds, while S-Pol/SMART-R can reasonably detect congestus within the 30-50-km range in addition to precipitating deep clouds. On the other hand, KAZR underestimates cloud-top heights due to rainfall attenuation in ~34% of the precipitating clouds, and an empirical method to correct KAZR cloud-top height bias is proposed. Finally, a merged KAZR-S-Pol dataset is produced to provide improved cloud-top height estimates, total hydrometeor microphysics, and radiative heating rate retrievals. With this dataset the full spectrum of tropical convective clouds during DYNAMO/AMIE can be reliably constructed and, together with complimentary radiosonde data, it can be used to study the role of shallow and congestus clouds in the initiation of the MJO. C1 [Feng, Zhe; McFarlane, Sally A.; Comstock, Jennifer; Bharadwaj, Nitin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Schumacher, Courtney] Texas A&M Univ, Dept Atmospher Sci, Collage Stn, TX USA. [Ellis, Scott] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Feng, Z (reprint author), Pacific NW Natl Lab, POB 999,MS K9-24, Richland, WA 99352 USA. EM zhe.feng@pnnl.gov RI Feng, Zhe/D-9531-2013; Schumacher, Courtney/B-8968-2011; Feng, Zhe/E-1877-2015 OI Schumacher, Courtney/0000-0003-3612-485X; Feng, Zhe/0000-0002-7540-9017 FU U.S. Department of Energy under the Atmospheric System Research Program; U.S. Department of Energy [DE-AC06-76RLO1830] FX The authors thank Drs. Jim Mather and Laura Riihimaki for their suggestions, three anonymous reviewers in their thorough comments and constructive criticisms, Dr. Robert Houze and Stacy Brodzik for their help in processing the S-Pol data, and Elizabeth Thompson for providing the relationship in raindrop size distribution from the 2D-video disdrometer. This work is supported by the U.S. Department of Energy under the Atmospheric System Research Program. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC06-76RLO1830. NR 53 TC 19 Z9 19 U1 3 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 EI 1520-0426 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD MAY PY 2014 VL 31 IS 5 BP 1021 EP 1042 DI 10.1175/JTECH-D-13-00132.1 PG 22 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA AH1LF UT WOS:000335881600001 ER PT J AU Zalupski, PR McDowell, R Clegg, SL AF Zalupski, Peter R. McDowell, Rocklan Clegg, Simon L. TI Isopiestic Determination of the Osmotic Coefficients of NaNO3 + Eu(NO3)(3) + H2O at 298.15 K and Representation with an Extended Ion-Interaction (Pitzer) Model SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID THERMODYNAMIC PROPERTIES; SYSTEM NA+-CL--NO3--SO42--H2O; HIGH SUPERSATURATION; AQUEOUS-SOLUTIONS; SODIUM-NITRATE; ELECTROLYTES; 25-DEGREES-C; AEROSOLS AB Isopiestic vapor pressures were measured at 298.15 K for aqueous NaNO3 + Eu(NO3)(3) solutions, using NaCl(aq) as the reference standard. Measurements were made for both binary (single salt) solutions and for ternary solutions of the following NaNO3 ionic strength fractions: 0.05995, 0.08749, 0.16084; 0.27709, and 0.36313 over the water activity range 0.8951 <= a(w) <= 0.9832. (These ionic strength fractions correspond to NaNO3 molality fractions 0.27675, 0.36519, 0.53489, 0.69695, and 0.77381, respectively.) The results, and those of other studies for the two pure aqueous solutions, were used to determine the Pitzer model parameters for aqueous Eu(NO3)(3) for molalities up to 3 mol kg(-1) and the two ternary (mixture) parameters theta(Eu,Na) = 0.367 +/- 0.0035 and psi(Eu,Na,NO3) = -0.0743 +/- 0.0014. Some deviations of the measurements from the fitted model, of the order of +0.0075 in the osmotic coefficient, were noted for mixtures containing less than about 1 mol kg(-1) total NO3-. The use of the mixture parameters in the Pitzer model yields predicted trace activity coefficients of Eu3+ in 1 mol kg(-1) aqueous NaNO3 almost a factor of 2 greater than if they are omitted. C1 [Zalupski, Peter R.; McDowell, Rocklan] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Clegg, Simon L.] Univ E Anglia, Sch Environm Sci, Norwich NR4 7TJ, Norfolk, England. RP Zalupski, PR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM peter.zalupski@inl.gov; s.clegg@uea.ac.uk FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-051D14517]; Idaho National Laboratory, Fuel Cycle Research and Development program (FCR&D), U.S. DOE, Office of Nuclear Energy [108186] FX The work by P.R.Z. and R.M. was supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-051D14517. The work by S.L.C. was supported under Subcontract No. 108186 with the Idaho National Laboratory, Fuel Cycle Research and Development program (FCR&D), U.S. DOE, Office of Nuclear Energy. NR 24 TC 3 Z9 3 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD MAY PY 2014 VL 59 IS 5 BP 1574 EP 1582 DI 10.1021/je500016d PG 9 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA AH1KF UT WOS:000335878300026 ER PT J AU Junghans, C Perez, D Vogel, T AF Junghans, Christoph Perez, Danny Vogel, Thomas TI Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang-Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-OF-STATES; MONTE-CARLO; FREE-ENERGY; PHASE-TRANSITIONS; GAUSSIAN ENSEMBLE; SIMULATIONS; ALGORITHM; EFFICIENT AB We show a direct formal relationship between the Wang-Landau iteration [PRL 86, 2050 (2000], metadynamics [PNAS 99, 12562 (2002)], and statistical temperature molecular dynamics (STMD) [PRL 97, 050601 (2006)] that are the major work-horses for sampling from generalized ensembles. We demonstrate that STMD, itself derived from the Wang-Landau method, can be made indistinguishable from metadynamics. We also show that Gaussian kernels significantly improve the performance of STMD, highlighting the practical benefits of this improved formal understanding. C1 [Junghans, Christoph; Perez, Danny; Vogel, Thomas] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM 87545 USA. RP Vogel, T (reprint author), Los Alamos Natl Lab, Theoret Div T1, POB 1663, Los Alamos, NM 87545 USA. EM tvogel@lanl.gov RI Junghans, Christoph/G-4238-2010; Vogel, Thomas/A-7570-2014 OI Junghans, Christoph/0000-0003-0925-1458; Vogel, Thomas/0000-0003-0205-3205 FU Los Alamos National Laboratory's (LANL) Laboratory Directed Research and Development ER program; LANL Director's fellowship; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX We thank A.F. Voter for discussions during the entire project and Y.W. Li, L. Vernon, J. Kim, J.E. Straub, and T. Keyes for critical reading of the manuscript. TV and DP acknowledge funding by Los Alamos National Laboratory's (LANL) Laboratory Directed Research and Development ER program, and CJ by a LANL Director's fellowship. Assigned: LA-UR 13-29519. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under Contract DE-AC52-06NA25396. NR 38 TC 17 Z9 17 U1 0 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAY PY 2014 VL 10 IS 5 BP 1843 EP 1847 DI 10.1021/ct500077d PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH3JV UT WOS:000336020400002 PM 26580515 ER PT J AU Egger, DA Weissman, S Refaey-Abramson, S Sharifzadeh, S Dauth, M Baer, R Kummel, S Neaton, JB Zojer, E Kronik, L AF Egger, David A. Weissman, Shira Refaey-Abramson, Sivan Sharifzadeh, Sahar Dauth, Matthias Baer, Roi Kuemmel, Stephan Neaton, Jeffrey B. Zojer, Egbert Kronik, Leeor TI Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY; GENERALIZED-GRADIENT-APPROXIMATION; SELF-INTERACTION CORRECTION; SHAM ORBITAL ENERGIES; AB-INITIO CALCULATION; DENSITY FUNCTIONALS; HARTREE-FOCK; DERIVATIVE DISCONTINUITIES; OPTICAL-PROPERTIES; GREENS-FUNCTION AB Density functional theory with optimally tuned range-separated hybrid (OT-RSH) functionals has been recently suggested [Refaely-Abramson et al. Phys. Rev. Lett. 2012, 109, 226405] as a nonempirical approach to predict the outer-valence electronic structure of molecules with the same accuracy as many-body perturbation theory. Here, we provide a quantitative evaluation of the OT-RSH approach by examining its performance in predicting the outer-valence electron spectra of several prototypical gas-phase molecules, from aromatic rings (benzene, pyridine, and pyrimidine) to more complex organic systems (terpyrimidinethiol and copper phthalocyanine). For a range up to several electronvolts away from the frontier orbital energies, we find that the outer-valence electronic structure obtained from the OT-RSH method agrees very well (typically within similar to 0.1-0.2 eV) with both experimental photoemission and theoretical many-body perturbation theory data in the GW approximation. In particular, we find that with new strategies for an optimal choice of the short-range fraction of Fock exchange, the OT-RSH approach offers a balanced description of localized and delocalized states. We discuss in detail the sole exception found-a high-symmetry orbital, particular to small aromatic rings, which is relatively deep inside the valence state manifold. Overall, the OT-RSH method is an accurate DFT-based method for outer-valence electronic structure prediction for such systems and is of essentially the same level of accuracy as contemporary GW approaches, at a reduced computational cost. C1 [Egger, David A.; Zojer, Egbert] Graz Univ Technol, Inst Solid State Phys, A-8010 Graz, Austria. [Egger, David A.; Weissman, Shira; Refaey-Abramson, Sivan; Kronik, Leeor] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. [Sharifzadeh, Sahar; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Dauth, Matthias; Kuemmel, Stephan] Univ Bayreuth, D-95440 Bayreuth, Germany. [Baer, Roi] Hebrew Univ Jerusalem, Inst Chem, Fritz Haber Ctr Mol Dynam, IL-91904 Jerusalem, Israel. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. RP Refaey-Abramson, S (reprint author), Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. EM sivan.abramson@weizmann.ac.il; leeor.kronik@weizmann.ac.il RI Kummel, Stephan/K-5634-2014; Zojer, Egbert/B-3265-2010; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Egger, David/M-8926-2015; Sharifzadeh, Sahar/P-4881-2016; OI Zojer, Egbert/0000-0002-6502-1721; Neaton, Jeffrey/0000-0001-7585-6135; Sharifzadeh, Sahar/0000-0003-4215-4668; Kummel, Stephan/0000-0001-5914-6635 FU Austrian Academy of Sciences; Adams fellowship of the Israel Academy of Sciences and Humanities; European Research Council; Israel Science Foundation; United States-Israel Binational Science Foundation; Germany-Israel Foundation; Wolfson Foundation; Hemlsley Foundation; Austrian Science Fund (FWF) [P24666-N20]; German Science Foundation [DFG/GRK 1640]; Molecular Foundry; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Theory FWP) [DE-AC02-05CH11231]; Scientific Discovery through Advanced Computing (SciDAC) Partnership program - U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy FX D.A.E. was partially supported through a DOC fellowship by the Austrian Academy of Sciences. S.R.A. is supported by an Adams fellowship of the Israel Academy of Sciences and Humanities. Portions of this work were supported by the European Research Council, the Israel Science Foundation, the United States-Israel Binational Science Foundation, the Germany-Israel Foundation, the Wolfson Foundation, the Hemlsley Foundation, the Austrian Science Fund (FWF): P24666-N20, the German Science Foundation (DFG/GRK 1640) and the Molecular Foundry. J.B.N was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Theory FWP) under Contract No. DE-AC02-05CH11231. S.S. was partially supported by the Scientific Discovery through Advanced Computing (SciDAC) Partnership program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Work performed at the Molecular Foundry was also supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy. We thank the National Energy Research Scientific Computing center for computational resources. NR 141 TC 39 Z9 39 U1 1 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAY PY 2014 VL 10 IS 5 BP 1934 EP 1952 DI 10.1021/ct400956h PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH3JV UT WOS:000336020400013 ER PT J AU Small, DW Lawler, KV Head-Gordon, M AF Small, David W. Lawler, Keith V. Head-Gordon, Martin TI Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the Acenes SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID PLESSET PERTURBATION-THEORY; HARTREE-FOCK METHOD; CONFIGURATION-INTERACTION METHOD; MATRIX RENORMALIZATION-GROUP; MANY-ELECTRON WAVEFUNCTIONS; DETERMINANT WAVE-FUNCTIONS; DENSITY-FUNCTIONAL THEORY; GEMINAL MODEL CHEMISTRY; SELF-CONSISTENT-FIELD; AB-INITIO AB We describe an efficient implementation of the coupled cluster valence bond (CCVB) model. CCVB captures a certain essential part of the description of molecules with strong correlations (SC), which allows it to achieve correct energy profiles when covalent bonds are broken, while maintaining proper spin symmetry and size extensivity. To illustrate treatment of SC in bond breaking, we examine the symmetric dissociation of the sulfur allotropes S-6 and S-8 into triplet S atoms. To show applicability to larger systems and to explore whether CCVB can capture aspects of SC that arise in extended pi systems, we report results for a series of acenes up to 12 fused benzene rings, with active spaces of up to 228 correlated electrons. The lowest-energy CCVB solutions found for two of the largest acenes show signatures consistent with multi-electron SC and partial delocalization. C1 [Small, David W.; Lawler, Keith V.; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Small, David W.; Lawler, Keith V.; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Small, DW (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM dsmall@berkeley.edu FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, U.S. Department of Energy [DE-AC0376SF00098] FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, U.S. Department of Energy under Contract DE-AC0376SF00098. NR 115 TC 14 Z9 14 U1 2 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 MAY PY 2014 VL 10 IS 5 BP 2027 EP 2040 DI 10.1021/ct500112y PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH3JV UT WOS:000336020400020 PM 26580529 ER PT J AU Huang, YH Goldey, M Head-Gordon, M Beran, GJO AF Huang, Yuanhang Goldey, Matthew Head-Gordon, Martin Beran, Gregory J. O. TI Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Moller-Plesset Perturbation Theory with Coupled Kohn-Sham Dispersion SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-CRYSTAL POLYMORPHISM; ELECTRON-ELECTRON INTERACTION; BASIS-SETS; INTERACTION ENERGIES; WAVE-FUNCTION; NONCOVALENT INTERACTION; QUANTUM-CHEMISTRY; MP2; RESOLUTION AB The dispersion-corrected second-order Moller-Plesset perturbation theory (MP2C) approach accurately describes intermolecular interactions in many systems. MP2C, however, expends much computational effort to compute the long-range correlation with MP2, only to discard and replace those contributions with a simpler long-range dispersion correction based on intermolecular perturbation theory. Here, we demonstrate that one can avoid calculating the long-range MP2 correlation by attenuating the Coulomb operator, allowing the dispersion correction to handle the long-range interactions inexpensively. With relatively modest Coulomb attenuation, one obtains results that are very similar to those from conventional MP2C. With more aggressive attenuation, one can remove just enough short-range repulsive exchange-dispersion interactions to compensate for finite basis set errors. Doing so makes it possible to approach complete basis set limit quality results with only an aug-cc-pVTZ basis, resulting in substantial computational savings. Further computational savings could be achieved by reformulating the MP2C algorithm to exploit the increased sparsity of the two-electron integrals. C1 [Huang, Yuanhang; Beran, Gregory J. O.] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Goldey, Matthew; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Goldey, Matthew; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Beran, GJO (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM gregory.beran@ucr.edu FU National Science Foundation [CHE-1112568]; Department of Energy [DE-AC02-05CH11231] FX Funding for this work from the National Science Foundation (CHE-1112568, G.B. and Y.H.), Department of Energy (DE-AC02-05CH11231, M.G. and M.H.G), and supercomputer time from XSEDE (TG-CHE110064, G.B. and Y.H.) are gratefully acknowledged. We also thank Prof. Pavel Hobza for sharing benchmark data for the S22 x 5 test set. NR 86 TC 9 Z9 9 U1 1 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 MAY PY 2014 VL 10 IS 5 BP 2054 EP 2063 DI 10.1021/ct5002329 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH3JV UT WOS:000336020400023 PM 26580532 ER PT J AU Daily, MD Olsen, BN Schlesinger, PH Ory, DS Baker, NA AF Daily, Michael D. Olsen, Brett N. Schlesinger, Paul H. Ory, Daniel S. Baker, Nathan A. TI Improved Coarse-Grained Modeling of Cholesterol-Containing Lipid Bilayers SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; X-RAY-SCATTERING; FORCE-FIELD; MEMBRANE-STRUCTURE; ORDER PARAMETERS; CELL-MEMBRANES; PHOSPHATIDYLCHOLINE; STATE; PHOSPHOLIPIDS; THICKNESS AB Cholesterol trafficking, which is an essential function in mammalian cells, is intimately connected to molecular-scale interactions through cholesterol modulation of membrane structure and dynamics and interaction with membrane receptors. Since these effects of cholesterol occur on micro- to millisecond time scales, it is essential to develop accurate coarse-grained simulation models that can reach these time scales. Cholesterol has been shown experimentally to thicken the membrane and increase phospholipid tail order between 0 and 40% cholesterol, above which these effects plateau or slightly decrease. Here, we showed that the published MARTINI coarse-grained force-field for phospholipid (POPC) and cholesterol fails to capture these effects. Using reference atomistic simulations, we systematically modified POPC and cholesterol bonded parameters in MARTINI to improve its performance. We showed that the corrections to pseudobond angles between glycerol and the lipid tails and around the oleoyl double bond particle (the "angle-corrected model") slightly improves the agreement of MARTINI with experimentally measured thermal, elastic, and dynamic properties of POPC membranes. The angle-corrected model improves prediction of the thickening and ordering effects up to 40% cholesterol but overestimates these effects at higher cholesterol concentration. In accordance with prior work that showed the cholesterol rough face methyl groups are important for limiting cholesterol self-association, we revised the coarse-grained representation of these methyl groups to better match cholesterol-cholesterol radial distribution functions from atomistic simulations. In addition, by using a finer-grained representation of the branched cholesterol tail than MARTINI, we improved predictions of lipid tail order and bilayer thickness across a wide range of concentrations. Finally, transferability testing shows that a model incorporating our revised parameters into DOPC outperforms other CG models in a DOPC/cholesterol simulation series, which further argues for its efficacy and generalizability. These results argue for the importance of systematic optimization for coarse-graining biologically important molecules like cholesterol with complicated molecular structure. C1 [Daily, Michael D.; Baker, Nathan A.] Pacific NW Natl Lab, Computat & Stat Analyt Div, Richland, WA 99336 USA. [Olsen, Brett N.; Ory, Daniel S.] Washington Univ Sch Med, Diabet Cardiovasc Dis Ctr, Dept Med, St Louis, MO 63110 USA. [Schlesinger, Paul H.] Washington Univ Sch Med, Dept Cell Biol & Physiol, St Louis, MO 63110 USA. RP Baker, NA (reprint author), Pacific NW Natl Lab, Computat & Stat Analyt Div, Richland, WA 99336 USA. EM nathan.baker@pnl.gov RI Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 FU [R01 HL067773]; [U01 NS073457] FX Support for this work was provided by R01 HL067773 and U01 NS073457. We would like to thank Tiago Ferreira for providing us with POPC order parameter data as a function of cholesterol from his recent paper and Peter Tieleman and Doug Covey for helpful discussions. NR 76 TC 9 Z9 9 U1 3 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAY PY 2014 VL 10 IS 5 BP 2137 EP 2150 DI 10.1021/ct401028g PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH3JV UT WOS:000336020400031 PM 24910542 ER PT J AU Matlack, KH Kim, JY Wall, JJ Qu, J Jacobs, LJ Sokolov, MA AF Matlack, K. H. Kim, J. -Y. Wall, J. J. Qu, J. Jacobs, L. J. Sokolov, M. A. TI Sensitivity of ultrasonic nonlinearity to irradiated, annealed, and re-irradiated microstructure changes in RPV steels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID PRESSURE-VESSEL STEELS; ACOUSTIC HARMONIC-GENERATION; FATIGUE DAMAGE; EMBRITTLEMENT; WAVES; SANS AB The planned life extension of nuclear reactors throughout the US and abroad will cause reactor vessel and internals materials to be exposed to more neutron irradiation than was originally intended. A nonde-structive evaluation (NDE) method to monitor radiation damage would enable safe and cost-effective continued operation of nuclear reactors. Radiation damage in reactor pressure vessel (RPV) steels causes microstructural changes that leave the material in an embrittled state. Nonlinear ultrasound is an NDE technique quantified by the measurable acoustic nonlinearity parameter, which is sensitive to microstructural changes in metallic materials such as dislocations, precipitates and their combinations. Recent research has demonstrated the sensitivity of the acoustic nonlinearity parameter to increasing neutron fluence in representative RPV steels. The current work considers nonlinear ultrasonic experiments conducted on similar RPV steel samples that had a combination of irradiation, annealing, re-irradiation, and/or re-annealing to a total neutron fluence of 0.5-5 x 10(19) n/cm(2) (E > 1 MeV) at an irradiation temperature of 290 degrees C. The acoustic nonlinearity parameter generally increased with increasing neutron fluence, and consistently decreased from the irradiated to the annealed state over different levels of neutron fluence. Results of the measured acoustic nonlinearity parameter are compared with those from previous measurements on other RPV steel samples. This comprehensive set of results illustrates the dependence of the measured acoustic nonlinearity parameter on neutron fluence, material composition, irradiation temperature and annealing. (C) 2014 Elsevier B.V. All rights reserved. C1 [Matlack, K. H.; Wall, J. J.; Jacobs, L. J.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Kim, J. -Y.; Jacobs, L. J.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Wall, J. J.] Elect Power Res Inst, Charlotte, NC 28262 USA. [Qu, J.] Northwestern Univ, Dept Civil & Environm Engn, Evanston, IL 60208 USA. [Sokolov, M. A.] Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Matlack, KH (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM katie.matlack@gatech.edu RI Qu, Jianmin/E-3521-2010; Kim, Jin-Yeon/C-2179-2008; OI Kim, Jin-Yeon/0000-0002-5518-0032; Matlack, Kathryn/0000-0001-7387-2414; Jacobs, Laurence/0000-0002-0358-7973 FU DOE Office of Nuclear Energy's Nuclear Energy University Programs; Electric Power Research Institute (EPRI); National Science Foundation FX The authors thank the staff at Oak Ridge National Laboratory for assistance in preparing and handling the irradiated materials. This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs. Additional funding has been provided by the Electric Power Research Institute (EPRI). This work was also supported by the National Science Foundation through a Graduate Research Fellowship to Kathryn Matlack. NR 36 TC 10 Z9 11 U1 1 U2 24 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 MAY PY 2014 VL 448 IS 1-3 BP 26 EP 32 DI 10.1016/j.jnucmat.2014.01.038 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400005 ER PT J AU McKeown, JT Hsiung, LL Ryu, HJ Park, JM Turchi, PEA King, WE AF McKeown, Joseph T. Hsiung, Luke L. Ryu, Ho Jin Park, Jong Man Turchi, Patrice E. A. King, Wayne E. TI Rapidly solidified U-6 wt%Nb powders for dispersion-type nuclear fuels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID INERT MATRIX FUEL; U-NB; CENTRIFUGAL ATOMIZATION; PHASE-TRANSFORMATIONS; METASTABLE PHASES; URANIUM ALLOYS; ZIRCONIUM; SYSTEM; INTERFACE; NIOBIUM AB The microstructures of U-6 wt%Nb powder particles were investigated to assess their use as a distributed fuel phase in dispersion-type nuclear fuels. The powder was produced by centrifugal atomization, leading to rapid solidification of the molten alloy particles. The microstructure of the solidified particles consisted of a dendritic structure comprising metastable alpha-phase-related dendrites and interdendritic metastable gamma(0) phase formation. The relationship between the observed microstructure and processing conditions are discussed. (C) 2014 Elsevier B.V. All rights reserved. C1 [McKeown, Joseph T.; Hsiung, Luke L.; Turchi, Patrice E. A.; King, Wayne E.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Ryu, Ho Jin] Korea Adv Inst Sci & Technol, Taejon 305701, South Korea. [Park, Jong Man] Korea Atom Energy Res Inst, Taejon 305353, South Korea. RP McKeown, JT (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM mckeown3@llnl.gov RI RYU, HO JIN/J-2764-2013 OI RYU, HO JIN/0000-0002-3387-7381 FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [13-SI-002] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344. Work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-SI-002. NR 41 TC 3 Z9 3 U1 2 U2 14 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 MAY PY 2014 VL 448 IS 1-3 BP 72 EP 79 DI 10.1016/j.jnucmat.2014.01.033 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400011 ER PT J AU Hu, XX Terrani, KA Wirth, BD AF Hu, Xunxiang Terrani, Kurt A. Wirth, Brian D. TI Hydrogen desorption kinetics from zirconium hydride and zirconium metal in vacuum SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HIGH-TEMPERATURES; ALLOYS; FUEL; ABSORPTION; DIFFUSION; BEHAVIOR; HELIUM; IRON AB kinetics of hydrogen desorption from zirconium hydride is important in many nuclear design and safety applications. In this paper, a coordinated experimental and modeling study has been used to explicitly demonstrate the applicability of existing kinetic theories for hydrogen desorption from zirconium hydride and alpha-zirconium. A static synthesis method was used to produce delta-zirconium hydride, and the crystallographic phases of the zirconium hydride were confirmed by X-ray diffraction (XRD). Three obvious stages, involving delta-zirconium hydride, a two-phase region, and a-zirconium, were observed in the hydrogen desorption spectra of two zirconium hydride specimens with H/Zr ratios of 1.62 and 1.64, respectively, which were obtained using thermal desorption spectroscopy (TDS). A continuous, one-dimensional, two-phase moving boundary model, coupled with the zero- and second-order kinetics of hydrogen desorption from delta-zirconium hydride and alpha-zirconium, respectively, has been developed to reproduce the TDS experimental results. A comparison of the modeling predictions with the experimental results indicates that a zero-order kinetic model is valid for description of hydrogen flux away from the delta-hydride phase, and that a second-order kinetic model works well for hydrogen desorption from alpha-Zr if the activation energy of desorption is optimized to be 70% of the value reported in the literature. (C) 2014 Elsevier B.V. All rights reserved. C1 [Hu, Xunxiang; Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Terrani, Kurt A.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. [Hu, Xunxiang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Hu, XX (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM hux1@ornl.gov RI Wirth, Brian/O-4878-2015; Hu, Xunxiang/N-3267-2016 OI Wirth, Brian/0000-0002-0395-0285; Hu, Xunxiang/0000-0002-4271-2327 FU Oak Ridge National Laboratory; 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]; U.S. Department of Energy, Office of Nuclear Energy's Nuclear Energy University Programs (NEUP) FX The aid and technical insight of C.M. Silva, Charles Schaich, and David Woodley at ORNL is gratefully acknowledged. Thorough examination of the manuscript by Alexander Barashev at ORNL is also recognized. The work presented in this paper was supported by Laboratory Directed R&D funds at Oak Ridge National Laboratory, and partially supported by the Consortium for Advanced Simulation of Light Water Reactors (www.casl.gov), an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725 and the U.S. Department of Energy, Office of Nuclear Energy's Nuclear Energy University Programs (NEUP). NR 34 TC 5 Z9 6 U1 1 U2 24 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 MAY PY 2014 VL 448 IS 1-3 BP 87 EP 95 DI 10.1016/j.jnucmat.2014.01.028 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400013 ER PT J AU Fraile, A Cuesta-Lopez, S Caro, A Schwen, D Perlado, JM AF Fraile, Alberto Cuesta-Lopez, Santiago Caro, Alfredo Schwen, Daniel Manuel Perlado, J. TI Interatomic potential for the compound-forming Li-Pb liquid alloy SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SHORT-RANGE ORDER; STRONG CHEMICAL INTERACTIONS; INTERMETALLIC COMPOUNDS; MOLECULAR-DYNAMICS; BLANKET CONCEPT; BINARY-ALLOYS; FAST SOUND; LITHIUM; LEAD; METALS AB Atomistic simulations of liquid alloys face the challenge of correctly modeling basic thermodynamic properties. In this work we present an interatomic potential for this system, as well as a study of physical properties of Li-Pb alloys. Despite the complexity due to Li-Pb being a compound forming system where charge transfer is expected, we show here how the empirical EAM formalism is able to satisfactorily describe several physical properties in a wide range of Li concentration. Application of our potential to Li-Pb eutectic allows us to correctly predict many physical properties observed experimentally and calculated with ab initio techniques, providing in this way a potential suitable for future studies in the context of tritium breeder blanket designs in Fusion technology. (C) 2014 Elsevier B.V. All rights reserved. C1 [Fraile, Alberto; Manuel Perlado, J.] Univ Politecn Madrid, ETSI Ind, Inst Fus Nucl, E-28006 Madrid, Spain. [Cuesta-Lopez, Santiago] Univ Burgos, Parque Cient ID1, Burgos 09002, Spain. [Caro, Alfredo; Schwen, Daniel] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fraile, A (reprint author), Univ Politecn Madrid, ETSI Ind, Inst Fus Nucl, Jose Gutierrez Abascal 2, E-28006 Madrid, Spain. EM albertofrailegarcia@gmail.com; scuesta@ubu.es OI Cuesta-Lopez, Santiago/0000-0002-7401-3889; Schwen, Daniel/0000-0002-8958-4748 FU European CONSOLIDER Program; Universidad Politecnica de Madrid (Spain) FX This work is partially funded by the European CONSOLIDER Program. The work of the first author is part of their PhD Thesis and has been supported by the Universidad Politecnica de Madrid (Spain). We are grateful to Professor D. Belaschenko for providing us with his Li potential and many useful discussions. We acknowledge L. Zhang for interesting discussions and assistance with SRO calculations and N. Gupta for assistance in some Mathematica calculations. NR 40 TC 1 Z9 1 U1 1 U2 14 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 MAY PY 2014 VL 448 IS 1-3 BP 103 EP 108 DI 10.1016/j.jnucmat.2014.01.037 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400015 ER PT J AU Janney, DE Kennedy, JR Madden, JW O'Holleran, TP AF Janney, Dawn E. Kennedy, J. Rory Madden, J. W. O'Holleran, T. P. TI Crystal structure of high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr and rare-earth elements SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM; TEMPERATURE; FUEL AB Researchers commonly observe high-Zr inclusions in actinide-Zr alloys. As there is very little published data on the crystal structures of these inclusions, it has generally been assumed that the inclusions were impurity-stabilized ot-Zr. However, new electron-diffraction data from two high-Zr inclusions in an alloy containing Ii, Pu, Np, Am, Zr, and rare-earth elements show that these inclusions are not ot-Zr (which has a hexagonal structure) but, instead, have a face-centered cubic structure. This data is unique in that it combines single-crystal diffraction patterns and microchemical analyses from individual inclusions. More data on other high-Zr inclusions is clearly required. However, the present results suggest that caution is needed in assuming that all high-Zr inclusions in actinide-Zr alloys are ot-Zr. (C) 2014 Elsevier B.V. All rights reserved. C1 [Janney, Dawn E.; Kennedy, J. Rory; Madden, J. W.; O'Holleran, T. P.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Janney, DE (reprint author), Idaho Natl Lab, Mail Stop 6188, Idaho Falls, ID 83415 USA. EM dawn.janney@inl.gov; rory.kennedy@inl.gov; james.madden@inl.gov; thomas.oholleran@inl.gov FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-051D14517] FX We would like to thank the many people in the Nuclear Operations, Safeguards and Security, and Radiological Safety organizations at the Materials and Fuels Complex, Idaho National Laboratory who made it possible to carry this work out safely. The AFC2-A7 sample was cast under the supervision of Mr. Timothy A Hyde. Mr. Spence Taylor prepared the SEM sample. We would also like to thank Dr. Robert Mariani for helpful discussions, and Dr. Brandon Miller for loading the samples into the TEM.; The research presented here was supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-051D14517. NR 13 TC 4 Z9 4 U1 2 U2 9 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 MAY PY 2014 VL 448 IS 1-3 BP 109 EP 112 DI 10.1016/j.jnucmat.2014.01.044 PG 4 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400016 ER PT J AU Hu, SY Setyawan, W Van Ginhoven, RM Jiang, WL Henager, CH Kurtz, RJ AF Hu, Shenyang Setyawan, Wahyu Van Ginhoven, Renee M. Jiang, Weilin Henager, Charles H., Jr. Kurtz, Richard J. TI Thermodynamic and kinetic properties of intrinsic defects and Mg transmutants in 3C-SiC determined by density functional theory SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CUBIC SILICON-CARBIDE; AB-INITIO CALCULATIONS; AUGMENTED-WAVE METHOD; NATIVE POINT-DEFECTS; 1ST-PRINCIPLES CALCULATIONS; ELASTIC-CONSTANTS; STACKING-FAULTS; MAGNESIUM; MG2SI; DIFFUSION AB Density functional theory (DFT) is used to calculate the thermodynamic and kinetic properties of transmutant Mg in 3C-SiC due to high-energy neutron irradiation associated with the fusion nuclear environment. The formation and binding energies of intrinsic defects, Mg-related defects, and clusters in 3C-S1C are systematically calculated. The minimum energy paths and activation energies during point defect migration and small cluster evolution are studied using a generalized solid-state nudged elastic band (G-SSNEB) method with DFT energy calculations. Stable defect structures and possible defect migration mechanisms are identified. The evolution of binding energies during Mg2Si formation demonstrates that the formation of Mg2Si needs to overcome a critical nucleus size and nucleation barrier. It is found that C vacancies promote the formation of the Mg2Si nucleus, and formation of which results in a compressive stress field around the nucleus. These data are important inputs in meso- and macro-scale modeling and experiments to understand and predict the impact of Mg on phase stability, microstructure evolution, and performance of SiC and SiC-based materials during long-term neutron exposures. Published by Elsevier B.V. C1 [Hu, Shenyang; Setyawan, Wahyu; Van Ginhoven, Renee M.; Jiang, Weilin; Henager, Charles H., Jr.; Kurtz, Richard J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hu, SY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM shenyang.hu@pnl.gov OI Henager, Chuck/0000-0002-8600-6803; HU, Shenyang/0000-0002-7187-3082; Jiang, Weilin/0000-0001-8302-8313 FU Battelle for the United States Department of Energy [EACO5-76RL01830]; U.S. Department of Energy, Office of Fusion Energy Sciences FX The work described in this article was performed by Pacific Northwest National Laboratory, which is operated by Battelle for the United States Department of Energy under Contract DEACO5-76RL01830. This study has been supported by the U.S. Department of Energy, Office of Fusion Energy Sciences. NR 47 TC 1 Z9 1 U1 3 U2 32 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 MAY PY 2014 VL 448 IS 1-3 BP 121 EP 128 DI 10.1016/j.jnucmat.2014.01.035 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400018 ER PT J AU Yun, D Yacout, AM Stan, M Bauer, TH Wright, AE AF Yun, Di Yacout, Abdellatif M. Stan, Marius Bauer, Theodore H. Wright, Arthur E. TI Simulation of the impact of 3-D porosity distribution in metallic U-10Zr fuels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID FAST-REACTOR FUELS; THERMAL-EXPANSION; PERFORMANCE CODE; HEAT; BEHAVIOR AB Evolution of porosity generated in metallic U-Zr fuel irradiated in fast spectrum reactors leads to changes in fuel properties and impacts important phenomena such as heat transport and constituent redistribution. The porosity is generated as a result of the accumulation of fission gases and is affected by the possible bond sodium infiltration into the fuel. Typically, the impact of porosity development on properties, such as thermal conductivity, is accounted for through empirical correlations that are dependent on porosity and infiltrated sodium fractions. Currently available simulation tools make it possible to take into account fuel 3-D porosity distributions, potentially eliminating the need for such correlations. This development allows for a more realistic representation of the porosity evolution in metallic fuel and creates a framework for truly mechanistic fuel development models. In this work, COMSOL multi-physics simulation platform is used to model 3-D porosity distributions and simulate heat transport in metallic U-10Zr fuel. Available experimental data regarding microstructural evolution of fuel that was irradiated in EBR-II and associated phase stability information are used to guide the simulation. The impact of changes in porosity characteristics on material properties is estimated and the results are compared with calculated temperature distributions. The simulations demonstrate the developed capability and importance of accounting for detailed porosity distribution features for accurate fuel performance evaluation. Published by Elsevier B.V. C1 [Yun, Di; Yacout, Abdellatif M.; Stan, Marius; Bauer, Theodore H.; Wright, Arthur E.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yun, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM diyun@anl.gov RI Yun, Di/K-6441-2013 OI Yun, Di/0000-0002-9767-3214 FU US Department of Energy [DE-AC02-06CH11357] FX This work was supported under US Department of Energy Contract DE-AC02-06CH11357. NR 26 TC 1 Z9 1 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 129 EP 138 DI 10.1016/j.jnucmat.2014.02.002 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400019 ER PT J AU Jue, JF Keiser, DD Breckenridge, CR Moore, GA Meyer, MK AF Jue, Jan-Fong Keiser, Dennis D., Jr. Breckenridge, Cynthia R. Moore, Glenn A. Meyer, Mitchell K. TI Microstructural characteristics of HIP-bonded monolithic nuclear fuels with a diffusion barrier SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MO DISPERSION FUEL; AL-SI; URANIUM; ALLOY; IRRADIATION; MOLYBDENUM; MATRIX; ZR; INTERDIFFUSION AB Due to the limitation of maximum uranium load achievable by dispersion fuel type, the Global Threat Reduction Initiative is developing an advanced monolithic fuel to convert US high-performance research reactors to low-enriched uranium. Hot-isostatic-press (HIP) bonding was the single process downselected to bond monolithic U-Mo fuel meat to aluminum alloy cladding. A diffusion barrier was applied to the U-Mo fuel meat by roll-bonding process to prevent extensive interaction between fuel meat and aluminum-alloy cladding. Microstructural characterization was performed on fresh fuel plates fabricated at Idaho National Laboratory. Interfaces between the fuel meat, the cladding, and the diffusion barrier, as well as between the U-10Mo fuel meat and the Al-6061 cladding, were characterized by scanning electron microscopy. Preliminary results indicate that the interfaces contain many different phases while decomposition, second phases, and chemical banding were also observed in the fuel meat. The important attributes of the HIP-bonded monolithic fuel are: A typical Zr diffusion barrier with a thickness of 25 gm. A transverse cross section that exhibits relatively equiaxed grains with an average grain diameter of 10 gm. Chemical banding, in some areas more than 100 gm in length, that is very pronounced in longitudinal (i.e., rolling) direction with Mo concentration varying from 7-13 wt.%. Decomposed areas containing plate-shaped low-Mo phase. A typical Zr/cladding interaction layer with a thickness of 1-2 gm. A visible UZr2 bearing layer with a thickness of 1-2 pm. Mo-rich precipitates (mainly Mo2Zr, forming a layer in some areas) followed by a Mo-depleted sublayer between the visible UZr2-bearing layer and the U-Mo matrix. No excessive interaction between cladding and the uncoated fuel edge Cladding-to-cladding bonding that exhibits no cracks or porosity with second phases high in Mg, Si, and 0 decorating the bond line. Some of these attributes might be critical to the irradiation performance of monolithic U-10Mo nuclear fuel. There are several issues or concerns that warrant more detailed study, such as precipitation along the cladding-to-cladding bond line, chemical banding, uncovered fuel-zone edge, and the interaction layer between the U-Mo fuel meat and zirconium. Future post-irradiation examination results will focus, among other things, on identifying in-reactor failure mechanisms and, eventually, directing further fresh fuel characterization efforts. (C) 2014 Elsevier B.V. All rights reserved. C1 [Jue, Jan-Fong; Keiser, Dennis D., Jr.; Breckenridge, Cynthia R.; Moore, Glenn A.; Meyer, Mitchell K.] Idaho Natl Lab, Idaho Falls, ID 83402 USA. RP Jue, JF (reprint author), 2525 Fremont St, Idaho Falls, ID 83402 USA. EM dennis.keiser@inl.gov OI Meyer, Mitchell/0000-0002-1980-7862 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration, under DOE-NE Idaho Operations Office [DE-AC07-051D14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212), National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-051D14517. Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. The authors would like to thank Mr. Jameson Root for EBSD mapping and Dr. Barney Hadden for technical editing. NR 28 TC 9 Z9 9 U1 5 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 250 EP 258 DI 10.1016/j.jnucmat.2014.02.004 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400032 ER PT J AU Yang, Y Busby, JT AF Yang, Y. Busby, J. T. TI Thermodynamic modeling and kinetics simulation of precipitate phases in AISI 316 stainless steels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SI-B SYSTEM; MULTICOMPONENT MULTIPHASE SYSTEMS; MO-NI SYSTEM; MN-C SYSTEM; TI-C; MICROSTRUCTURAL EVOLUTION; FERRITE FORMATION; FE; IRRADIATION; EQUILIBRIA AB This work aims at utilizing modern computational microstructural modeling tools to accelerate the understanding of phase stability in austenitic steels under extended thermal aging. Using the CALPHAD approach, a thermodynamic database OCTANT (ORNL Computational Thermodynamics for Applied Nuclear Technology), including elements of Fe, C, Cr, Ni, Mn, Mo, Si, and Ti, has been developed with a focus on reliable thermodynamic modeling of precipitate phases in AISI 316 austenitic stainless steels. The thermodynamic database was validated by comparing the calculated results with experimental data from commercial 316 austenitic steels. The developed computational thermodynamics was then coupled with precipitation kinetics simulation to understand the temporal evolution of precipitates in austenitic steels under long-term thermal aging (up to 600,000 h) at a temperature regime from 300 to 900 degrees C. This study discusses the effect of dislocation density and difusion coefficients on the precipitation kinetics at low temperatures, which shed a light on investigating the phase stability and transformation in austenitic steels used in light water reactors. (C) 2014 Elsevier B.V. All rights reserved. C1 [Yang, Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Busby, J. T.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. RP Yang, Y (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM yangying@ornl.gov RI Yang, Ying/E-5542-2017 OI Yang, Ying/0000-0001-6480-2254 FU US Department of Energy (DOE), Office of Nuclear Energy, Nuclear Engineering Enabling Technology (NEET) Reactor Materials [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was supported by the US Department of Energy (DOE), Office of Nuclear Energy, Nuclear Engineering Enabling Technology (NEET) Reactor Materials, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Pandat software from Compu-Therm LLC is acknowledged. Discussion with Dr. P.J. Maziasz from ORNL, Dr. Ernst Kozeschnik from Vienna University of Technology is also acknowledged. NR 69 TC 14 Z9 14 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 282 EP 293 DI 10.1016/j.jnucmat.2014.02.008 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400036 ER PT J AU Gussev, MN Busby, JT Tan, L Garner, FA AF Gussev, M. N. Busby, J. T. Tan, L. Garner, F. A. TI Magnetic phase formation in irradiated austenitic alloys SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID STAINLESS-STEEL; VOID NUCLEATION; SILICON; 304-STAINLESS-STEEL; HYDROGEN; BEHAVIOR; GROWTH AB Iron-based austenitic alloys are often observed to develop magnetic properties during irradiation, possibly associated with the radiation-induced acceleration of ferrite phase formation. Some of the parametric sensitivities of this phenomenon have been addressed using a series of alloys irradiated in the BOR-60 reactor at 593 K. An increase in magnetic phase amount for all alloys was observed over the 0-12 dpa dose range. However, magnetic phase (ferrite according to TEM results) did not appear to continuously increase at higher doses (above 12 dpa) but did tend to saturate. The formation of a magnetic phase in austenitic stainless steels during irradiation at 593 K appeared to be sensitive to alloy composition. It was found that silicon and manganese accelerated ferrite accumulation in the dose range of 0-12 dpa, whereas carbon and probably molybdenum resisted it. Also, an increase in grain size resisted ferrite formation, but cold work was found to stimulate it. (C) 2014 Elsevier B.V. All rights reserved. C1 [Gussev, M. N.; Busby, J. T.; Tan, L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Garner, F. A.] Radiat Effects Consulting, Richland, WA 99354 USA. RP Gussev, MN (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS-6151, Oak Ridge, TN 37831 USA. EM gussevmn@ornl.gov RI Tan, Lizhen/A-7886-2009 OI Tan, Lizhen/0000-0002-3418-2450 FU U.S. Department of Energy, Office of Nuclear Energy; UT-Battelle LLC [DE-AC05-00OR22725] FX This research was sponsored by the U.S. Department of Energy, Office of Nuclear Energy, for the Light Water Reactor Sustainability Research and Development Effort. The authors would also like to thank Dr. T.S. Byun for fruitful discussion and review.; This manuscript has been authored by the Oak Ridge National Laboratory, managed by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. 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 manuscript, or allow others to do so, for U.S. Government purposes. NR 29 TC 9 Z9 9 U1 1 U2 17 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 MAY PY 2014 VL 448 IS 1-3 BP 294 EP 300 DI 10.1016/j.jnucmat.2014.02.005 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400037 ER PT J AU Soderlind, P Landa, A AF Soederlind, Per Landa, Alex TI Theoretical confirmation of Ga-stabilized anti-ferromagnetism in plutonium metal SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; CRYSTAL-STRUCTURES; DELTA-PU AB Density functional theory (DFT) for plutonium metal is shown to be consistent with recent magnetic measurements that suggest anti-ferromagnetism in Pu-Ga alloys at low temperatures. The theoretical model predicts a stabilization of the face-centered-cubic (fcc, delta) form of plutonium in an antiferromagnetic configuration when alloyed with gallium. The ordered magnetic phase occurs because Ga removes the mechanical instability that exists for unalloyed delta-Pu. The cause of the Ga-induced stabilization is a combination of a lowering of the band (kinetic) and electrostatic (Coulomb) energies for the cubic relative to the tetragonal phase. Similarly, gallium plays an important role in stabilizing antiferromagnetism in the tetragonal P4/mmm Pu3Ga compound. (C) 2014 Elsevier B.V. All rights reserved. C1 [Soederlind, Per; Landa, Alex] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Condensed Matter & Mat Div, Livermore, CA 94551 USA. RP Soderlind, P (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Condensed Matter & Mat Div, Livermore, CA 94551 USA. EM soderlind@llnl.gov FU U.S. DOE by LLNL [DE-AC52-07NA27344] FX We thank B. Sadigh, A. Ruban, and L. Vitos for helpful discussions. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. NR 36 TC 3 Z9 3 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 310 EP 314 DI 10.1016/j.jnucmat.2014.02.017 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400039 ER PT J AU Rabenberg, EM Jaques, BJ Sencer, BH Garner, FA Freyer, PD Okita, T Butt, DP AF Rabenberg, Ellen M. Jaques, Brian J. Sencer, Bulent H. Garner, Frank A. Freyer, Paula D. Okita, Taira Butt, Darryl P. TI Mechanical behavior of AISI 304SS determined by miniature test methods after neutron irradiation to 28 dpa SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID FINITE-ELEMENT-ANALYSIS; SHEAR PUNCH TESTS; MICROSTRUCTURAL EVOLUTION; AUSTENITIC ALLOYS; DEFORMATION; 12CR18NI10TI; TEMPERATURE; DEPENDENCE; THICKNESS; STEELS AB The mechanical properties of AISI 304 stainless steel irradiated for over a decade in the Experimental Breeder Reactor (EBR-II) were measured using miniature mechanical testing methods. The shear punch method was used to evaluate the shear strengths of the neutron-irradiated steel and a correlation factor was empirically determined to predict its tensile strength. The strength of the stainless steel slightly decreased with increasing irradiation temperature, and significantly increased with increasing dose until it saturated above approximately 5 dpa. An effective tensile strain hardening exponent was also obtained from the data which shows a relative decrease in ductility of steel with increased irradiation damage. Ferromagnetic measurements were used to observe and deduce the effects of the stress-induced austenite to martensite transformation as a result of shear punch testing. (C) 2014 Elsevier B.V. All rights reserved. C1 [Rabenberg, Ellen M.; Jaques, Brian J.; Butt, Darryl P.] Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA. [Rabenberg, Ellen M.; Jaques, Brian J.; Sencer, Bulent H.; Butt, Darryl P.] Ctr Adv Energy Studies, Idaho Falls, ID 83401 USA. [Sencer, Bulent H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Garner, Frank A.] Radiat Effects Consulting, Richland, WA 99354 USA. [Freyer, Paula D.] Westinghouse Elect Co LLC, Pittsburgh, PA 15235 USA. [Okita, Taira] Univ Tokyo, Ctr Engn, Res Artifacts Dept, Tokyo, Japan. RP Butt, DP (reprint author), Boise State Univ, 1910 Univ Dr, Boise, ID 83725 USA. EM DarrylButt@BoiseState.edu OI Jaques, Brian/0000-0002-5324-555X FU Laboratory Directed Research and Development (LDRD) through the Batelle Energy Alliance FX This research was partially funded through a Laboratory Directed Research and Development (LDRD) through the Batelle Energy Alliance. NR 39 TC 3 Z9 3 U1 0 U2 12 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 MAY PY 2014 VL 448 IS 1-3 BP 315 EP 324 DI 10.1016/j.jnucmat.2014.02.018 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400040 ER PT J AU Nguyen, BN Gao, F Henager, CH Kurtz, RJ AF Nguyen, Ba Nghiep Gao, Fei Henager, Charles H., Jr. Kurtz, Richard J. TI Prediction of thermal conductivity for irradiated SiC/SiC composites by informing continuum models with molecular dynamics data SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE; NEUTRON-IRRADIATION; TEMPERATURES; INCLUSION; EVOLUTION; FUSION AB This article proposes a new method to estimate the thermal conductivity of SiC/SiC composites subjected to neutron irradiation. The modeling method bridges different scales from the atomic scale to the scale of a 2D SiC/SiC composite. First, it computes the irradiation-induced point defects in perfect crystalline SiC using molecular dynamics (MD) simulations to compute the defect thermal resistance as a function of vacancy concentration and irradiation dose. The concept of defect thermal resistance is explored explicitly in the MD data using vacancy concentrations and thermal conductivity decrements due to phonon scattering. Point defect-induced swelling for chemical vapor deposited (CVD) SiC as a function of irradiation dose is approximated by scaling the corresponding MD results for perfect crystal beta-sic to experimental data for CVD-SiC at various temperatures. The computed thermal defect resistance, thermal conductivity as a function of grain size, and definition of defect thermal resistance are used to compute the thermal conductivities of CVD-SiC, isothermal chemical vapor infiltrated (ICVI) SiC and nearly-stoichiometric SiC fibers. The computed fiber and ICVI-SiC matrix thermal conductivities are then used as input for an Eshelby-Mori-Tanaka approach to compute the thermal conductivities of 2D SiC/SiC composites subjected to neutron irradiation within the same irradiation doses. Predicted thermal conductivities for an irradiated Tyranno-SA/ICVI-SiC composite are found to be comparable to available experimental data for a similar composite ICVI-processed with these fibers. (C) 2014 Elsevier B.V. All rights reserved. C1 [Nguyen, Ba Nghiep; Gao, Fei; Henager, Charles H., Jr.; Kurtz, Richard J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nguyen, BN (reprint author), Pacific NW Natl Lab, POB 999,MSIN J4-55, Richland, WA 99352 USA. EM Ba.Nguyen@pnnl.gov OI Henager, Chuck/0000-0002-8600-6803 FU US DOE Office of Fusion Energy Sciences; US DOE Office of Nuclear Energy under the Nuclear Energy Enabling Technologies Reactor Materials Program (NEETRM); US DOE Office of Vehicle Technologies FX The work was funded by the US DOE Office of Fusion Energy Sciences and the US DOE Office of Nuclear Energy under the Nuclear Energy Enabling Technologies Reactor Materials Program (NEETRM). The development of EMTA was funded by the US DOE Office of Vehicle Technologies. NR 31 TC 3 Z9 3 U1 8 U2 40 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 MAY PY 2014 VL 448 IS 1-3 BP 364 EP 372 DI 10.1016/j.jnucmat.2014.02.028 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400045 ER PT J AU Carmack, J Goldner, F AF Carmack, Jon Goldner, Frank TI Forward for special JNM issue on accident tolerant fuels for LWRs Preface SO JOURNAL OF NUCLEAR MATERIALS LA English DT Editorial Material C1 [Carmack, Jon] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Goldner, Frank] US DOE, Germantown, MD USA. RP Carmack, J (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM jon.carmack@inl.gov NR 0 TC 10 Z9 10 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 373 EP 373 DI 10.1016/j.jnucmat.2014.03.030 PG 1 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400046 ER PT J AU Zinkle, SJ Terrani, KA Gehin, JC Ott, LJ Snead, LL AF Zinkle, S. J. Terrani, K. A. Gehin, J. C. Ott, L. J. Snead, L. L. TI Accident tolerant fuels for LWRs: A perspective SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NEUTRON-IRRADIATION; TEMPERATURE; REACTOR; ALLOYS; MOLYBDENUM AB The motivation for exploring the potential development of accident tolerant fuels in light water reactors to replace existing Zr alloy clad monolithic (U, Pu) oxide fuel is outlined. The evaluation includes a brief review of core degradation processes under design-basis and beyond-design-basis transient conditions. Three general strategies for accident tolerant fuels are being explored: modification of current state-of-the-art zirconium alloy cladding to further improve oxidation resistance (including use of coatings), replacement of Zr alloy cladding with an alternative oxidation-resistant high-performance cladding, and replacement of the monolithic ceramic oxide fuel with alternative fuel forms. (C) 2013 Elsevier B.V. All rights reserved. C1 [Zinkle, S. J.; Terrani, K. A.; Gehin, J. C.; Ott, L. J.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zinkle, S. J.] Univ Tennessee, Knoxville, TN 37996 USA. RP Zinkle, SJ (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM zinklesj@ornl.gov OI Gehin, Jess/0000-0001-8337-9551; Zinkle, Steven/0000-0003-2890-6915 FU Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy FX This work was supported in part by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy. NR 24 TC 67 Z9 68 U1 12 U2 91 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 MAY PY 2014 VL 448 IS 1-3 BP 374 EP 379 DI 10.1016/j.jnucmat.2013.12.005 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400047 ER PT J AU Yueh, K Terrani, KA AF Yueh, Ken Terrani, Kurt A. TI Silicon carbide composite for light water reactor fuel assembly applications SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CLADDING CANDIDATE MATERIALS; HIGH-TEMPERATURE; ENVIRONMENTS; OXIDATION AB The feasibility of using SiCf-SiCm composites in light water reactor (LWR) fuel designs was evaluated. The evaluation was motivated by the desire to improve fuel performance under normal and accident conditions. The Fukushima accident once again highlighted the need for improved fuel materials that can maintain fuel integrity to higher temperatures for longer periods of time. The review identified many benefits as well as issues in using the material. Issues perceived as presenting the biggest challenges to the concept were identified to be flux gradient induced differential volumetric swelling, fragmentation and thermal shock resistance. The oxidation of silicon and its release into the coolant as silica has been identified as an issue because existing plant systems have limited ability for its removal. Detailed evaluation using available literature data and testing as part of this evaluation effort have eliminated most of the major concerns. The evaluation identified Boiling Water Reactor (BWR) channel, BWR fuel water tube, and Pressurized Water Reactor (PWR) guide tube as feasible applications for SiC composite. A program has been initiated to resolve some of the remaining issues and to generate physical property data to support the design of commercial fuel components. (C) 2014 Elsevier B.V. All rights reserved. C1 [Yueh, Ken] EPRI, Fuel Reliabil Program, Charlotte, NC 28262 USA. [Terrani, Kurt A.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. RP Yueh, K (reprint author), EPRI, Fuel Reliabil Program, 1300 West WT Harris Blvd, Charlotte, NC 28262 USA. EM kyueh@epri.com; terranika@ornl.gov NR 34 TC 15 Z9 16 U1 3 U2 27 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 MAY PY 2014 VL 448 IS 1-3 BP 380 EP 388 DI 10.1016/j.jnucmat.2013.12.004 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400048 ER PT J AU Snead, LL Terrani, KA Katoh, Y Silva, C Leonard, KJ Perez-Bergquist, AG AF Snead, L. L. Terrani, K. A. Katoh, Y. Silva, C. Leonard, K. J. Perez-Bergquist, A. G. TI Stability of SiC-matrix microencapsulated fuel constituents at relevant LWR conditions SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE; IRRADIATION; TEMPERATURES AB This paper addresses certain key feasibility issues facing the application of SiC-matrix microencapsulated fuels for light water reactor application. Issues addressed are the irradiation stability of the SiC-based nano-powder ceramic matrix under LWR-relevant irradiation conditions, the presence or extent of reaction of the SiC matrix with zirconium-based cladding, the stability of the inner and outer pyrolytic graphite layers of the TRISO coating system at this uncharacteristically low irradiation temperature, and the state of the particle-matrix interface following irradiation which could possibly affect thermal transport. In the process of determining these feasibility issues microstructural evolution and change in dimension and thermal conductivity was studied. As a general finding the SiC matrix was found to be quite stable with behavior similar to that of CVD SiC. In magnitude the irradiation-induced swelling of the matrix material was slightly higher and irradiation-degraded thermal conductivity was slightly lower as compared to CVD SiC. No significant reaction of this SiC-based nano-powder ceramic matrix material with Zircaloy was observed. Irradiation of the sample in the 320-360 degrees C range to a maximum dose of 7.7 x 10(25) n/m(2) (E > 0.1 MeV) did not have significant negative impact on the constituent layers of the TRISO coating system. At the highest dose studied, layer structure and interface integrity remained essentially unchanged with good apparent thermal transport through the microsphere to the surrounding matrix. Published by Elsevier B.V. C1 [Snead, L. L.; Terrani, K. A.; Katoh, Y.; Silva, C.; Leonard, K. J.; Perez-Bergquist, A. G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Snead, LL (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM SneadLL@ORNL.GOV RI Silva, Chinthaka/E-1416-2017 OI Silva, Chinthaka/0000-0003-4637-6030 FU Scientific User Facilities Division, Office of Basic Energy Sciences; US Department of Energy FX The authors would like to than Joel McDuffee and Bob Sitterson for their efforst in the design and construction of irradiation capsules. The authors would like to thank Dr. John Hunn for the use of the AGR program TRISO tomography image. Transmission electron microscopy was supported by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Irradiations were carried out in the High Flux Isotope Reactor, and office of Science funded user facility. Surrogate TRISO particles were produced as part of previous work supported by the U.S. Department of Energy, Office of Nuclear Energy, under the Very High Temperature Reactor Technology Development Office Advanced Gas Reactor Fuel Development and Qualification Program. The work presented in this manuscript was supported by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, US Department of Energy. NR 28 TC 12 Z9 13 U1 4 U2 25 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 MAY PY 2014 VL 448 IS 1-3 BP 389 EP 398 DI 10.1016/j.jnucmat.2013.09.056 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400049 ER PT J AU Hunt, RD Silva, CM Lindemer, TB Johnson, JA Collins, JL AF Hunt, R. D. Silva, C. M. Lindemer, T. B. Johnson, J. A. Collins, J. L. TI Preparation of UC0.07-010N0.90-0.93 spheres for TRISO coated fuel particles SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID URANIUM NITRIDE; MICROSPHERES; KINETICS; MONONITRIDE; CARBON; UN AB The US Department of Energy is considering a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with dense uranium nitride (UN) kernels with diameters of 650 or 800 gm. The objectives of this effort are to make uranium oxide microspheres with adequately dispersed carbon nanoparticles and to convert these microspheres into UN spheres, which could be then sintered into kernels. Recent improvements to the internal gelation process were successfully applied to the production of uranium gel spheres with different concentrations of carbon black. After the spheres were washed and dried, a simple two-step heat profile was used to produce porous microspheres with a chemical composition of UC0.07-0.10N0.90-0.93. The first step involved heating the microspheres to 2023 K in a vacuum, and in the second step, the microspheres were held at 1873 K for 6 h in flowing nitrogen. (C) 2013 Elsevier B.V. All rights reserved. C1 [Hunt, R. D.; Silva, C. M.; Johnson, J. A.; Collins, J. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lindemer, T. B.] Harbach Engn & Solut, Dayton, OH 45458 USA. RP Hunt, RD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM huntrd@ornl.gov FU UT-Battelle LLC [DE-AC05-00OR22725] FX This manuscript has been authored by the Oak Ridge National Laboratory, managed 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, 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 21 TC 6 Z9 6 U1 5 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 399 EP 403 DI 10.1016/j.jnucmat.2013.04.007 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400050 ER PT J AU Lindemer, TB Voit, SL Silva, CM Besmann, TM Hunt, RD AF Lindemer, T. B. Voit, S. L. Silva, C. M. Besmann, T. M. Hunt, R. D. TI Carbothermic synthesis of 820 mu m uranium nitride kernels: Literature review, thermodynamics, analysis, and related experiments SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID 1700 DEGREES C; MICROSPHERES; KINETICS; UN AB The US Department of Energy is developing a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with uranium nitride (UN) kernels with diameters near 825 mu m. This effort explores factors involved in the conversion of uranium oxide-carbon microspheres into UN kernels. An analysis of previous studies with sufficient experimental details is provided. Thermodynamic calculations were made to predict pressures of carbon monoxide and other relevant gases for several reactions that can be involved in the conversion of uranium oxides and carbides into UN. Uranium oxide-carbon microspheres were heated in a microbalance with an attached mass spectrometer to determine details of calcining and carbothermic conversion in argon, nitrogen, and vacuum. A model was derived from experiments on the vacuum conversion to uranium oxide-carbide kernels. UN-containing kernels were fabricated using this vacuum conversion as part of the overall process. Carbonitride kernels of similar to 89% of theoretical density were produced along with several observations concerning the different stages of the process. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lindemer, T. B.] Harbach Engn & Solut, Dayton, OH 45458 USA. [Voit, S. L.; Silva, C. M.; Besmann, T. M.; Hunt, R. D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hunt, RD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM huntrd@ornl.gov NR 17 TC 6 Z9 7 U1 2 U2 18 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 MAY PY 2014 VL 448 IS 1-3 BP 404 EP 411 DI 10.1016/j.jnucmat.2013.10.036 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400051 ER PT J AU Besmann, TM Ferber, MK Lin, HT Collin, BP AF Besmann, T. M. Ferber, M. K. Lin, H. -T. Collin, B. P. TI Fission product release and survivability of UN-kernel LWR TRISO fuel SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NITRIDE FUELS; SIC/SIC COMPOSITES; URANIUM NITRIDE; NUCLEAR-FUEL; GAS RELEASE; IRRADIATION; PARTICLES; STRESSES; RECOIL; WATER AB A thermomechanical assessment of the LWR application of TRISO fuel with UN kernels was performed. Fission product release under operational and transient temperature conditions was determined by extrapolation from fission product recoil calculations and limited data from irradiated UN pellets. Both fission recoil and diffusive release were considered and internal particle pressures computed for both 650 and 800 mu m diameter kernels as a function of buffer layer thickness. These pressures were used in conjunction with a finite element program to compute the radial and tangential stresses generated within a TRISO particle undergoing burnup. Creep and swelling of the inner and outer pyrolytic carbon layers were included in the analyses. A measure of reliability of the TRISO particle was obtained by computing the probability of survival of the SiC barrier layer and the maximum tensile stress generated in the pyrolytic carbon layers from internal pressure and thermomechanics of the layers. These reliability estimates were obtained as functions of the kernel diameter, buffer layer thickness, and pyrolytic carbon layer thickness. The value of the probability of survival at the end of irradiation was inversely proportional to the maximum pressure. (C) 2013 Elsevier B.V. All rights reserved. C1 [Besmann, T. M.; Ferber, M. K.; Lin, H. -T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Collin, B. P.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Besmann, TM (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM besmanntm@ornl.gov OI Collin, Blaise/0000-0002-1128-7399 FU US Department of Energy, Office of Nuclear Energy, Fuel Cycle Research and Development Program FX This work was supported by the US Department of Energy, Office of Nuclear Energy, Fuel Cycle Research and Development Program. The authors wish to thank Stewart Volt, Kurt Terrani, Jeff Powers, David Petti and John Maki for valuable comments. NR 31 TC 0 Z9 0 U1 2 U2 12 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 MAY PY 2014 VL 448 IS 1-3 BP 412 EP 419 DI 10.1016/j.jnucmat.2013.10.034 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400052 ER PT J AU Terrani, KA Zinkle, SJ Snead, LL AF Terrani, K. A. Zinkle, S. J. Snead, L. L. TI Advanced oxidation-resistant iron-based alloys for LWR fuel cladding SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HIGH-TEMPERATURE OXIDATION; STRESS-CORROSION CRACKING; LIGHT-WATER REACTORS; LOW-TIN ZIRCALOY-4; STAINLESS-STEELS; PHASE-TRANSFORMATION; MARTENSITIC STEELS; ZIRCONIUM ALLOYS; NEUTRON-IRRADIATION; CANDIDATE MATERIALS AB Application of advanced oxidation-resistant iron alloys as light water reactor fuel cladding is proposed. The motivations are based on specific limitations associated with zirconium alloys, currently used as fuel cladding, under design-basis and beyond-design-basis accident scenarios. Using a simplified methodology, gains in safety margins under severe accidents upon transition to advanced oxidation-resistant iron alloys as fuel cladding are showcased. Oxidation behavior, mechanical properties, and irradiation effects of advanced iron alloys are briefly reviewed and compared to zirconium alloys as well as historic austenitic stainless steel cladding materials. Neutronic characteristics of iron-alloy-clad fuel bundles are determined and fed into a simple economic model to estimate the impact on nuclear electricity production cost. Prior experience with steel cladding is combined with the current understanding of the mechanical properties and irradiation behavior of advanced iron alloys to identify a combination of cladding thickness reduction and fuel enrichment increase (similar to 0.5%) as an efficient route to offset any penalties in cycle length, due to higher neutron absorption in the iron alloy cladding, with modest impact on the economics. (C) 2013 Elsevier B.V. All rights reserved. C1 [Terrani, K. A.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. [Zinkle, S. J.] Oak Ridge Natl Lab, Nucl Sci & Engn Directorate, Oak Ridge, TN 37831 USA. [Snead, L. L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Terrani, KA (reprint author), Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. EM terranika@ornl.gov OI Zinkle, Steven/0000-0003-2890-6915 FU Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy; Laboratory Directed RD funds at ORNL FX The authors would like to extend their gratitude to Larry Ott, Kevin Robb, and Graydon Yoder in the Reactor and Nuclear Systems Division as well as Bruce Pint and Sebastian Dryepondt in the Materials Science and Technology Division at ORNL for their technical insight. Thoughtful discussions and guidance received from Robert Montgomery at PNNL and Dion Sunderland at Anatech Corp are also gratefully acknowledged. The work presented in this paper was supported partially by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy as well as by Laboratory Directed R&D funds at ORNL. NR 144 TC 55 Z9 55 U1 11 U2 81 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 MAY PY 2014 VL 448 IS 1-3 BP 420 EP 435 DI 10.1016/j.jnucmat.2013.06.041 PG 16 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400053 ER PT J AU Yan, Y Keiser, JR Terrani, KA Bell, GL Snead, LL AF Yan, Y. Keiser, J. R. Terrani, K. A. Bell, G. L. Snead, L. L. TI Post-quench ductility evaluation of Zircaloy-4 and select iron alloys under design basis and extended LOCA conditions SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CLADDING CANDIDATE MATERIALS; HIGH-TEMPERATURE; OXIDATION; ENVIRONMENTS AB Oxidation experiments were conducted at 1200 degrees C in flowing steam with tubing specimens of Zircaloy-4, 317, 347 stainless steels, and the commercial FeCrAl alloy APMT. The purpose was to determine the oxidation behavior and post-quench ductility under postulated and extended LOCA conditions. The parabolic rate constant for Zircaloy-4 tubing samples at 1200 degrees C was determined to be k = 2.173 x 10(7)g(2)/cm(4)/s, in excellent agreement with the Cathcart-Pawel correlation. The APMT alloy experienced the slowest oxidation rate among all materials examined in this work. The ductility of post-quenched samples was evaluated by ring compression tests at 135 degrees C. For Zircaloy-4, the ductile to brittle transition occurs at an equivalent cladding reacted (ECR) of 19.3%. SS-347 was still ductile after being oxidized for 2400 s (CP-ECR approximate to 150%), but the maximum load was reduced significantly owing to the metal layer thickness reduction. No ductility decrease was observed for the post-quenched APMT samples oxidized up to 4 h. Published by Elsevier B.V. C1 [Yan, Y.; Keiser, J. R.; Terrani, K. A.; Bell, G. L.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yan, Y (reprint author), Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Mail Stop 6295,Bldg 3525,Room 103, Oak Ridge, TN 37831 USA. EM yany@ornl.gov FU agency of the United States Government FX This document was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 19 TC 4 Z9 4 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAY PY 2014 VL 448 IS 1-3 BP 436 EP 440 DI 10.1016/j.jnucmat.2013.05.071 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400054 ER PT J AU Nelson, AT Sooby, ES Kim, YJ Cheng, B Maloy, SA AF Nelson, A. T. Sooby, E. S. Kim, Y-J Cheng, B. Maloy, S. A. TI High temperature oxidation of molybdenum in water vapor environments SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HYDROGEN; ZIRCONIUM; ALLOYS; 1700-DEGREES-C; 550-DEGREES-C; SOLUBILITY; FUEL AB Molybdenum has recently gained attention as a candidate cladding material for use in light water reactors. Its excellent high temperature mechanical properties and stability under irradiation suggest that it could offer benefits to performance under a wide range of reactor conditions, but little is known about its oxidation behavior in water vapor containing atmospheres. The current study was undertaken to elucidate the oxidation behavior of molybdenum in water vapor environments to 1200 degrees C in order to provide an initial assessment of its feasibility as a light water reactor cladding. Initial observations indicate that at temperatures below 1000 degrees C, the kinetics of mass loss in water vapor would not be detrimental to cladding integrity during an off-normal event. Above 1000 degrees C, degradation is more rapid but remains slower than observed for optimized zirconium cladding alloys. The effect of hydrogen water vapor and oxygen water vapor mixtures on material loss was also explored at elevated temperatures. Parts-per-million levels of either hydrogen or oxygen will minimally impact performance, but hydrogen contents in excess of 1000 ppm were observed to limit volatilization at 1000 degrees C. (C) 2013 Elsevier B.V. All rights reserved. C1 [Nelson, A. T.; Sooby, E. S.; Maloy, S. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kim, Y-J] Gen Elect Global Res Ctr, Schenectady, NY 12309 USA. Elect Power Res Inst, Palo Alto, CA 94304 USA. RP Nelson, AT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM atnelson@lanl.gov RI Maloy, Stuart/A-8672-2009; OI Maloy, Stuart/0000-0001-8037-1319; Nelson, Andrew/0000-0002-4071-3502 FU U.S. Department of Energy, Office of Nuclear Energy Fuel Cycle Research and Development program; Seaborg Institute at Los Alamos FX Portions of this work were supported by the U.S. Department of Energy, Office of Nuclear Energy Fuel Cycle Research and Development program. Autoclave corrosion testing has been funded by the Electric Power Research Institute. E.A. Sooby would like to express appreciation to the Seaborg Institute at Los Alamos for supporting her work on this project. NR 24 TC 12 Z9 12 U1 3 U2 25 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 MAY PY 2014 VL 448 IS 1-3 BP 441 EP 447 DI 10.1016/j.jnucmat.2013.10.043 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AH3HD UT WOS:000336013400055 ER PT J AU Katoh, Y Ozawa, K Shih, C Nozawa, T Shinavski, RJ Hasegawa, A Snead, LL AF Katoh, Yutai Ozawa, Kazumi Shih, Chunghao Nozawa, Takashi Shinavski, Robert J. Hasegawa, Akira Snead, Lance L. TI Continuous SiC fiber, CVI SiC matrix composites for nuclear applications: Properties and irradiation effects SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE COMPOSITES; PULL-OUT STRESSES; NICALON TYPE-S; SIC/SIC-COMPOSITES; NEUTRON-IRRADIATION; MECHANICAL-PROPERTIES; CERAMIC COMPOSITES; CONSTITUENT PROPERTIES; SICF/SIC COMPOSITES; TENSILE PROPERTIES AB Silicon carbide (SiC) continuous fiber-reinforced, SiC-matrix composites (Sic/Sic composites) are industrially available materials that are promising for applications in nuclear environments. The SiC/SiC composites consisting of near-stoichiometric SiC fibers, stoichiometric and fully crystalline SiC matrices, and the pyrocarbon (PyC) or multilayered PyC/SiC interphase between the fiber and the matrix are considered particularly resistant to very high radiation environments. This paper provides a summary compilation of the properties of these composites, specifically those with the chemically vapor-infiltrated (CVO SiC matrices, including newly obtained results. The properties discussed are both in unirradiated condition and after neutron irradiation to intermediate fluence levels (most data are for , and the average value of the electron density, = r[1.41/](4.76), at the bond critical point, r(c), between pairs of bonded M-O atoms. The expression applies to a host of crystals and molecules comprising M-atoms for all rows, r, of the periodic table. The values correlate with bond strength and resonance bond strength for the M-O bonded interactions on a one-to-one basis, demonstrating that the Pauling bond strength is a direct measure of the electron density involved in a bonded interaction and the accumulation of the electron density between the bonded pair. The widespread applications of the Brown-Shannon bond valence model in the Earth sciences and material science owes much of its success to the direct connection that exists between bond strength and the quantum mechanical observable, the electron density distribution. Compelling evidence is presented that supports the argument that the Si-O bonded interactions within siloxane molecules and silicate crystals are fundamentally the same, and that the local Si-O bonded interactions comprising molecules are, at the very core, equivalent to the Si-O bonded interactions observed in silicate crystals. Bond paths between the O atoms comprising shared polyhedral edges are consistent with Pauling's third rule, the shorter the O-O shared edges, the greater the accumulation of the electron density between the O atoms, the greater the stabilization of the shared edges. C1 [Gibbs, G. V.; Ross, Nancy L.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Cox, David F.] Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA. [Rosso, Kevin M.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Gibbs, GV (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. EM ggibbs@vt.edu FU National Science Foundation; U.S. Department of Energy [MSF EAR-0738692, EAR-1118691, DE-FG02-97ER14751]; U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division FX This work was supported in part by the National Science Foundation and the U.S. Department of Energy through grants to N.L.R. (Grant Nos. MSF EAR-0738692 and EAR-1118691) and D.F.C. (Grant No. DE-FG02-97ER14751). K.M.R. acknowledges support from U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division. G.V.G. is pleased to acknowledge Virginia Tech for its continued support over the last 15 years in his retirement. This contribution profited substantially from the insightful comments and valuable suggestions made by Berry R. Bickmore at Brigham Young University, Gordon E. Brown Jr. at Stanford University and an unknown reviewer. The precious time that they spent carefully reading and evaluating the manuscript and pointing out a number of inconsistencies, defects, and silly mistakes together with their important suggestions and valuable recommendations were greatly appreciated and resulted in a much improved copy. Michael Hochella is thanked in particular for urging us to write the paper, a paper that would not have seen the light of day without his infectious encouragements and enthusiasm. NR 100 TC 7 Z9 7 U1 2 U2 44 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD MAY-JUN PY 2014 VL 99 IS 5-6 BP 1071 EP 1084 DI 10.2138/am.2014.4660 PG 14 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA AG7YE UT WOS:000335633900018 ER PT J AU Cao, GH Zhou, YN Liu, N Li, X Russell, AM Gerthsen, D AF Cao, G. H. Zhou, Y. N. Liu, N. Li, X. Russell, A. M. Gerthsen, D. TI High-strength bimodal ultrafine Ti-based alloys with enhanced ductility SO CRYSTAL RESEARCH AND TECHNOLOGY LA English DT Article DE Ti-based alloys; hypereutectics; mechanical properties; microstructure; electron microscopy ID NANOSTRUCTURE-DENDRITE COMPOSITE; TENSILE DUCTILITY; EUTECTIC GROWTH; BULK ALLOYS; PLASTICITY; SN; METALS; NANOCRYSTALLINE; LAMELLAR; IMPROVE AB Bulk Ti65Fe35 and (Ti65Fe35)(96.15-x)Sn3.85Nbx (x = 0, 3, 5 and 7 at.%) alloys were prepared by cold crucible levitation melting, and tested in compression at room temperature. The Sn and Nb modified hypereutectic Ti-Fe alloys exhibited improved mechanical properties under compression. (Ti65Fe35)(93.15)Sn3.85Nb3 alloy displayed an ultimate compressive strength of 2.7 GPa and a compressive plastic strain of 15%. Electron microscope observations revealed Ti-Fe(Sn,Nb) alloys having a bimodal microstructure with micrometer-scale primary TiFe dendrites distributed in an ultrafine eutectic (-Ti+TiFe) matrix. The orientation relationship of -Ti with TiFe phases is TiFe (011)[100] vertical bar -Ti (011)[100]. The improved mechanical properties are attributed to the morphology of the phase constituents and the larger lattice mismatches between -Ti and TiFe phases due to the additions of Sn and Nb. C1 [Cao, G. H.; Zhou, Y. N.; Liu, N.; Li, X.] Shanghai Univ, Dept Mat Engn, Shanghai 200072, Peoples R China. [Russell, A. M.] US DOE, Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. [Russell, A. M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Gerthsen, D.] Karlsruher Inst Technol, Lab Elektronenmikroskopie, D-76128 Karlsruhe, Germany. RP Cao, GH (reprint author), Shanghai Univ, Dept Mat Engn, Shanghai 200072, Peoples R China. EM ghcao@shu.edu.cn RI Gerthsen, Dagmar/I-4448-2012; OI Russell, Alan/0000-0001-5264-0104 FU National Natural Science Foundation of China (NSFC) [51271107]; Innovation Program of Shanghai Municipal Education Commission [13ZZ077]; Network for Functional Nanostructures - Baden-Wurttemberg Foundation; US Department of Energy by Iowa State University [DE-AC02-07CH11358] FX This work was supported by the National Natural Science Foundation of China (NSFC) under Grant No. 51271107, the Innovation Program of Shanghai Municipal Education Commission under Grant No. 13ZZ077, and the Network for Functional Nanostructures funded by the Baden-Wurttemberg Foundation. The Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 34 TC 1 Z9 1 U1 0 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1521-4079 J9 CRYST RES TECHNOL JI Cryst. Res. Technol. PD MAY PY 2014 VL 49 IS 5 BP 338 EP 344 DI 10.1002/crat.201400035 PG 7 WC Crystallography SC Crystallography GA AG6HF UT WOS:000335519000009 ER PT J AU Wang, GJ Tomasi, D Volkow, ND Wang, R Telang, F Caparelli, EC Dunayevich, E AF Wang, G-J Tomasi, D. Volkow, N. D. Wang, R. Telang, F. Caparelli, E. C. Dunayevich, E. TI Effect of combined naltrexone and bupropion therapy on the brain's reactivity to food cues SO INTERNATIONAL JOURNAL OF OBESITY LA English DT Article DE fMRI; naltrexone; bupropion ID NEURONAL RESPONSE; OBESE INDIVIDUALS; PREFRONTAL CORTEX; VENTRAL STRIATUM; EATING BEHAVIOR; ACTIVATION; HUMANS; HIPPOCAMPUS; CIRCUITRY; STIMULI AB OBJECTIVE: The significant weight loss observed with combination naltrexone-sustained release (SR) 32mg and bupropion SR 360mg (NB32) therapy is thought to be due, in part, to bupropion stimulation of hypothalamic pro-opiomelanocortin (POMC) neurons, and naltrexone blockade of opioid receptor-mediated POMC autoinhibition, but the neurobiological mechanisms are not fully understood. We assessed changes in brain reactivity to food cues before and after NB32 treatment. METHODS: Forty women (31.1 +/- 8.1 years; body mass index: 32.5 +/- 3.9) received 4 weeks of NB32 or placebo, and were instructed to maintain their dietary and exercise habits. Functional magnetic resonance imaging responses (analyzed using SPM2 and clusters (> 100 pixels)) to a 5-min food video (preparation of the subject's favorite food) and a 5-min neutral video (manipulation of neutral objects) under conditions of mild food deprivation (similar to 14 h) were assessed before and after treatment. RESULTS: The food cues video induced positive brain activation in visual and prefrontal cortices, insula and subcortical brain regions. The group-by-treatment interaction on regional brain activation was significant and showed that whereas NB32 attenuated the activation in the hypothalamus in response to food cues (P<0.01), it enhanced activation in regions involved in inhibitory control (anterior cingulate), internal awareness (superior frontal, insula, superior parietal) and memory (hippocampal) regions (whole-brain analysis; P<0.05). CONCLUSIONS: Blunting the hypothalamic reactivity to food cues while enhancing the activation of regions involved with self-control and internal awareness by NB32 might underlie its therapeutic benefits in obesity. C1 [Wang, G-J; Wang, R.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Wang, G-J] SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. [Tomasi, D.; Volkow, N. D.; Telang, F.] NIAAA, Neuroimaging Lab, Intramural Program, Upton, NY USA. [Volkow, N. D.] NIDA, Off Director, Bethesda, MD 20892 USA. [Caparelli, E. C.] SUNY Stony Brook, Dept Psychol, Stony Brook, NY 11794 USA. [Dunayevich, E.] Amgen Inc, Newbury Pk, CA USA. RP Wang, GJ (reprint author), Brookhaven Natl Lab, Dept Biosci, POB 5000,30 Bell Ave,Bldg 490, Upton, NY 11973 USA. EM gjwang@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU Orexigen Therapeutics Inc.; Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse [Z01AA000550] FX We thank Karen Apelskog-Torres for study protocol preparation, Millard Jayne for subject recruitment, Barbara Hubbard and Pauline Carter for patient care and Orexigen Therapeutics for scientific review of the manuscript. The functional MR study was carried out at Brookhaven National Laboratory with support from Orexigen Therapeutics Inc. (GJW) and in part from Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse, Z01AA000550 (NDV, FT, MJ). NR 46 TC 14 Z9 14 U1 0 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0307-0565 EI 1476-5497 J9 INT J OBESITY JI Int. J. Obes. PD MAY PY 2014 VL 38 IS 5 BP 682 EP 688 DI 10.1038/ijo.2013.145 PG 7 WC Endocrinology & Metabolism; Nutrition & Dietetics SC Endocrinology & Metabolism; Nutrition & Dietetics GA AG5FQ UT WOS:000335445300010 PM 23924756 ER PT J AU Saunders, N Miles, M Hartman, T Hovanski, Y Hong, ST Steel, R AF Saunders, Nathan Miles, Michael Hartman, Trent Hovanski, Yuri Hong, Sung-Tae Steel, Russell TI Joint strength in high speed friction stir spot welded DP 980 steel SO INTERNATIONAL JOURNAL OF PRECISION ENGINEERING AND MANUFACTURING LA English DT Article DE Friction stir spot welding; Advanced high strength steel; Joint strength; Tool wear ID CARBON-STEEL; ALUMINUM AB High speed friction stir spot welding was applied to 1.2 mm thick DP 980 steel sheets under different welding conditions, using PCBN tools. The range of vertical feed rates used during welding was 2.5 similar to 102 mm per minute, while the range of spindle speeds was 2500 similar to 6000 rpm. Extended testing was carried out for five different sets of welding conditions, until tool failure. These welding conditions resulted in vertical welding loads of 3.6 similar to 8.2 kN and lap shear tension failure loads of 8.9 similar to 11.1 kN. PCBN tools were shown, in the best case, to provide lap shear tension failure loads at or above 9 kN for 900 spot welds, after which tool failure caused a rapid drop in joint strength. Joint strength was shown to be strongly correlated to bond area, which was measured from weld cross sections. Failure modes of the tested joints were a function of bond area and softening that occurred in the heat-affected zone. C1 [Saunders, Nathan; Miles, Michael; Hartman, Trent] Brigham Young Univ, Provo, UT 84602 USA. [Hovanski, Yuri] Pacific NW Natl Lab, Richland, WA 99352 USA. [Hong, Sung-Tae] Univ Ulsan, Sch Mech Engn, Ulsan 680749, South Korea. [Steel, Russell] Megastir Technol, Orem, UT 84058 USA. RP Miles, M (reprint author), Brigham Young Univ, Provo, UT 84602 USA. EM mmiles@byu.edu RI Choi, Seungtae/C-6821-2011; Hong, Sung Tae/K-2720-2015 OI Choi, Seungtae/0000-0002-4119-9787; Hong, Sung Tae/0000-0003-2263-7099 FU National Science Foundation grant [CMMI-1131203]; Department of Energy PNNL [116126] FX This work was supported by National Science Foundation grant CMMI-1131203 and by funding from Department of Energy PNNL subcontract 116126. NR 20 TC 4 Z9 4 U1 2 U2 16 PU KOREAN SOC PRECISION ENG PI SEOUL PA RM 306, KWANGMYUNG BLDG, 5-4 NONHYUN-DONG, KANGNAM-GU, SEOUL, 135-010, SOUTH KOREA SN 2234-7593 EI 2005-4602 J9 INT J PRECIS ENG MAN JI Int. J. Precis. Eng. Manuf. PD MAY PY 2014 VL 15 IS 5 BP 841 EP 848 DI 10.1007/s12541-014-0407-9 PG 8 WC Engineering, Manufacturing; Engineering, Mechanical SC Engineering GA AG6YK UT WOS:000335564800007 ER PT J AU Gibbs, PJ AF Gibbs, Paul J. TI Phase Transformations in Steels: Processing, Microstructure, and Performance SO JOM LA English DT Editorial Material C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Gibbs, PJ (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663,MS G770, Los Alamos, NM 87545 USA. EM pgibbs@lanl.gov NR 0 TC 0 Z9 0 U1 2 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 MAY PY 2014 VL 66 IS 5 BP 739 EP 739 DI 10.1007/s11837-014-0910-6 PG 1 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AG6BP UT WOS:000335503700010 ER PT J AU Caballero, FG Garcia-Mateo, C Miller, MK AF Caballero, F. G. Garcia-Mateo, C. Miller, M. K. TI Design of Novel Bainitic Steels: Moving from UltraFine to Nanoscale Structures SO JOM LA English DT Article ID ASSISTED MULTIPHASE STEELS; LOW-TEMPERATURE BAINITE; DUAL-PHASE STEELS; NANOSTRUCTURED BAINITE; SILICON STEEL; ATOM-PROBE; TRANSFORMATION; MARTENSITE; IRON; AUSTENITE AB The concepts of phase transformation theory can be exploited to design nanostructured steels that transform to bainite at temperatures as low as 150A degrees C. The microstructure obtained is so refined that it is possible to achieve strength in excess of 2.5 GPa in a material that has considerable toughness (40 MPam(1/2)). Such a combination of properties has never been achieved before with bainite. A description of the characteristics and significance of this remarkable microstructure in the context of the mechanism of transformation is provided. C1 [Caballero, F. G.; Garcia-Mateo, C.] Natl Ctr Met Res CENIM CSIC, Madrid 28040, Spain. [Miller, M. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Caballero, FG (reprint author), Natl Ctr Met Res CENIM CSIC, Avda Gregorio del Amo 8, Madrid 28040, Spain. EM fgc@cenim.csic.es RI CABALLERO, FRANCISCA/A-4292-2008; Garcia-Mateo, Carlos/A-7752-2008; OI Garcia-Mateo, Carlos/0000-0002-4773-5077; Caballero, Francisca/0000-0002-5548-7659 FU Spanish Ministry of Science and Innovation [MAT2010-15330]; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors gratefully acknowledge the support of the Spanish Ministry of Science and Innovation for funding this research under the contract MAT2010-15330, respectively. Atom-probe tomography research (M.K.M.) was supported through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 56 TC 9 Z9 9 U1 1 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAY PY 2014 VL 66 IS 5 BP 747 EP 755 DI 10.1007/s11837-014-0908-0 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AG6BP UT WOS:000335503700012 ER PT J AU Dong, R Calzolari, A di Felice, R El-Shafei, A Hussain, M Nardelli, MB AF Dong, Rui Calzolari, Arrigo di Felice, Rosa El-Shafei, Ahmed Hussain, Maqbool Nardelli, Marco Buongiorno TI Optical Enhancement in Heteroleptic Ru(II) Polypyridyl Complexes Using Electron-Donor Ancillary Ligands SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SENSITIZED SOLAR-CELLS; DENSITY-FUNCTIONAL THEORY; ABSORPTION-SPECTRUM; EXCITED-STATES; DYE; RU(4,4'-COOH-2,2'-BPY)(2)(NCS)(2); CHALLENGES; LIGHT AB Organic dyes are a viable alternative to silicon for energy conversion. Using simulations from first-principles, we show that chemical manipulation is a powerful tool for tuning the optical absorption spectra of a special class of dyes in a way that is convenient for exploitation in dyesensitized solar cells. Specifically, we have carried out density functional theory calculations on three Ru(II) polypyridyl complexes with electron-donor ancillary ligands. These complexes were recently developed to study how different electron-donor ancillary ligands affect the photophysical and electrochemical properties of these dyes for light harvesting and photon-to-electron conversion efficiency. We found that the electron-donor ancillary ligands significantly enhance the light harvesting in the visible and the near-infrared regions relative to the reference dye N3. Furthermore, we detected a decrease in the ionization potential, which improves the energy alignment with the redox potentials of the electrolyte. These findings demonstrated that better organic were developed. materials for energy applications C1 [Dong, Rui] N Carolina State Univ, Dept Phys, Raleigh, NC 27607 USA. [Calzolari, Arrigo; di Felice, Rosa] CNR NANO Ist Nanosci, Ctr S3, I-41125 Modena, Italy. [Calzolari, Arrigo; Nardelli, Marco Buongiorno] Univ N Texas, Dept Phys, Denton, TX 76203 USA. [di Felice, Rosa] Univ So Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA. [El-Shafei, Ahmed; Hussain, Maqbool] N Carolina State Univ, Polymer & Color Chem Program, Raleigh, NC 27695 USA. [Nardelli, Marco Buongiorno] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Nardelli, Marco Buongiorno] Oak Ridge Natl Lab, CSMD, Oak Ridge, TN 37831 USA. RP Nardelli, MB (reprint author), Univ N Texas, Dept Phys, Denton, TX 76203 USA. EM mbn@unt.edu RI Calzolari, Arrigo/B-8448-2015; OI Calzolari, Arrigo/0000-0002-0244-7717; DIFELICE, ROSA/0000-0002-7772-6550 FU Italian Institute of Technology through Seed project MOPROSURF; Computational Platform; Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory [DE-AC05-00OR22725]; UT-Battelle, LLC FX This work has been funded, in part, by the Italian Institute of Technology through Seed project MOPROSURF (2010-2013) and the Computational Platform and by the Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. Calculations have been run at NCCS-ORNL and NCSU-HPC Initiative. NR 32 TC 0 Z9 0 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 8747 EP 8755 DI 10.1021/jp409733a PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100002 ER PT J AU Huang, P Pham, TA Galli, G Schwegler, E AF Huang, Patrick Tuan Anh Pham Galli, Giulia Schwegler, Eric TI Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID FREQUENCY VIBRATIONAL SPECTROSCOPY; 1ST PRINCIPLES SIMULATIONS; DENSITY-FUNCTIONAL THEORY; ALPHA-AL2O3 0001; ALUMINA SURFACES; LIQUID WATER; CHEMISTRY; ACCURACY; LEVEL AB We investigated the atomic structure and infrared spectra of the alumina(0001)/water interface, using first-principles molecular dynamics simulations based on density functional theory within the generalized gradient approximation. The computed structural properties of the interface are in good agreement with the results of synchrotron X-ray experiments. Detailed analyses of the computed infrared spectra revealed two types of water molecules at the hydrophilic oxide/water interface: molecules participating in strong "ice-like" hydrogen bonding with the oxide surface and molecules involved in weaker "liquid-like" hydrogen bonding. Our results provide a molecular interpretation of the "ice-like" and "liquid-like" bands observed in sum-frequency vibrational spectroscopy experiments and underscore the significance of strong hydrogen-bonding interactions in determining the orientation of interfacial water molecules. C1 [Huang, Patrick; Tuan Anh Pham; Schwegler, Eric] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Tuan Anh Pham] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Galli, Giulia] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Huang, P (reprint author), Calif State Univ East Bay, Dept Chem & Biochem, Hayward, CA 94542 USA. EM patrick.huang@csueastbay.edu RI Schwegler, Eric/A-2436-2016; OI Schwegler, Eric/0000-0003-3635-7418; Huang, Patrick/0000-0003-4833-8134 FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; U.S. Department of Energy Office of Biological and Environmental Research, Subsurface Biogeochemical Research Program; LLNL Lawrence Scholar program; DOE-BES [DE-SC0008938] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. Funding for this work was provided by the U.S. Department of Energy Office of Biological and Environmental Research, Subsurface Biogeochemical Research Program. TAP. acknowledges support from the LLNL Lawrence Scholar program. G.G. and E.S. acknowledge support from DOE-BES Grant DE-SC0008938. High-performance supercomputing resources were provided by an allocation from the LLNL Institutional Unclassified Computing Grand Challenge Program. NR 45 TC 8 Z9 8 U1 10 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 8944 EP 8951 DI 10.1021/jp4123002 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100026 ER PT J AU Anderson, VR Leick, N Clancey, JW Hurst, KE Jones, KM Dillon, AC George, SM AF Anderson, Virginia R. Leick, Noemi Clancey, Joel W. Hurst, Katherine E. Jones, Kim M. Dillon, Anne C. George, Steven M. TI Atomic Layer Deposition of Platinum Nanoparticles on Titanium Oxide and Tungsten Oxide Using Platinum(II) Hexafluoroacetylacetonate and Formalin as the Reactants SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; THIN-FILM GROWTH; INFRARED ABSORPTION; COPPER SURFACES; FUEL-CELLS; CO; CATALYSTS; FTIR; SPECTROSCOPY; ADSORPTION AB Pt nanoparticles were grown on titanium oxide and tungsten oxide at 200 degrees C by Pt atomic layer deposition (ALD) using platinum(II) hexafluoroacetylacetonate [Pt(hfac)(2)] and formalin as the reactants. The Pt ALD surface chemistry and Pt nanoparticles were examined using in situ Fourier transform infrared (FTIR) vibrational spectroscopy and ex situ transmission electron microscopy (TEM). The FTIR spectra identified the surface species after the Pt(hfac)(2) and formalin exposures on TiO2. An infrared feature at similar to 2100 cm(-1) in the FTIR spectrum after Pt(hfac)(2) and formalin exposures on TiO2 was consistent with CO on Pt, revealing that Pt(hfac)(2) and formalin exposures led to the formation of Pt nanoparticles. The FTIR spectrum of Pt(hfac)(2) on TiO2 was very similar to the FTIR spectrum of hexafluoroacetylacetone (hfacH) on TiO2. The FTIR spectra also revealed that hfacH blocked the adsorption of Pt(hfac)(2) on TiO2. The coverage of the Pt nanoparticles could be reduced by preadsorbing hfacH on TiO2 prior to Pt(hfac)(2) adsorption. Time-dependent FTIR spectra showed that the coverage of hfacH and its adsorption products were reduced versus time following hfacH exposure. Pt ALD on WOx at 200 degrees C led to the growth of Pt nanoparticles that were fairly similar to the Pt nanoparticles from Pt ALD on TiO2. The TEM images revealed that the size of the Pt nanoparticles on WOx could be adjusted by varying the number of Pt ALD cycles. Because of site-blocking by the hfac ligands, the Pt(hfac)(2) and formalin reactants required many more ALD cycles for nucleation and growth compared with other Pt ALD surface chemistries. C1 [Anderson, Virginia R.; Clancey, Joel W.; George, Steven M.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [George, Steven M.] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Leick, Noemi] Tech Univ Eindhoven, NL-5600 MB Eindhoven, Netherlands. [Hurst, Katherine E.; Jones, Kim M.; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP George, SM (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. EM steven.george@colorado.edu RI George, Steven/O-2163-2013 OI George, Steven/0000-0003-0253-9184 FU DOE under the EERE Fuel Cell Technology Program FX This work is dedicated to Dr. Anne C. Dillon, who was a former student and collaborator. Her early passing took away a colleague with deep insight and infectious enthusiasm. This work was funded by the DOE under the EERE Fuel Cell Technology Program. We thank Dr. Andrew Cavanagh for X-ray photoelectron spectroscopy (XPS) sample analysis. We also appreciate useful conversations on Pt ALD with Dr. Layton Baker, who is now at the Jet Propulsion Laboratory. NR 69 TC 14 Z9 14 U1 5 U2 65 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 8960 EP 8970 DI 10.1021/jp412539y PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100028 ER PT J AU Camara, AL Corberan, VC Barrio, L Zhou, G Si, R Hanson, JC Monte, M Conesa, JC Rodriguez, JA Martinez-Arias, A AF Lopez Camara, A. Cortes Corberan, V. Barrio, L. Zhou, G. Si, R. Hanson, J. C. Monte, M. Conesa, J. C. Rodriguez, J. A. Martinez-Arias, A. TI Improving the CO-PROX Performance of Inverse CeO2/CuO Catalysts: Doping of the CuO Component with Zn SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ZINC-OXIDE CATALYSTS; CARBON-MONOXIDE OXIDATION; AUGMENTED-WAVE METHOD; EXPOSED FACE PRESENT; PREFERENTIAL OXIDATION; CUO/CEO2 CATALYSTS; X-RAY; EXCESS H-2; ABSORPTION-SPECTROSCOPY; CUO-CEO2 CATALYSTS AB An inverse CeO2/CuO catalyst in which the CuO component has been doped with Zn is examined in comparison with the analogous Zn-free catalyst with the aim of enhancing the performance of this type of systems for preferential oxidation of CO in H-2-rich stream (CO-PROX). The catalysts are characterized by XRD, Raman spectroscopy, XANES-EXAFS, XPS, and HRTEM. Their catalytic properties are explored in conjunction with redox properties studied by XANES, XRD, and DRIFTS under reaction conditions with MS detection. It is shown that the presence of zinc enhances the CO-PROX performance of the inverse system through decreasing its H-2 oxidation activity, while the CO oxidation activity does not practically become affected. This is related to an increase in the CO2 selectivity of the catalyst that has been attributed to a hindering of the reduction of the CuO component, thus preventing the formation of H-2 oxidation active sites under reaction conditions. A model of the structural and catalytic effects induced by the presence of zinc in the catalyst is proposed on the basis of the multitechnique approach employed. C1 [Lopez Camara, A.; Cortes Corberan, V.; Barrio, L.; Monte, M.; Conesa, J. C.; Martinez-Arias, A.] CSIC, Inst Catalisis & Petr Quim, Madrid 28049, Spain. [Barrio, L.; Zhou, G.; Si, R.; Hanson, J. C.; Rodriguez, J. A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Camara, AL (reprint author), CSIC, Inst Catalisis & Petr Quim, C Marie Curie 2,Campus Cantoblanco, Madrid 28049, Spain. EM alcamara@icp.csic.es; rodrigez@bnl.gov; amartinez@icp.csic.es RI Cortes Corberan, Vicente/E-8329-2010; COST, CM1104/I-8057-2015; Hanson, jonathan/E-3517-2010; Conesa, Jose/H-6277-2011; OI Cortes Corberan, Vicente/0000-0001-7479-215X; Conesa, Jose/0000-0001-9906-8520; Barrio, Laura/0000-0002-6919-6414 FU CSIC; MINECO; MICINN [Plan Nacional CTQ2009-14527, CTQ2012-32928]; Comunidad de Madrid [DIVERCEL S2009/ENE-1475]; EU COST action [CM1104]; U.S. Department of Energy (Chemical Sciences Division) [DE-AC02-98CH10886]; FP7 People program under the project Marie Curie [IOF-219674] FX A.L.C. and M.M. thanks the CSIC and MINECO for a JAE and FPI Ph.D. grants/contracts, respectively. Financial support by MICINN or MINECO (Plan Nacional CTQ2009-14527 and CTQ2012-32928 projects) and Comunidad de Madrid (Project DIVERCEL S2009/ENE-1475) is acknowledged. Support from EU COST action CM1104 is also thanked. The research at BNL was supported by the U.S. Department of Energy (Chemical Sciences Division, DE-AC02-98CH10886). L.B. acknowledges funding by FP7 People program under the project Marie Curie IOF-219674. Thanks are due to ICP-CSIC Unidad de Apoyo for specific surface area and HRTEM measurements. We thank Dr. Laura Simonelli and the rest of the staff at CLAESS beamline for the help provided during XAFS measurements at ALBA Synchrotron Light Facility. NR 58 TC 11 Z9 11 U1 6 U2 56 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 9030 EP 9041 DI 10.1021/jp5009384 PG 12 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100035 ER PT J AU Albrecht, PM Jiang, DE Mullins, DR AF Albrecht, Peter M. Jiang, De-en Mullins, David R. TI CO2 Adsorption As a Flat-Lying, Tridentate Carbonate on CeO2(100) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID FILM CERIUM OXIDE; PHOTOELECTRON-SPECTROSCOPY XPS; DENSITY-FUNCTIONAL THEORY; ABSORPTION FINE-STRUCTURE; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; THIN-FILMS; INFRARED-SPECTROSCOPY; ELECTRONIC-STRUCTURE; MAGNESIUM-OXIDE AB Results of an experimental and computational study of CO2 adsorption onto a CeOX(100) thin-film surface are reported. For both oxidized CeO2(100) and reduced CeO1.7(100), a 5 L dose of CO2 at 180 K resulted in mainly carbonate ([CO3](2-)) on the surface with a minute amount of physisorbed CO2 that desorbed by 250 K based on C 1s and O Is photoemission and C k-edge NEXAFS. No evidence for the formation of a carboxylate intermediate was indicated. Angle-dependent C k-edge NEXAFS revealed that the carbonate species was oriented parallel to the surface suggesting a tridentate configuration. Various adsorption geometries were tested using DFT PBE+U calculations. The most stable configuration was a carbonate with its molecular plane parallel to the surface and each O atom bonded to two Ce cations. Through temperature-programmed desorption (TPD), it was determined that CO2 was the sole reaction product. CO was not detected in the TPD for the reduced surface, indicating that reoxidation of a reduced CeO2-X(100) surface by CO2 did not occur. TPD and photoemission indicated that the coverage and the thermal stability of the [CO3](2-) intermediate were greater on partially reduced CeO1.7(100) compared to CeO2(100). C1 [Albrecht, Peter M.; Jiang, De-en; Mullins, David R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Mullins, DR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM mullinsdr@ornl.gov RI Jiang, De-en/D-9529-2011 OI Jiang, De-en/0000-0001-5167-0731 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DEAC02-98CH10886] FX P.M.A. would like to thank G. Nintzel for expert technical assistance. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. 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 DEAC02-98CH10886. NR 59 TC 21 Z9 21 U1 10 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 9042 EP 9050 DI 10.1021/jp501201b PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100036 ER PT J AU Olsen, RE Alam, TM Bartholomew, CH Enfield, DB Woodfield, BF AF Olsen, Rebecca E. Alam, Todd M. Bartholomew, Calvin H. Enfield, David B. Woodfield, Brian F. TI Structure Analysis of Al-Modified TiO2 Nanocatalyst Supports SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TEMPERATURE SPECIFIC-HEAT; CAPILLARY CONDENSATION; TITANIUM-DIOXIDE; PORE STRUCTURE; NANOPARTICLES; HYSTERESIS; SIZE; ADSORPTION; OXIDATION; OXIDES AB The structures of Al-modified anatase TiO2 supports were analyzed using traditional analysis techniques of X-ray diffraction, transmission electron microscopy, and N-2 sorption as well as X-ray absorption near-edge spectroscopy, Al-27 magic-angle spinning NMR, and low-temperature heat capacity. The combined results from these characterizations reveal that the Al dopant is incorporated either on the surface or in vacancies depending on the details of the synthetic method used. Alumina incorporated on the surface stabilizes TiO2 by lowering the surface energy of anatase and stabilizing planes with high surface energy that would otherwise join to achieve a reduced surface energy. On the other hand, Al incorporated in TiO2 vacancies stabilizes the structure through increasing lattice strain and limiting mass transport necessary for grain growth. The 22 mol % Al-modified TiO2 with Al on the surface had average crystallite diameter of 6 nm, surface area of 184 m(2)g(-1), pore volume of 0.34 cm(3)g(-1), and pore diameter of 6.4 nm compared with the 22 mol % Al-modified TiO2 with Al incorporated in vacancies and on the surface which had average crystallite diameter of 2 3 nm, surface area of 471 m(2) g(-1), pore volume of 0.44 cm(3) g(-1), and pore diameter of 4.4 nm. This work demonstrates the importance of structure analysis of doped nanomaterials in the development of stabilized catalysts and catalyst supports. C1 [Olsen, Rebecca E.; Enfield, David B.; Woodfield, Brian F.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. [Alam, Todd M.] Sandia Natl Labs, Dept Elect Opt & Nanostruct Mat, Albuquerque, NM 87185 USA. [Bartholomew, Calvin H.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. RP Woodfield, BF (reprint author), Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. EM Brian_Woodfield@byu.edu FU U.S. Department of Energy [DE-FG02-05ER15666]; National Science Foundation Grant [CHE-0959862]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding for this work was provided by the U.S. Department of Energy Grant DE-FG02-05ER15666 and the National Science Foundation Grant CHE-0959862. We thank Dr. Jeff Farrer and the BYU microscopy laboratory for their assistance with TEM imaging. The solid-state NMR (TMA) measurements were performed at Sandia National Laboratories, which 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 XANES spectra were collected at the Advanced Photon Source at Argonne National Laboratory, CUP 27669. NR 45 TC 6 Z9 6 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 1 PY 2014 VL 118 IS 17 BP 9176 EP 9186 DI 10.1021/jp411953d PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG5BC UT WOS:000335433100053 ER PT J AU Ardeljan, M Beyerlein, IJ Knezevic, M AF Ardeljan, Milan Beyerlein, Irene J. Knezevic, Marko TI A dislocation density based crystal plasticity finite element model: Application to a two-phase polycrystalline HCP/BCC composites SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Dislocations; Texture; Interfaces; Crystal plasticity; Finite elements; Accumulative roll bonding ID CLOSE-PACKED METALS; BONDING ARB PROCESS; TEXTURE EVOLUTION; GRAIN-BOUNDARIES; MECHANICAL-PROPERTIES; ROLLING TEXTURES; CU-AG; VISCOPLASTIC POLYCRYSTALS; ORIENTATION GRADIENTS; DEFORMATION-BEHAVIOR AB We present a multiscale model for anisotropic, elasto-plastic, rate- and temperature-sensitive deformation of polycrystalline aggregates to large plastic strains. The model accounts for a dislocation-based hardening law for multiple slip modes and links a single-crystal to a polycrystalline response using a crystal plasticity finite element based homogenization. It is capable of predicting local stress and strain fields based on evolving microstructure including the explicit evolution of dislocation density and crystallographic grain reorientation. We apply the model to simulate monotonic mechanical response of a hexagonal close-packed metal, zirconium (Zr), and a body-centered cubic metal, niobium (Nb), and study the texture evolution and deformation mechanisms in a two-phase Zr/Nb layered composite under severe plastic deformation. The model predicts well the texture in both co-deforming phases to very large plastic strains. In addition, it offers insights into the active slip systems underlying texture evolution, indicating that the observed textures develop by a combination of prismatic, pyramidal, and anomalous basal slip in Zr and primarily {110}< 111 > slip and secondly {112}< 111 > slip in Nb. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Ardeljan, Milan; Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA. EM marko.knezevic@unh.edu RI Beyerlein, Irene/A-4676-2011 FU University of New Hampshire; Los Alamos National Laboratory Directed Research and Development (LDRD) [ER20140348] FX M.K. and M.A. were supported by the University of New Hampshire faculty startup funds. I.J.B. would like to acknowledge support through a Los Alamos National Laboratory Directed Research and Development (LDRD) project ER20140348. NR 116 TC 41 Z9 41 U1 13 U2 71 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD MAY PY 2014 VL 66 BP 16 EP 31 DI 10.1016/j.jmps.2014.01.006 PG 16 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AG7YT UT WOS:000335635400002 ER PT J AU Cai, W Sills, RB Barnett, DM Nix, WD AF Cai, W. Sills, R. B. Barnett, D. M. Nix, W. D. TI Modeling a distribution of point defects as misfitting inclusions in stressed solids SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Solute; Point defect; Hydrogen; Inclusion; Dislocation ID HYDROGEN; DISLOCATION; CRYSTALS; METAL AB The chemical equilibrium distribution of point defects modeled as non-overlapping, spherical inclusions with purely positive dilatational eigenstrain in an isotropically elastic solid is derived. The compressive self-stress inside existing inclusions must be excluded from the stress dependence of the equilibrium concentration of the point defects, because it does no work when a new inclusion is introduced. On the other hand, a tensile image stress field must be included to satisfy the boundary conditions in a finite solid. Through the image stress, existing inclusions promote the introduction of additional inclusions. This is contrary to the prevailing approach in the literature in which the equilibrium point defect concentration depends on a homogenized stress field that includes the compressive selfstress. The shear stress field generated by the equilibrium distribution of such inclusions is proved to be proportional to the pre-existing stress field in the solid, provided that the magnitude of the latter is small, so that a solid containing an equilibrium concentration of point defects can be described by a set of effective elastic constants in the small-stress limit. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Cai, W.; Sills, R. B.; Barnett, D. M.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Cai, W.; Barnett, D. M.; Nix, W. D.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Sills, R. B.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Cai, W (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. EM caiwei@stanford.edu; rbsills@stanford.edu; barnett@stanford.edu; nix@stanford.edu OI Cai, Wei/0000-0001-5919-8734 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0010412, DE-FG02-04ER46163]; Sandia National Laboratories; [DE-AC04-94AL85000] FX We wish to thank Dr. J.P. Hirth and Dr. W.G. Wolfer for useful discussions. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-SC0010412 (W.C.), and Award No. DE-FG02-04ER46163 (W.D.N.), and by Sandia National Laboratories (R.B.S.). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 25 TC 7 Z9 7 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD MAY PY 2014 VL 66 BP 154 EP 171 DI 10.1016/j.jmps.2014.01.015 PG 18 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AG7YT UT WOS:000335635400010 ER PT J AU Yanguas-Gil, A Elam, JW AF Yanguas-Gil, Angel Elam, Jeffrey W. TI Analytic expressions for atomic layer deposition: Coverage, throughput, and materials utilization in cross-flow, particle coating, and spatial atomic layer deposition SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; ALD; MODEL; DIFFUSION; APPROXIMATIONS; CONFORMALITY; PROBABILITY; PRECURSOR; CATALYSTS; KINETICS AB In this work, the authors present analytic models for atomic layer deposition (ALD) in three common experimental configurations: cross-flow, particle coating, and spatial ALD. These models, based on the plug-flow and well-mixed approximations, allow us to determine the minimum dose times and materials utilization for all three configurations. A comparison between the three models shows that throughput and precursor utilization can each be expressed by universal equations, in which the particularity of the experimental system is contained in a single parameter related to the residence time of the precursor in the reactor. For the case of cross-flow reactors, the authors show how simple analytic expressions for the reactor saturation profiles agree well with experimental results. Consequently, the analytic model can be used to extract information about the ALD surface chemistry (e. g., the reaction probability) by comparing the analytic and experimental saturation profiles, providing a useful tool for characterizing new and existing ALD processes. (C) 2014 American Vacuum Society. C1 [Yanguas-Gil, Angel; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Yanguas-Gil, A (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov RI Yanguas-Gil, Angel/G-9630-2011 OI Yanguas-Gil, Angel/0000-0001-8207-3825 FU Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059]; Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Science; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences and Office of High Energy Physics as part of the Large Area Picosecond Photodetector (LAPPD) project [DE-AC02-06CH11357] FX A.Y.G. was supported in part by the Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001059. J.W.E. was 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 (DOE), Office of Science, Office of Basic Energy Science. This work was supported in part by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences and Office of High Energy Physics under contract DE-AC02-06CH11357 as part of the Large Area Picosecond Photodetector (LAPPD) project. NR 29 TC 8 Z9 8 U1 8 U2 55 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAY PY 2014 VL 32 IS 3 AR 031504 DI 10.1116/1.4867441 PG 8 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA AH2QF UT WOS:000335965300019 ER PT J AU Esserman, LJ Thompson, IM Reid, B Nelson, P Ransohoff, DF Welch, HG Hwang, S Berry, DA Kinzler, KW Black, WC Bissell, M Parnes, H Srivastava, S AF Esserman, Laura J. Thompson, Ian M. Reid, Brian Nelson, Peter Ransohoff, David F. Welch, H. Gilbert Hwang, Shelley Berry, Donald A. Kinzler, Kenneth W. Black, William C. Bissell, Mina Parnes, Howard Srivastava, Sudhir TI Addressing overdiagnosis and overtreatment in cancer: a prescription for change SO LANCET ONCOLOGY LA English DT Article ID CARCINOMA IN-SITU; LOCALIZED PROSTATE-CANCER; NONMELANOMA-SKIN-CANCER; BREAST-CANCER; LUNG-CANCER; BARRETTS-ESOPHAGUS; UNITED-STATES; FOLLOW-UP; SCREENING MAMMOGRAPHY; ESTROGEN-RECEPTOR AB A vast range of disorders-from indolent to fast-growing lesions-are labelled as cancer. Therefore, we believe that several changes should be made to the approach to cancer screening and care, such as use of new terminology for indolent and precancerous disorders. We propose the term indolent lesion of epithelial origin, or IDLE, for those lesions (currently labelled as cancers) and their precursors that are unlikely to cause harm if they are left untreated. Furthermore, precursors of cancer or high-risk disorders should not have the term cancer in them. The rationale for this change in approach is that indolent lesions with low malignant potential are common, and screening brings indolent lesions and their precursors to clinical attention, which leads to overdiagnosis and, if unrecognised, possible overtreatment. To minimise that potential, new strategies should be adopted to better define and manage IDLEs. Screening guidelines should be revised to lower the chance of detection of minimal-risk IDLEs and inconsequential cancers with the same energy traditionally used to increase the sensitivity of screening tests. Changing the terminology for some of the lesions currently referred to as cancer will allow physicians to shift medicolegal notions and perceived risk to reflect the evolving understanding of biology, be more judicious about when a biopsy should be done, and organise studies and registries that off er observation or less invasive approaches for indolent disease. Emphasis on avoidance of harm while assuring benefit will improve screening and treatment of patients and will be equally effective in the prevention of death from cancer. C1 [Esserman, Laura J.] Univ Calif San Francisco, San Francisco, CA 94115 USA. [Thompson, Ian M.] Univ Texas Hlth Sci Ctr San Antonio, San Antonio, TX 78229 USA. [Reid, Brian; Nelson, Peter] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Ransohoff, David F.] Univ N Carolina, Chapel Hill, NC USA. [Welch, H. Gilbert] Dartmouth Coll, Hanover, NH 03755 USA. [Hwang, Shelley] Duke Univ, Durham, NC USA. [Berry, Donald A.] Univ Texas MD Anderson Canc Ctr, Houston, TX 77030 USA. [Kinzler, Kenneth W.] Johns Hopkins Univ, Baltimore, MD USA. [Black, William C.] Dartmouth Hitchcock Med Ctr, Lebanon, NH 03766 USA. [Bissell, Mina] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Parnes, Howard] NCI, Div Prostate, Bethesda, MD 20892 USA. [Parnes, Howard] NCI, Urol Canc Res Grp, Bethesda, MD 20892 USA. [Srivastava, Sudhir] NIH, Canc Biomarkers Res Grp, Canc Prevent Div, Bethesda, MD 20892 USA. RP Esserman, LJ (reprint author), Univ Calif San Francisco, Carol Franc Buck Breast Care Ctr, San Francisco, CA 94115 USA. EM laura.esserman@ucsfmedctr.org FU National Cancer Institute/Pacific Northwest Prostate Cancer SPORE [P50CA097186]; Early Cancer Detection Research Network grant [CA U01-086402] FX PN was supported by National Cancer Institute (P50CA097186)/Pacific Northwest Prostate Cancer SPORE and by an Early Cancer Detection Research Network grant (CA U01-086402). We thank Barnett Kramer, Director of the Division of Cancer Prevention at the National Cancer Institute, for his vision and continuing encouragement, and all those who lent their expertise at the National Cancer Institute, Division of Cancer Prevention brainstorming meeting held in March, 2012, to discuss issues related to determining the molecular properties of indolent and aggressive cancers and the challenge of overdiagnosis and underdiagnosis; these discussions and conclusions about fruitful future directions in the field form the basis of this Personal View. We also thank Mitch Goldman and Robert Colten for their contributions and edits to the section on skin cancers, Art Dana for his thoughtful edits and patient advocacy, and Pamela Derish and Nilan Schnure for their excellent editing of the manuscript. Nadarajen A Vydelingum, Division of Cancer Prevention at the National Cancer Institute, provided administrative support and coordination among the authors throughout the preparation of this Personal View. All of these individuals received no additional compensation for their contributions to this Personal View. NR 81 TC 87 Z9 90 U1 3 U2 27 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1470-2045 EI 1474-5488 J9 LANCET ONCOL JI Lancet Oncol. PD MAY PY 2014 VL 15 IS 6 BP E234 EP E242 PG 9 WC Oncology SC Oncology GA AG6ES UT WOS:000335512100022 PM 24807866 ER PT J AU Hattne, J Echols, N Tran, R Kern, J Gildea, RJ Brewster, AS Alonso-Mori, R Glockner, C Hellmich, J Laksmono, H Sierra, RG Lassalle-Kaiser, B Lampe, A Han, G Gul, S DiFiore, D Milathianaki, D Fry, AR Miahnahri, A White, WE Schafer, DW Seibert, MM Koglin, JE Sokaras, D Weng, TC Sellberg, J Latimers, MJ Glatzel, P Zwart, PH Grosse-Kunstleve, RW Bogan, MJ Messerschmidt, M Williams, GJ Boutet, S Messinger, J Zouni, A Yano, J Bergmann, U Yachandra, VK Adams, PD Sauter, NK AF Hattne, Johan Echols, Nathaniel Rosalie Tran Kern, Jan Gildea, Richard J. Brewster, Aaron S. Alonso-Mori, Roberto Gloeckner, Carina Hellmich, Julia Laksmono, Hartawan Sierra, Raymond G. Lassalle-Kaiser, Benedikt Lampe, Alyssa Han, Guangye Gul, Sheraz DiFiore, Doerte Milathianaki, Despina Fry, Alan R. Miahnahri, Alan White, William E. Schafer, Donald W. Seibert, M. Marvin Koglin, Jason E. Sokaras, Dimosthenis Weng, Tsu-Chien Sellberg, Jonas Latimers, Matthew J. Glatzel, Pieter Zwart, Petrus H. Grosse-Kunstleve, Ralf W. Bogan, Michael J. Messerschmidt, Marc Williams, Garth J. Boutet, Sebastien Messinger, Johannes Zouni, Athina Yano, Junko Bergmann, Uwe Yachandra, Vittal K. Adams, Paul D. Sauter, Nicholas K. TI Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers SO NATURE METHODS LA English DT Article ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; PROTEIN NANOCRYSTALLOGRAPHY; DATA-COLLECTION; DIFFRACTION; SPECTROSCOPY AB X-ray free-electron laser (XFEL) sources enable the use of crystallography to solve three-dimensional macromolecular structures under native conditions and without radiation damage. Results to date, however, have been limited by the challenge of deriving accurate Bragg intensities from a heterogeneous population of microcrystals, while at the same time modeling the X-ray spectrum and detector geometry. Here we present a computational approach designed to extract meaningful high-resolution signals from fewer diffraction measurements. C1 [Hattne, Johan; Echols, Nathaniel; Rosalie Tran; Kern, Jan; Gildea, Richard J.; Brewster, Aaron S.; Lassalle-Kaiser, Benedikt; Lampe, Alyssa; Han, Guangye; Gul, Sheraz; Zwart, Petrus H.; Grosse-Kunstleve, Ralf W.; Yano, Junko; Yachandra, Vittal K.; Adams, Paul D.; Sauter, Nicholas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Alonso-Mori, Roberto; Milathianaki, Despina; Fry, Alan R.; Miahnahri, Alan; White, William E.; Schafer, Donald W.; Seibert, M. Marvin; Koglin, Jason E.; Bogan, Michael J.; Messerschmidt, Marc; Williams, Garth J.; Boutet, Sebastien; Bergmann, Uwe] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA. [Gloeckner, Carina; Hellmich, Julia; DiFiore, Doerte; Zouni, Athina] Tech Univ Berlin, Max Volmer Lab Biophys Chem, Berlin, Germany. [Laksmono, Hartawan; Sierra, Raymond G.; Bogan, Michael J.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA USA. [Sokaras, Dimosthenis; Weng, Tsu-Chien; Sellberg, Jonas; Latimers, Matthew J.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA USA. [Sellberg, Jonas] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Glatzel, Pieter] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Messinger, Johannes] Umea Univ, Kemiskt Biol Ctr, Inst Kemi, Umea, Sweden. [Zouni, Athina] Humboldt Univ, Inst Biol, D-10099 Berlin, Germany. RP Sauter, NK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM nksauter@lbl.gov RI Sellberg, Jonas/C-6506-2009; Messerschmidt, Marc/F-3796-2010; Kern, Jan/G-2586-2013; Glatzel, Pieter/E-9958-2010; Sauter, Nicholas/K-3430-2012; Adams, Paul/A-1977-2013; Gildea, Richard/J-6862-2012 OI Sellberg, Jonas/0000-0003-2793-5052; Messerschmidt, Marc/0000-0002-8641-3302; Kern, Jan/0000-0002-7272-1603; Glatzel, Pieter/0000-0001-6532-8144; Adams, Paul/0000-0001-9333-8219; Gildea, Richard/0000-0001-5038-6958 FU US National Institutes of Health (NIH) [GM095887, GM102520]; NIH [GM055302, P41GM103393]; LCLS; Atomic, Molecular and Optical Science program, CSGB Division, OBES, DOE; SLAC National Accelerator Laboratory Directed Research and Development program; Artificial Leaf Project Umea (K&A Wallenberg Foundation); Solar Fuels Strong Research Environment Lima (Umea University); Vetenskapsradet and Swedish Energy Agency (Energimyndigheten) FX This work was supported by US National Institutes of Health (NIH) grants GM095887 and GM102520 and Director, Office of Science, US Department of Energy (DOE) under contract DE-ACO2-05CH11231 for data-processing methods (N.K.S.); Director, DOE Office of Science, Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences and Biosciences Division (CSGB) under contract DE-ACO2-05CH11231 (J.Y. and V.K.Y.); NIH grant GM055302 (V.K.Y.); and NIH grant P41GM103393 (U.B.). Sample injection was supported by LCLS (M.J.B. and D.W.S.) and the Atomic, Molecular and Optical Science program, CSGB Division, OBES, DOE (M.J.B.), and through the SLAC National Accelerator Laboratory Directed Research and Development program (M.J.B. and H.L.). J.M. was supported by the Artificial Leaf Project Umea (K&A Wallenberg Foundation), the Solar Fuels Strong Research Environment Lima (Umea University), Vetenskapsradet and Swedish Energy Agency (Energimyndigheten). Experiments were carried out at the LCLS at SLAC, an Office of Science User Facility operated for the DOE by Stanford University. We thank A. Perazzo, M. Dubrovin, I. Ofte, and A. Satnikov for collaboration on data analysis, and C. Kenney for expertise related to the CSPAD detector. NR 20 TC 62 Z9 63 U1 7 U2 64 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1548-7091 EI 1548-7105 J9 NAT METHODS JI Nat. Methods PD MAY PY 2014 VL 11 IS 5 BP 545 EP 548 DI 10.1038/NMETH.2887 PG 4 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AH1II UT WOS:000335873400020 PM 24633409 ER PT J AU Dickel, DE Zhu, YW Nord, AS Wylie, JN Akiyama, JA Afzal, V Plajzer-Frick, I Kirkpatrick, A Gottgens, B Bruneau, BG Visel, A Pennacchio, LA AF Dickel, Diane E. Zhu, Yiwen Nord, Alex S. Wylie, John N. Akiyama, Jennifer A. Afzal, Veena Plajzer-Frick, Ingrid Kirkpatrick, Aileen Goettgens, Berthold Bruneau, Benoit G. Visel, Axel Pennacchio, Len A. TI Function-based identification of mammalian enhancers using site-specific integration SO NATURE METHODS LA English DT Article ID HUMAN GENOME; IN-VIVO; GENE-EXPRESSION; TRANSGENIC MICE; SEQUENCES; MOUSE; DISSECTION; DELETION; ELEMENTS; SYSTEMS AB The accurate and comprehensive identification of functional regulatory sequences in mammalian genomes remains a major challenge. Here we describe site-specific integration fluorescence-activated cell sorting followed by sequencing (SIF-seq), an unbiased, medium-throughput functional assay for the discovery of distant-acting enhancers. Targeted single-copy genomic integration into pluripotent cells, reporter assays and flow cytometry are coupled with high-throughput DNA sequencing to enable parallel screening of large numbers of DNA sequences. By functionally interrogating >500 kilobases (kb) of mouse and human sequence in mouse embryonic stem cells for enhancer activity we identified enhancers at pluripotency Loci including NANOG. In in vitro differentiated cardiomyocytes and neural progenitor cells, we identified cardiac enhancers and neuronal enhancers, respectively. SIF-seq is a powerful and flexible method for de novo functional identification of mammalian enhancers in a potentially wide variety of cell C1 [Dickel, Diane E.; Zhu, Yiwen; Nord, Alex S.; Akiyama, Jennifer A.; Afzal, Veena; Plajzer-Frick, Ingrid; Visel, Axel; Pennacchio, Len A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Wylie, John N.; Bruneau, Benoit G.] Gladstone Inst Cardiovasc Dis, San Francisco, CA USA. [Wylie, John N.; Bruneau, Benoit G.] Gladstone Inst, Roddenberry Ctr Stem Cell Biol & Med, San Francisco, CA USA. [Kirkpatrick, Aileen; Goettgens, Berthold] Univ Cambridge, Cambridge Inst Med Res, Cambridge, England. [Kirkpatrick, Aileen; Goettgens, Berthold] Univ Cambridge, Wellcome Trust Med Res Council Cambridge Stem Cel, Cambridge, England. [Bruneau, Benoit G.] Univ Calif San Francisco, Dept Pediat, San Francisco, CA USA. [Bruneau, Benoit G.] Univ Calif San Francisco, Cardiovasc Res Inst, San Francisco, CA 94143 USA. [Visel, Axel; Pennacchio, Len A.] US DOE, Joint Genome Inst, Walnut Creek, CA USA. RP Visel, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. EM avisel@lbl.gov; lapennacchio@lbl.gov RI Visel, Axel/A-9398-2009; OI Visel, Axel/0000-0002-4130-7784; Dickel, Diane/0000-0001-5497-6824 FU US National Institute of Health (NIH) [U01DE020060, R01HG003988, U54HG006997, 5T32HL098057]; NIH Bench to Bassinet Program [U01HL098179]; UK National Centre for the Replacement, Refinement and Reduction of Animals in Research; UK Biotechnology and Biological Sciences Research Council; Wellcome Trust to the Cambridge Institute for Medical Research; Wellcome Trust Medical Research Council Cambridge Stem Cell Institute; US Department of Energy [DE-ACO2-05CH11231] FX We thank S. Bronson (Pennsylvania State University) for the pSKB1 plasmid, A. Miyawaki (RIKEN) for the Venus gene, and R. Malmstrom, K. Singh and Z. Zhao for technical help. A.V. and L.A.P. were supported by US National Institute of Health (NIH) grants U01DE020060, R01HG003988 and U54HG006997. D.E.D. was supported by NIH grant 5T32HL098057 (to Children's Hospital Oakland Research Institute). B.G.B. was supported by NIH Bench to Bassinet Program (U01HL098179). A.K. and B.G. were supported by the UK National Centre for the Replacement, Refinement and Reduction of Animals in Research, the UK Biotechnology and Biological Sciences Research Council, and core support grants by the Wellcome Trust to the Cambridge Institute for Medical Research and Wellcome Trust Medical Research Council Cambridge Stem Cell Institute. Research was conducted at the E.O. Lawrence Berkeley National Laboratory and performed under US Department of Energy Contract DE-ACO2-05CH11231, University of California. NR 39 TC 34 Z9 34 U1 2 U2 17 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1548-7091 EI 1548-7105 J9 NAT METHODS JI Nat. Methods PD MAY PY 2014 VL 11 IS 5 BP 566 EP 571 DI 10.1038/NMETH.2886 PG 6 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AH1II UT WOS:000335873400025 PM 24658141 ER PT J AU Afra, B Lang, M Bierschenk, T Rodriguez, MD Weber, WJ Trautmann, C Ewing, RC Kirby, N Kluth, P AF Afra, B. Lang, M. Bierschenk, T. Rodriguez, M. D. Weber, W. J. Trautmann, C. Ewing, R. C. Kirby, N. Kluth, P. TI Annealing behaviour of ion tracks in olivine, apatite and britholite SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE SAXS; Ion track; Apatite; Olivine; Britholite; Activation energy ID FISSION FRAGMENT TRACKS; RADIATION-DAMAGE; ACTIVATION-ENERGY; X-RAY; KINETICS; AMORPHIZATION; MINERALS; ZIRCON; HEAVY; THERMOCHRONOLOGY AB Ion tracks were created in olivine from San Carlos, Arizona (95% Mg2SiO4), apatite (Ca-5(PO4)(3)(F,Cl,O)) from Durango, Mexico, and synthetic silicates with the apatite structure: Nd8Sr2(SiO4)(6)O-2 and Nd5Ca2(SiO4)(6)O-2 using 1.6 and 2.2 GeV Au ions. The morphology and annealing behaviour of the tracks were investigated by means of synchrotron based small angle X-ray scattering in combination with ex situ annealing. Tracks in olivine annealed above 400 degrees C undergo a significant change in track radius due to recrystallisation of the damage tracks. At temperatures higher than 620 degrees C, the scattering images indicate fragmentation of the track cylinders into smaller subsections. Ion tracks were annealed at elevated temperatures up to 400 degrees C in the Durango and Ca-britholite, and up to 560 degrees C in Sr-britholite. While there was a significant change in the track radii in the Durango apatite, tracks in the two synthetic samples remained almost unchanged. (C) 2014 Elsevier B.V. All rights reserved. C1 [Afra, B.; Bierschenk, T.; Rodriguez, M. D.; Kluth, P.] Australian Natl Univ, Res Sch Phys & Engn, Dept Elect Mat Engn, Canberra, ACT 0200, Australia. [Lang, M.; Ewing, R. C.] Univ Michigan, Dept Geol Sci, Ann Arbor, MI 48109 USA. [Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Weber, W. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. [Trautmann, C.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Trautmann, C.] Tech Univ Darmstadt, D-64289 Darmstadt, Germany. [Kirby, N.] Australian Synchrotron, Clayton, Vic 3168, Australia. RP Kluth, P (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Dept Elect Mat Engn, GPO Box 4, Canberra, ACT 0200, Australia. EM patrick.kluth@anu.edu.au RI Weber, William/A-4177-2008; Kluth, Patrick/A-1497-2008 OI Weber, William/0000-0002-9017-7365; Kluth, Patrick/0000-0002-1806-2432 FU Office of Basic Energy Sciences of the USDOE [DE-FG02-97ER45656]; Australian Research Council FX This research was undertaken on the SAXS/WAXS beam line at the Australian Synchrotron, Victoria, Australia. PK acknowledges the Australian Research Council for financial support. The work at the University of Michigan was supported by the Office of Basic Energy Sciences of the USDOE (DE-FG02-97ER45656). NR 48 TC 3 Z9 3 U1 1 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 126 EP 130 DI 10.1016/j.nimb.2013.10.072 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300031 ER PT J AU Jozwik, P Sathish, N Nowicki, L Jagielski, J Turos, A Kovarik, L Arey, B AF Jozwik, P. Sathish, N. Nowicki, L. Jagielski, J. Turos, A. Kovarik, L. Arey, B. TI Monte Carlo simulations of backscattering process in dislocation-containing SrTiO3 single crystal SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Defects; Dislocations; Ion channeling; Monte Carlo simulations; Ion implantation ID MECHANISM AB Studies of defects formation in crystals are of obvious importance in electronics, nuclear engineering and other disciplines where materials are exposed to different forms of irradiation. Rutherford Backscattering/Channeling (RBS/C) and Monte Carlo (MC) simulations are the most convenient tool for this purpose, as they allow one to determine several features of lattice defects: their type, concentration and damage accumulation kinetic. On the other hand various irradiation conditions can be efficiently modeled by ion irradiation method without leading to the radioactivity of the sample. Combination of ion irradiation with channeling experiment and MC simulations appears thus as a most versatile method in studies of radiation damage in materials. The paper presents the results on such a study performed on SrTiO3 (STO) single crystals irradiated with 320 key Ar ions. The samples were analyzed also by using HRTEM as a complementary method which enables the measurement of geometrical parameters of crystal lattice deformation in the vicinity of dislocations. Once the parameters and their variations within the distance of several lattice constants from the dislocation core are known, they may be used in MC simulations for the quantitative determination of dislocation depth distribution profiles. The final outcome of the deconvolution procedure are cross-sections values calculated for two types of defects observed (RDA and dislocations). (c) 2014 Elsevier B.V. All rights reserved. C1 [Jozwik, P.; Sathish, N.; Jagielski, J.; Turos, A.] Inst Elect Mat Technol, PL-01919 Warsaw, Poland. [Jozwik, P.; Nowicki, L.; Jagielski, J.; Turos, A.] Natl Ctr Nucl Res, PL-05400 Otwock, Poland. [Kovarik, L.; Arey, B.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jozwik, P (reprint author), Inst Elect Mat Technol, Wolczynska 133, PL-01919 Warsaw, Poland. EM przemyslaw.jozwik@itme.edu.pl RI Nowicki, Lech/E-9509-2016; Kovarik, Libor/L-7139-2016 FU French-Polish cooperation program POLONIUM [UMO-2012/04/M/ST5/00806]; French-Polish cooperation program [N 09-133] FX Financial supports from French-Polish cooperation program POLONIUM (project No. UMO-2012/04/M/ST5/00806) and French-Polish cooperation program N 09-133 are greatly appreciated. NR 15 TC 1 Z9 1 U1 4 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 234 EP 237 DI 10.1016/j.nimb.2013.11.022 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300054 ER PT J AU Usov, IO Rubanov, S Won, J Suvorova, AA AF Usov, I. O. Rubanov, S. Won, J. Suvorova, A. A. TI Transformation of YSZ under high fluence argon ion implantation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Yittria stabilized zirconia; Ion irradiation damage; Gas-filled bubbles ID YTTRIA-STABILIZED ZIRCONIA; RADIATION-DAMAGE; CUBIC ZIRCONIA; SINGLE-CRYSTALS; IRRADIATION; BEAM; PLUTONIUM; CERAMICS; OXIDES; MGO AB In this work, we present the effect of extremely high fluence ion implantation on microstructure of single crystalline YSZ samples with three major low index orientations: (1 0 0), (1 I 0) and (1 1 1). The samples were implanted at room temperature with 150 key Ar+ ions to a fluence of 1 x 10(17) Ar/cm-(2) corresponding to the peak damage level of similar to 120 dpa and peak Ar atom concentration of similar to 12 at.%. Rutherford backscattering/channeling spectrometry (RBS/C), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and associated analytical tools were used to determine the orientation dependent damage, surface morphology, and microstructure modifications of the implanted layers. Ar+ ion implantation resulted in formation of severely damaged layers, which however remained crystalline. The damage peak maximum, determined by RBS/C, indicated that the fourth damage accumulation stage, previously predicted for Ar-implanted YSZ, was achieved. The (1 1 0) oriented YSZ demonstrated slightly better radiation tolerance, as observed by RBS/C, compared to the other low index orientations. Microstructural studies revealed large cavities aligned parallel to the specimen surface, which emerged in a form of circular blisters on the surface. The origin of the cavities was related to the segregation of Ar atoms into pressurized gas filled bubbles. The crystallographic anisotropy of microstructural parameters (thickness of the damages layer, surface blister density and diameter, cavity dimensions) remains uncertain. (C) 2014 Elsevier B.V. All rights reserved. C1 [Usov, I. O.] Los Alamos Natl Lab, Los Alamos, NM USA. [Rubanov, S.] Univ Melbourne, Bio21 Inst, Melbourne, Vic, Australia. [Won, J.] Korea Basic Sci Inst, Div Elect Microscop Res, Taejon, South Korea. [Suvorova, A. A.] Univ Western Australia, Ctr Microscopy Characterisat & Anal, Crawley, WA, Australia. RP Suvorova, AA (reprint author), Univ Western Australia, Ctr Microscopy Characterisat & Anal, 35 Stirling Highway, Crawley, WA 6009, Australia. EM alexandra.suvorova@uwa.edu.au RI Suvorova, Alexandra/B-9335-2011; Rubanov, Sergey/O-9798-2016; OI Suvorova, Alexandra/0000-0001-8970-6058; won, Jonghan/0000-0002-7612-1322 FU University, State and Commonwealth Governments FX The authors acknowledge the facilities, and the scientific and technical assistance of the Australian Microscopy and Microanalysis Research Facility at the Centre for Microscopy, Characterisation and Analysis, The University of Western Australia, a facility funded by the University, State and Commonwealth Governments. Ion implantation and RBS analyses were performed in the Ion Beam Materials Laboratory (IBML) at LANL. NR 24 TC 2 Z9 2 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 283 EP 288 DI 10.1016/j.nimb.2013.10.081 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300065 ER PT J AU Leino, AA Daraszewicz, SL Pakarinen, LH Djurabekova, F Nordlund, K Afra, B Kluth, P AF Leino, Aleksi A. Daraszewicz, Szymon L. Pakarinen, Li H. Djurabekova, Flyura Nordlund, Kai Afra, Boshra Kluth, Patrick TI Structural analysis of simulated swift heavy ion tracks in quartz SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Molecular dynamics; Ion irradiation; Ion tracks; Swift heavy ions; Quartz ID MOLECULAR-DYNAMICS; SPIKE MECHANISM; CROSS-SECTION; DAMAGE; INSULATORS; SOLIDS AB Swift heavy ions (SHI), of specific kinetic energies in the excess of 1 MeV/u, can create cylindrical regions of structural transformation in SiO2 targets, also known as SHI tracks. Recent measurements of the track cross-sections in a-quartz show significant and consistent discrepancies across different experimental techniques used. In particular, the track radii obtained from channelling experiments based on the Rutherford Backscattering Spectrometry (RBS-c) method increase monotonically with the electronic stopping power, whereas the track radii obtained from the Small Angle X-ray scattering (SAXS) saturate past a certain stopping power threshold. We perform a systematic study of the structure of the alpha-quartz tracks obtained from the molecular dynamics (MD) simulations incorporating a time-dependent energy deposition based on the inelastic thermal spike model, which allows us to discuss the possible origins of these experimental discrepancies. (C) 2014 Elsevier B.V. All rights reserved. C1 [Leino, Aleksi A.; Djurabekova, Flyura; Nordlund, Kai] Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland. [Leino, Aleksi A.; Djurabekova, Flyura; Nordlund, Kai] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Daraszewicz, Szymon L.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Daraszewicz, Szymon L.] UCL, London Ctr Nanotechnol, London WC1E 6BT, England. [Pakarinen, Li H.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Afra, Boshra; Kluth, Patrick] Australian Natl Univ, Res Sch Phys & Engn, Canberra, ACT 0200, Australia. RP Leino, AA (reprint author), Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland. EM aleksi.leino@helsinki.fi RI Nordlund, Kai/L-8275-2014; Kluth, Patrick/A-1497-2008; Pakarinen, Olli/G-8028-2016 OI Djurabekova, Flyura/0000-0002-5828-200X; Nordlund, Kai/0000-0001-6244-1942; Kluth, Patrick/0000-0002-1806-2432; Pakarinen, Olli/0000-0002-5535-3941 FU CSC IT Center for Science Ltd. (Finland); Academy of Finland and National Doctoral Programme in Nanoscience; EPSRC EPSRC under the M3S IDTC and CCFE; U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division FX The authors thank CSC IT Center for Science Ltd. (Finland) for generous grants of computation time. AL is funded by the Academy of Finland and National Doctoral Programme in Nanoscience (NGS). SD is funded by EPSRC under the M3S IDTC and CCFE. OHP is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. NR 29 TC 7 Z9 7 U1 5 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 289 EP 292 DI 10.1016/j.nimb.2013.10.075 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300066 ER PT J AU Tang, M Kossoy, A Jarvinen, G Crum, J Turo, L Riley, B Brinkman, K Fox, K Amoroso, J Marra, J AF Tang, Ming Kossoy, Anna Jarvinen, Gordon Crum, Jarrod Turo, Laura Riley, Brian Brinkman, Kyle Fox, Kevin Amoroso, Jake Marra, James TI Radiation stability test on multiphase glass ceramic and crystalline ceramic waste forms SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Glass ceramic; Crystalline ceramic; Waste form; Radiation damage; TEM ID LEVEL NUCLEAR-WASTE; IMMOBILIZATION; IRRADIATION; APATITE; TEM AB A radiation stability study was performed on glass ceramic and crystalline ceramic waste forms. These materials are candidate host materials for immobilizing alkali/alkaline earth (Cs/Sr-CS) + lanthanide (LN) + transition metal (TM) fission product waste streams from nuclear fuel reprocessing. In this study, glass ceramics were fabricated using a borosilicate glass as a matrix in which to incorporate CS/LN/TM combined waste streams. The major phases in these multiphase materials are powellite, oxyaptite, pollucite, celsian, and durable residual glass phases. Al2O3 and TiO2 were combined with these waste components to produce multiphase crystalline ceramics containing hollandite-type phases, perovskites, pyrochlores and other minor metal titanate phases. For the radiation stability test, selected glass ceramic and crystalline ceramic samples were exposed to different irradiation environments including low fluxes of high-energy (similar to 1-5 MeV) protons and alpha particles generated by an ion accelerator, high fluxes of low-energy (hundreds of key) krypton particles generated by an ion implanter, and in-situ electron irradiations in a transmission electron microscope. These irradiation experiments were performed to simulate self-radiation effects in a waste form. Ion irradiation-induced microstructural modifications were examined using X-ray diffraction and transmission electron microscopy. Our preliminary results reveal different radiation tolerance in different crystalline phases under various radiation damage environments. However, their stability may be rate dependent which may limit the waste loading that can be achieved. (C) 2014 Elsevier B.V. All rights reserved. C1 [Tang, Ming; Kossoy, Anna; Jarvinen, Gordon] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Crum, Jarrod; Turo, Laura; Riley, Brian] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fox, Kevin; Amoroso, Jake; Marra, James] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Tang, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mtang@lanl.gov OI Riley, Brian/0000-0002-7745-6730; Brinkman, Kyle/0000-0002-2219-1253 FU Department of Energy Office of Nuclear Energy (DOE-NE) under Fuel Cycle Research and Development Program FX The authors would like to thank the Department of Energy Office of Nuclear Energy (DOE-NE) for funding this work under the Fuel Cycle Research and Development Program. The authors would also like to thank J. Vienna (Pacific Northwest National Laboratory), T. Todd (Idaho National Laboratory), and J. Bresee (DOE-NE) for project oversight and guidance. NR 22 TC 1 Z9 1 U1 5 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 293 EP 297 DI 10.1016/j.nimb.2013.10.092 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300067 ER PT J AU Wang, SW Tang, M Brinkman, KS Chen, FL AF Wang, Siwei Tang, Ming Brinkman, Kyle S. Chen, Fanglin (Frank) TI Ion-irradiation induced reduction in Sr2Fe1.5Mo0.5O6-delta perovskite SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Irradiation; Perovskite; Decomposition; Reduction; Amorphization ID OXIDE FUEL-CELLS; SRTIO3; BOMBARDMENT; TEMPERATURE AB The incorporation of radioactive elements in fission products (FPs) into complex oxides, where the elements are constrained in the structure and enhanced leaching and radioactive stability can be obtained, is an active research area in the nuclear fuel cycle. Perovskite structured Sr(2)Fe(1.)5Mo(0.5)O(6-delta) (SFM) has the capability of incorporating several FPs (such as Sr and Mo) into the crystalline network simultaneously while maintaining a stabilized structure. The radiation damage effects on the structure changes of this polycrystalline SFM sample is conducted under various ion irradiations including 200 key He ions to a fluence of 5 x 10(20) ions m(-2), 100 keV H to a fluence of 3 x 10(21) ions cm(-2), and 600 keV Kr ions to a fluence of 2.5 x 10(19) ions m(-2) at room temperature. Irradiation-induced structural evolution was examined by using grazing incidence X-ray diffraction and cross-sectional transmission electron microscopy. It was found that the irradiated SFM sample decomposed into a layered Sr4FeMoO8-delta based phase and a metallic Fe based phase under light ion (He and H) irradiations. Nano-crystallized secondary phase was observed with particle sizes around 7 nm. These results suggest that irradiation-induced reducing atmospheres may affect the stability of crystalline structure in complex oxides. Experiment results also reveal an amorphization in the heavy ion Kr irradiated sample, while no amorphization is observed in He/H irradiated SFM. (C) 2014 Elsevier B.V. All rights reserved. C1 [Wang, Siwei; Chen, Fanglin (Frank)] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Wang, Siwei; Tang, Ming] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Brinkman, Kyle S.] Savannah River Natl Lab, Sci & Technol Directorate, Aiken, SC 29808 USA. RP Tang, M (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM mtang@lanl.gov RI Chen, Fanglin/K-1039-2012 OI Chen, Fanglin/0000-0001-9942-8872 FU US Department of Energy, Office of Nuclear Energy's Fuel Cycle Research & Development (FCRD) programs; Nuclear Energy University Programs (NEUP); Seaborg Institute for Transactinium Science, Los Alamos National Laboratory FX The financial supports from the US Department of Energy, Office of Nuclear Energy's Fuel Cycle Research & Development (FCR&D) programs and Nuclear Energy University Programs (NEUP) are gratefully acknowledged. SW would also like to thank the Seaborg Institute Summer Fellowship program sponsored by the Seaborg Institute for Transactinium Science, Los Alamos National Laboratory. NR 30 TC 1 Z9 1 U1 0 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 MAY 1 PY 2014 VL 326 BP 298 EP 302 DI 10.1016/j.nimb.2013.10.093 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300068 ER PT J AU Debelle, A Backman, M Thome, L Nordlund, K Djurabekova, F Weber, WJ Monnet, I Pakarinen, OH Garrido, F Paumier, F AF Debelle, A. Backman, M. Thome, L. Nordlund, K. Djurabekova, F. Weber, W. J. Monnet, I. Pakarinen, O. H. Garrido, F. Paumier, F. TI Swift heavy ion induced recrystallization in cubic silicon carbide: New insights from designed experiments and MD simulations SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Irradiation; SiC; Swift heavy ion; Recrystallization ID DAMAGE ACCUMULATION; COLLISION CASCADES; DEFECT PRODUCTION; SEMICONDUCTORS; FERROMAGNETISM; IMPLANTATION; AMORPHIZATION; IRRADIATION; RECOVERY; METALS AB 3C-SiC single crystals have been initially irradiated in the nuclear energy loss regime with 100 keV Fe ions to fluences ranging from 4 x 10(13) to 4 x 10(14) cm(-2) (i.e. 0.07-0.7 dpa). RBS/C measurements indicate that SiC rapidly becomes amorphous (at similar to 0.4 dpa). Two damaged SiC crystals exhibiting a different defective structure have been subsequently irradiated in the electronic energy loss regime with 870 MeV swift heavy (Pb) ions (SHIs) up to a fluence of 4 x 10(13) cm(-2). Initially fully amorphous SiC layers showed a decrease in size after SHI irradiation with a recrystallization occurring at the amorphous-crystalline interface. On the contrary, partially amorphous crystals for which onset of amorphization just initiated at the damage peak recovered over the entire damage thickness. Variation of amorphous thickness or disorder level has been monitored as a function of Pb ion fluence, which allowed deriving recrystallization kinetics. Data have been fitted with the direct-impact model and recrystallization cross-sections and threshold values for recovery have been determined for both types of initially defective structures. Differences are qualitatively discussed in terms of nature and density of irradiation defects. All experimental trends have been successfully reproduced by molecular dynamics simulations that mimicked thermal spikes induced by SHIs. (C) 2014 Elsevier B.V. All rights reserved. C1 [Debelle, A.; Thome, L.; Garrido, F.] Univ Paris 11, CSNSM, CNRS, IN2P3, F-91405 Orsay, France. [Backman, M.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Backman, M.; Nordlund, K.; Djurabekova, F.; Pakarinen, O. H.] Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland. [Backman, M.; Nordlund, K.; Djurabekova, F.; Pakarinen, O. H.] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Weber, W. J.; Pakarinen, O. H.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Monnet, I.] Univ Caen, CIMAP, CNRS, CEA,ENSICAEN, F-14070 Caen 5, France. [Paumier, F.] Univ Poitiers, CNRS, ENSMA, Inst PPRIME, F-86962 Futuroscope, France. RP Debelle, A (reprint author), Univ Paris 11, CSNSM, CNRS, IN2P3, Bat 108, F-91405 Orsay, France. EM aurelien.debelle@u-psud.fr RI Weber, William/A-4177-2008; Nordlund, Kai/L-8275-2014; Pakarinen, Olli/G-8028-2016 OI Weber, William/0000-0002-9017-7365; Nordlund, Kai/0000-0001-6244-1942; Pakarinen, Olli/0000-0002-5535-3941 FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division; French Network EMIR FX SHI irradiation experiments have been performed at Grand Accelerateur National d'Ions Lourds (GANIL) Caen, France and were supported by the French Network EMIR. Authors would like to acknowledge M. Toulemonde (CIMAP, Caen, France) for fruitful discussions. AD, LT and FG are grateful to the SEMIRAMIS staff (CSNSM) for their assistance during RBS/C experiments. MB, WJW and OHP were supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. The computational work used the supercomputer resources at the National Energy Research Scientific Computing Center located at Lawrence Berkeley National Laboratory. NR 31 TC 7 Z9 7 U1 7 U2 47 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2014 VL 326 BP 326 EP 331 DI 10.1016/j.nimb.2013.10.080 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AG7XE UT WOS:000335631300075 ER PT J AU Wang, J Xin, HLL Wang, DL AF Wang, Jie Xin, Huolin L. Wang, Deli TI Recent Progress on Mesoporous Carbon Materials for Advanced Energy Conversion and Storage SO PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION LA English DT Review DE mesoporous carbon; fuel cells; supercapactiors; lithium batteries; energy storage/conversion ID LITHIUM-ION BATTERIES; OXYGEN REDUCTION REACTION; METAL-FREE ELECTROCATALYSTS; HIERARCHICAL MESOPOROUS/MICROPOROUS CARBON; HIGH-PERFORMANCE SUPERCAPACITORS; PHENOL-FORMALDEHYDE CARBON; NITROGEN-DOPED CARBON; METHANOL FUEL-CELLS; ONE-POT SYNTHESIS; LI-S BATTERIES AB Mesoporous carbon materials have attracted much attention during the past two decades in fields such as energy conversion and storage, gas storage, and medical science. In this progress report, the recent advances of mesoporous-carbon-based nanomaterials are presented for fuel cells, lithium batteries, and supercapacitors. A brief discussion of the recent development of synthetic methodologies of mesoporous-carbon-based materials is first introduced. Detailed descriptions of the electrochemical properties are stated in each of mesoporous-carbon-based materials. Furthermore, comparisons of different mesoporous carbon materials in the same application field are summarized in a table, and some conclusions and disciplines are stated, which may be useful to guide the future studies. Comments on the challenges and perspectives of mesoporous-carbon-based materials are proposed for further development. C1 [Wang, Jie; Wang, Deli] Huazhong Univ Sci & Technol, Sch Chem & Chem Engn, Key Lab Large Format Battery Mat & Syst, Minist Educ, Wuhan 430074, Peoples R China. [Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Wang, DL (reprint author), Huazhong Univ Sci & Technol, Sch Chem & Chem Engn, Key Lab Large Format Battery Mat & Syst, Minist Educ, Wuhan 430074, Peoples R China. EM wangdl81125@hust.edu.cn RI Wang, Deli/K-5029-2012; Wang, Jie/H-3638-2015; Xin, Huolin/E-2747-2010 OI Wang, Jie/0000-0002-7188-3053; Xin, Huolin/0000-0002-6521-868X FU Natural Science Foundation of China [21306060]; Fundamental Research Funds for the Central University [01-18-013020] FX The authors acknowledge the financial support from Natural Science Foundation of China (21306060) and the Fundamental Research Funds for the Central University (01-18-013020). NR 183 TC 33 Z9 34 U1 27 U2 258 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0934-0866 EI 1521-4117 J9 PART PART SYST CHAR JI Part. Part. Syst. Charact. PD MAY PY 2014 VL 31 IS 5 BP 515 EP 539 DI 10.1002/ppsc.201300315 PG 25 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AG6HE UT WOS:000335518900003 ER PT J AU Aartsen, MG Abbasi, R Ackermann, M Adams, J Aguilar, JA Ahlers, M Altmann, D Arguelles, C Arlen, TC Auffenberg, J Bai, X Baker, M Barwick, SW Baum, V Bay, R Beatty, JJ Tjus, JB Becker, KH BenZvi, S Berghaus, P Berley, D Bernardini, E Bernhard, A Besson, DZ Binder, G Bindig, D Bissok, M Blaufuss, E Blumenthal, J Boersma, DJ Bohm, C Bose, D Boser, S Botner, O Brayeur, L Bretz, HP Brown, AM Bruijn, R Casey, J Casier, M Chirkin, D Christov, A Christy, B Clark, K Classen, L Clevermann, F Coenders, S Cohen, S Cowen, DF Silva, AHC Danninger, M Daughhetee, J Davis, JC Day, M de Andre, JPAM De Clercq, C De Ridder, S Desiati, P de Vries, KD de With, M DeYoung, T Diaz-Velez, JC Dunkman, M Eagan, R Eberhardt, B Eichmann, B Eisch, J Euler, S Evenson, PA Fadiran, O Fazely, AR Fedynitch, A Feintzeig, J Feusels, T Filimonov, K Finley, C Fischer-Wasels, T Flis, S Franckowiak, A Frantzen, K Fuchs, T Gaisser, TK Gallagher, J Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Golup, G Gonzalez, JG Goodman, JA Gora, D Grandmont, DT Grant, D Gretskov, P Groh, JC Gross, A Ha, C Ismail, AH Hallen, P Hallgren, A Halzen, F Hanson, K Hebecker, D Heereman, D Heinen, D Helbing, K Hellauer, R Hickford, S Hill, GC Hoffman, KD Hoffmann, R Homeier, A Hoshina, K Huang, F Huelsnitz, W Hulth, PO Hultqvist, K Hussain, S Ishihara, A Jacobi, E Jacobsen, J Jagielski, K Japaridze, GS Jero, K Jlelati, O Kaminsky, B Kappes, A Karg, T Karle, A Kauer, M Kelley, JL Kiryluk, J Klas, J Klein, SR Kohne, JH Kohnen, G Kolanoski, H Kopke, L Kopper, C Kopper, S Koskinen, DJ Kowalski, M Krasberg, M Kriesten, A Krings, K Kroll, G Kunnen, J Kurahashi, N Kuwabara, T Labare, M Landsman, H Larson, MJ Lesiak-Bzdak, M Leuermann, M Leute, J Lunemann, J Macias, O Madsen, J Maggi, G Maruyama, R Mase, K Matis, HS McNally, F Meagher, K Merck, M Meures, T Miarecki, S Middell, E Milke, N Miller, J Mohrmann, L Montaruli, T Morse, R Nahnhauer, R Naumann, U Niederhausen, H Nowicki, SC Nygren, DR Obertacke, A Odrowski, S Olivas, A Omairat, A O'Murchadha, A Palczewski, T Paul, L Pepper, JA de los Heros, CP Pfendner, C Pieloth, D Pinat, E Posselt, J Price, PB Przybylski, GT Quinnan, M Radel, L Rameez, M Rawlins, K Redl, P Reimann, R Resconi, E Rhode, W Ribordy, M Richman, M Riedel, B Robertson, S Rodrigues, JP Rott, C Ruhe, T Ruzybayev, B Ryckbosch, D Saba, SM Sander, HG Santander, M Sarkar, S Schatto, K Scheriau, F Schmidt, T Schmitz, M Schoenen, S Schoneberg, S Schonwald, A Schukraft, A Schulte, L Schulz, O Seckel, D Sestayo, Y Seunarine, S Shanidze, R Sheremata, C Smith, MWE Soldin, D Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stanisha, NA Stasik, A Stezelberger, T Stokstad, RG Stossl, A Strahler, EA Strom, R Strotjohann, NL Sullivan, GW Taavola, H Taboada, I Tamburro, A Tepe, A Ter-Antonyan, S Tesic, G Tilav, S Toale, PA Tobin, MN Toscano, S Tselengidou, M Unger, E Usner, M Vallecorsa, S van Eijndhoven, N Van Overloop, A van Santen, J Vehring, M Voge, M Vraeghe, M Walck, C Waldenmaier, T Wallraff, M Weaver, C Wellons, M Wendt, C Westerhoff, S Whelan, B Whitehorn, N Wiebe, K Wiebusch, CH Williams, DR Wissing, H Wolf, M Wood, TR Woschnagg, K Xu, DL Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P Ziemann, J Zierke, S Zoll, M AF Aartsen, M. G. Abbasi, R. Ackermann, M. Adams, J. Aguilar, J. A. Ahlers, M. Altmann, D. Arguelles, C. Arlen, T. C. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Baum, V. Bay, R. Beatty, J. J. Tjus, J. Becker Becker, K. -H. BenZvi, S. Berghaus, P. Berley, D. Bernardini, E. Bernhard, A. Besson, D. Z. Binder, G. Bindig, D. Bissok, M. Blaufuss, E. Blumenthal, J. Boersma, D. J. Bohm, C. Bose, D. Boeser, S. Botner, O. Brayeur, L. Bretz, H. -P. Brown, A. M. Bruijn, R. Casey, J. Casier, M. Chirkin, D. Christov, A. Christy, B. Clark, K. Classen, L. Clevermann, F. Coenders, S. Cohen, S. Cowen, D. F. Silva, A. H. Cruz Danninger, M. Daughhetee, J. Davis, J. C. Day, M. de Andre, J. P. A. M. De Clercq, C. De Ridder, S. Desiati, P. de Vries, K. D. de With, M. DeYoung, T. Diaz-Velez, J. C. Dunkman, M. Eagan, R. Eberhardt, B. Eichmann, B. Eisch, J. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Fedynitch, A. Feintzeig, J. Feusels, T. Filimonov, K. Finley, C. Fischer-Wasels, T. Flis, S. Franckowiak, A. Frantzen, K. Fuchs, T. Gaisser, T. K. Gallagher, J. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Golup, G. Gonzalez, J. G. Goodman, J. A. Gora, D. Grandmont, D. T. Grant, D. Gretskov, P. Groh, J. C. Gross, A. Ha, C. Ismail, A. Haj Hallen, P. Hallgren, A. Halzen, F. Hanson, K. Hebecker, D. Heereman, D. Heinen, D. Helbing, K. Hellauer, R. Hickford, S. Hill, G. C. Hoffman, K. D. Hoffmann, R. Homeier, A. Hoshina, K. Huang, F. Huelsnitz, W. Hulth, P. O. Hultqvist, K. Hussain, S. Ishihara, A. Jacobi, E. Jacobsen, J. Jagielski, K. Japaridze, G. S. Jero, K. Jlelati, O. Kaminsky, B. Kappes, A. Karg, T. Karle, A. Kauer, M. Kelley, J. L. Kiryluk, J. Klaes, J. Klein, S. R. Koehne, J. -H. Kohnen, G. Kolanoski, H. Koepke, L. Kopper, C. Kopper, S. Koskinen, D. J. Kowalski, M. Krasberg, M. Kriesten, A. Krings, K. Kroll, G. Kunnen, J. Kurahashi, N. Kuwabara, T. Labare, M. Landsman, H. Larson, M. J. Lesiak-Bzdak, M. Leuermann, M. Leute, J. Luenemann, J. Macias, O. Madsen, J. Maggi, G. Maruyama, R. Mase, K. Matis, H. S. McNally, F. Meagher, K. Merck, M. Meures, T. Miarecki, S. Middell, E. Milke, N. Miller, J. Mohrmann, L. Montaruli, T. Morse, R. Nahnhauer, R. Naumann, U. Niederhausen, H. Nowicki, S. C. Nygren, D. R. Obertacke, A. Odrowski, S. Olivas, A. Omairat, A. O'Murchadha, A. Palczewski, T. Paul, L. Pepper, J. A. Perez de los Heros, C. Pfendner, C. Pieloth, D. Pinat, E. Posselt, J. Price, P. B. Przybylski, G. T. Quinnan, M. Raedel, L. Rameez, M. Rawlins, K. Redl, P. Reimann, R. Resconi, E. Rhode, W. Ribordy, M. Richman, M. Riedel, B. Robertson, S. Rodrigues, J. P. Rott, C. Ruhe, T. Ruzybayev, B. Ryckbosch, D. Saba, S. M. Sander, H. -G. Santander, M. Sarkar, S. Schatto, K. Scheriau, F. Schmidt, T. Schmitz, M. Schoenen, S. Schoeneberg, S. Schoenwald, A. Schukraft, A. Schulte, L. Schulz, O. Seckel, D. Sestayo, Y. Seunarine, S. Shanidze, R. Sheremata, C. Smith, M. W. E. Soldin, D. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stanisha, N. A. Stasik, A. Stezelberger, T. Stokstad, R. G. Stossl, A. Strahler, E. A. Strom, R. Strotjohann, N. L. Sullivan, G. W. Taavola, H. Taboada, I. Tamburro, A. Tepe, A. Ter-Antonyan, S. Tesic, G. Tilav, S. Toale, P. A. Tobin, M. N. Toscano, S. Tselengidou, M. Unger, E. Usner, M. Vallecorsa, S. van Eijndhoven, N. Van Overloop, A. van Santen, J. Vehring, M. Voge, M. Vraeghe, M. Walck, C. Waldenmaier, T. Wallraff, M. Weaver, Ch Wellons, M. Wendt, C. Westerhoff, S. Whelan, B. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Williams, D. R. Wissing, H. Wolf, M. Wood, T. R. Woschnagg, K. Xu, D. L. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. Ziemann, J. Zierke, S. Zoll, M. CA IceCube Collaboration TI Search for neutrino-induced particle showers with IceCube-40 SO PHYSICAL REVIEW D LA English DT Article ID SCATTERING; SELECTION; CASCADES; SPECTRUM; AMANDA; SYSTEM; MODEL; ICE AB We report on the search for neutrino-induced particle showers, so-called cascades, in the IceCube-40 detector. The data for this search were collected between April 2008 and May 2009 when the first 40 IceCube strings were deployed and operational. Three complementary searches were performed, each optimized for different energy regimes. The analysis with the lowest energy threshold (2 TeV) targeted atmospheric neutrinos. A total of 67 events were found, consistent with the expectation of 41 atmospheric muons and 30 atmospheric neutrino events. The two other analyses targeted a harder, astrophysical neutrino flux. The analysis with an intermediate threshold of 25 TeV leads to the observation of 14 cascadelike events, again consistent with the prediction of 3.0 atmospheric neutrino and 7.7 atmospheric muon events. We hence set an upper limit of E-2 Phi(lim) <= 7.46 x 10(-8) GeV sr(-1) s(-1) cm(-2) (90% C.L.) on the diffuse flux from astrophysical neutrinos of all neutrino flavors, applicable to the energy range 25 TeV to 5 PeV, assuming an E-nu(-2) spectrum and a neutrino flavor ratio of 1: 1: 1 at the Earth. The third analysis utilized a larger and optimized sample of atmospheric muon background simulation, leading to a higher energy threshold of 100 TeV. Three events were found over a background prediction of 0.04 atmospheric muon events and 0.21 events from the flux of conventional and prompt atmospheric neutrinos. Including systematic errors this corresponds to a 2.7 sigma excess with respect to the background-only hypothesis. Our observation of neutrino event candidates above 100 TeV complements IceCube's recently observed evidence for high-energy astrophysical neutrinos. C1 [Bissok, M.; Blumenthal, J.; Coenders, S.; Euler, S.; Gretskov, P.; Hallen, P.; Heinen, D.; Jagielski, K.; Kriesten, A.; Krings, K.; Leuermann, M.; Paul, L.; Raedel, L.; Reimann, R.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wiebusch, C. H.; Zierke, S.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Aartsen, M. G.; Hill, G. C.; Robertson, S.; Whelan, B.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Ter-Antonyan, S.; Xu, X. W.] Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; Binder, G.; Filimonov, K.; Gerhardt, L.; Ha, C.; Klein, S. 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[Becker, K. -H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Ackermann, M.; Berghaus, P.; Bernardini, E.; Bretz, H. -P.; Silva, A. H. Cruz; Gluesenkamp, T.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stossl, A.; Yanez, J. P.] DESY, D-15735 Zeuthen, Germany. [Bai, X.] South Dakota Sch Mines & Technol, Dept Phys, Rapid City, SD 57701 USA. [Stamatikos, M.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Hickford, S (reprint author), Univ Canterbury, Dept Phys & Astron, Private Bag 4800, Christchurch 1, New Zealand. EM stephanie.v.hickford@gmail.com; eike.middell@desy.de RI Taavola, Henric/B-4497-2011; Tjus, Julia/G-8145-2012; Koskinen, David/G-3236-2014; Auffenberg, Jan/D-3954-2014; Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; OI Taavola, Henric/0000-0002-2604-2810; Perez de los Heros, Carlos/0000-0002-2084-5866; Strotjohann, Nora Linn/0000-0002-4667-6730; Arguelles Delgado, Carlos/0000-0003-4186-4182; Koskinen, David/0000-0002-0514-5917; Auffenberg, Jan/0000-0002-1185-9094; Ter-Antonyan, Samvel/0000-0002-5788-1369; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Wiebusch, Christopher/0000-0002-6418-3008; Rott, Carsten/0000-0002-6958-6033; Schukraft, Anne/0000-0002-9112-5479; Groh, John/0000-0001-9880-3634 FU U.S. National Science Foundation-Office of Polar Programs; U.S. National Science Foundation-Physics Division; University of Wisconsin Alumni Research Foundation; Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin-Madison; Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI) grid computing resources; Natural Sciences and Engineering Research Council of Canada; WestGrid and Compute/Calcul Canada; Swedish Research Council; Swedish Polar Research Secretariat; Swedish National Infrastructure for Computing (SNIC),; Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF); Deutsche Forschungsgemeinschaft (DFG); Helmholtz Alliance for Astroparticle Physics (HAP); Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO); FWO Odysseus programme; Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); Swiss National Science Foundation (SNSF), Switzerland; National Research Foundation of Korea (NRF); Danish National Research Foundation, Denmark (DNRF) FX We acknowledge the support from the following agencies: U.S. National Science Foundation-Office of Polar Programs, U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, the Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin-Madison, the Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; Natural Sciences and Engineering Research Council of Canada, WestGrid and Compute/Calcul Canada; Swedish Research Council, Swedish Polar Research Secretariat, Swedish National Infrastructure for Computing (SNIC), and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Helmholtz Alliance for Astroparticle Physics (HAP), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); the Swiss National Science Foundation (SNSF), Switzerland; National Research Foundation of Korea (NRF); Danish National Research Foundation, Denmark (DNRF) NR 58 TC 17 Z9 17 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 1 PY 2014 VL 89 IS 10 AR 102001 DI 10.1103/PhysRevD.89.102001 PG 20 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG6LZ UT WOS:000335531400002 ER PT J AU de Putter, R Linder, EV Mishra, A AF de Putter, Roland Linder, Eric V. Mishra, Abhilash TI Inflationary freedom and cosmological neutrino constraints SO PHYSICAL REVIEW D LA English DT Article ID PRIMORDIAL POWER SPECTRUM; OSCILLATION SPECTROSCOPIC SURVEY; MICROWAVE-ANISOTROPY-PROBE; COSMIC INVERSION METHOD; SOUTH-POLE TELESCOPE; DIGITAL SKY SURVEY; SDSS-III; BACKGROUND ANISOTROPIES; WMAP OBSERVATIONS; DATA RELEASE AB The most stringent bounds on the absolute neutrino mass scale come from cosmological data. These bounds are made possible because massive relic neutrinos affect the expansion history of the universe and lead to a suppression of matter clustering on scales smaller than the associated free streaming length. However, the resulting effect on cosmological perturbations is relative to the primordial power spectrum of density perturbations from inflation, so freedom in the primordial power spectrum affects neutrino mass constraints. Using measurements of the cosmic microwave background (CMB), the galaxy power spectrum and the Hubble constant, we constrain neutrino mass and number of species for a model-independent primordial power spectrum. Describing the primordial power spectrum by a 20-node spline, we find that the neutrino mass upper limit is a factor 3 weaker than when a power law form is imposed, if only CMB data are used. The primordial power spectrum itself is constrained to better than 10% in the wave vector range k approximate to 0.01 - 0.25 Mpc(-1). Galaxy clustering data and a determination of the Hubble constant play a key role in reining in the effects of inflationary freedom on neutrino constraints. The inclusion of both eliminates the inflationary freedom degradation of the neutrino mass bound, giving for the sum of neutrino masses Sigma m(nu) < 0.18 eV (at 95% confidence level, Planck + BOSS + H-0), approximately independent of the assumed primordial power spectrum model. When allowing for a free effective number of species, N-eff, the joint constraints on Sigma m(nu) and N-eff are loosened by a factor 1.7 when the power law form of the primordial power spectrum is abandoned in favor of the spline parametrization. C1 [de Putter, Roland] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [de Putter, Roland; Mishra, Abhilash] CALTECH, Pasadena, CA 91125 USA. [Linder, Eric V.] Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. [Linder, Eric V.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Linder, Eric V.] Ewha Womans Univ, Inst Early Universe WCU, Seoul 120750, South Korea. RP de Putter, R (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. FU NASA ATP [11-ATP090]; DOE Grant [DE-SC-0007867]; Director, Office of Science, Office of High Energy Physics; U.S. Department of Energy [DE-AC02-05CH11231]; Korea World Class University [R32-2009-000-10130-0] FX We thank Olga Mena for her assistance with the galaxy power spectrum likelihood code and Jan Hamann for useful discussion regarding Appendix B. Part of the research described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. This work is supported by NASA ATP Grant No. 11-ATP090, DOE Grant No. DE-SC-0007867, and the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by Korea World Class University Grant No. R32-2009-000-10130-0. R. d. P. thanks the Institute for the Early Universe at Ewha University, Seoul, where part of this work was performed, for its hospitality. NR 68 TC 14 Z9 14 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 1 PY 2014 VL 89 IS 10 AR 103502 DI 10.1103/PhysRevD.89.103502 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG6LZ UT WOS:000335531400005 ER PT J AU Watanabe, H Murayama, H AF Watanabe, Haruki Murayama, Hitoshi TI Nambu-Goldstone bosons with fractional-power dispersion relations SO PHYSICAL REVIEW D LA English DT Article AB We pin down the origin of a peculiar dispersion relation of domain wall fluctuation, the so-called ripplon, in a superfluid-superfluid interface. A ripplon has a dispersion relation omega proportional to k(3/2) due to the nonlocality of the effective Lagrangian, which is mediated by gapless superfluid phonons in the bulk. We point out the analogy to the longitudinal phonon in the two-dimensional Wigner crystal. C1 [Watanabe, Haruki; Murayama, Hitoshi] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Murayama, Hitoshi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Murayama, Hitoshi] Univ Tokyo, Todai Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. RP Watanabe, H (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM hwatanabe@berkeley.edu; hitoshi@berkeley.edu FU U.S. DOE [DE-AC03-76SF00098]; NSF [PHY-1002399, PHY-1316783]; JSPS [23540289]; WPI, MEXT, Japan FX We thank Tomas Brauner for stimulating discussion and for critical reading of the draft, and Yoshimasa Hidaka, Hiromitsu Takeuchi, Muneto Nitta, and Michikazu Kobayashi for a useful discussion of the ripplon. H. W. appreciates the financial support of the Honjo International Scholarship Foundation. The work of H. M. was supported by the U.S. DOE under Contract No. DE-AC03-76SF00098, by the NSF under Grants No. PHY-1002399 and No. PHY-1316783, by JSPS Grant No. (C) 23540289, and by WPI, MEXT, Japan. NR 22 TC 13 Z9 13 U1 1 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. 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CA ATLAS Collaboration TI Search for Higgs boson decays to a photon and a Z boson in pp collisions at root s=7 and 8 TeV with the ATLAS detector SO PHYSICS LETTERS B LA English DT Article ID HADRON COLLIDERS; QCD CORRECTIONS; STANDARD MODEL; NNLO QCD; LHC AB A search is reported for a neutral Higgs boson in the decay channel H -> Z gamma, Z -> l(+)l(-) (l = e, mu), using 4.5 fb(-1) of pp collisions at root s = 7 TeV and 20.3 fb(-1) of pp collisions at root s = 8 TeV, recorded by the ATLAS detector at the CERN Large Hadron Collider. The observed distribution of the invariant mass of the three final-state particles, m(ll gamma), is consistent with the Standard Model hypothesis in the investigated mass range of 120-150 GeV. For a Higgs boson with a mass of 125.5 GeV, the observed upper limit at the 95% confidence level is 11 times the Standard Model expectation. 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Y.; Xu, L.; Zhao, Z.; Zhu, Y.] Univ Sci & Technol China, Dept Modern Phys, Hefei, Peoples R China. [Chen, S.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Chen, L.; Feng, C.; Ge, P.; Ma, L. L.; Zhang, X.; Zhu, C. G.] Shandong Univ, Sch Phys, Jinan, Shandong, Peoples R China. [Yang, H.] Shanghai Jiao Tong Univ, Dept Phys, Shanghai 200030, Peoples R China. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, Ph.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] Clermont Univ, Phys Corpusculaire Lab, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, Ph.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] Univ Blaise Pascal, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, Ph.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] CNRS, IN2P3, Clermont Ferrand, France. [Altheimer, A.; Andeen, T.; Angerami, A.; Bain, T.; Brooijmans, G.; Chen, Y.; Cole, B.; Guo, J.; Hu, D.; Hughes, E. W.; Mohapatra, S.; Nikiforou, N.; Parsons, J. A.; Reale, V. Perez; Scherzer, M. I.; Thompson, E. N.; Tian, F.; Tuts, P. M.; Urbaniec, D.; Wulf, E.; Zhou, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Alonso, A.; Dam, M.; Galster, G.; Gregersen, K.; Hansen, J. R.; Hansen, J. B.; Hansen, J. D.; Hansen, P. H.; Heisterkamp, S.; Jakobsen, S.; Joergensen, M. D.; Klinkby, E. B.; Loevschall-Jensen, A. E.; Mehlhase, S.; Monk, J.; Petersen, T. C.; Pingel, A.; Simonyan, M.; Thomsen, L. A.; Wiglesworth, C.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] INFN, Lab Nazl Frascati, Arcavacata Di Rende, Italy. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartmento Fis, I-87036 Arcavacata Di Rende, Italy. [Adamczyk, L.; Bold, T.; Dabrowski, W.; Dwuznik, M.; Dyndal, M.; Grabowska-Bold, I.; Kisielewska, D.; Koperny, S.; Kowalski, Z.; Mindur, B.; Przybycien, M.; Zemla, A.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Dabrowski, W.] Jagiellonian Univ, Marian Smoluchowski Inst Phys, Krakow, Poland. [Banas, E.; de Renstrom, P. A. Bruckman; Derendarz, D.; 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, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Cao, T.; Fiorini, L.; Hoffman, J.; Kamo, S.; Kehoe, R.; Randle-Conde, A. S.; Sekula, S. J.; Stroynowski, R.; Wang, H.; Ye, J.] So Methodist Univ, Dept Phys, Dallas, TX 75275 USA. [Izen, J. M.; Leyton, M.; Lou, X.; Namasivayam, H.; Reeves, K.] Univ Texas Dallas, Dept Phys, Richardson, TX 75083 USA. [Argyropoulos, S.; Bloch, I.; Borroni, S.; Camarda, S.; Dassoulas, J. A.; Deterre, C.; Dietrich, J.; Ferrara, V.; Filipuzzi, M.; Friedrich, C.; Glazov, A.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Haleem, M.; Hamnett, P. G.; Hengler, C.; Hiller, K. H.; Howarth, J.; Jennens, D.; Belenguer, M. Jimenez; Katzy, J.; Keller, J. S.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Peschke, R.; Petit, E.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Schaefer, R.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Wang, J.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.] DESY, Hamburg, Germany. [Argyropoulos, S.; Bloch, I.; Borroni, S.; Camarda, S.; Dassoulas, J. A.; Deterre, C.; Dietrich, J.; Ferrara, V.; Filipuzzi, M.; Friedrich, C.; Glazov, A.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Haleem, M.; Hamnett, P. G.; Hengler, C.; Hiller, K. H.; Howarth, J.; Jennens, D.; Belenguer, M. Jimenez; Katzy, J.; Keller, J. S.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Peschke, R.; Petit, E.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Schaefer, R.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Wang, J.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.] DESY, Zeuthen, Germany. [Burmeister, I.; Esch, H.; Goessling, C.; Jung, C. A.; Klingenberg, R.; Wittig, T.] Tech Univ Dortmund, Inst Expt Phys 4, Dortmund, Germany. [Anger, P.; Friedrich, F.; Grohs, J. P.; Gumpert, C.; Kobel, M.; Leonhardt, K.; Mader, W. F.; Morgenstern, M.; Rudolph, C.; Schnoor, U.; Siegert, F.; Socher, F.; Staerz, S.; Straessner, A.; Vest, A.; Wahrmund, S.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Cerio, B.; Kajomovitz, E.; Kotwal, A.; Kruse, C.; Li, S.; Liu, M.; Oh, S. H.; Pollard, C. S.; Wang, C.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Bristow, T. M.; Clark, P. J.; Debenedetti, C.; Edwards, N. C.; Walls, F. M. Garay; Glaysher, P. C. F.; Harrington, R. D.; Martin, V. J.; Mills, C.; O'Brien, B. J.; Pino, S. A. Olivares; Proissl, M.; Schaelicke, A.; Selbach, K. E.; Smart, B. H.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, SUPA, Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Annovi, A.; Antonelli, M.; Bilokon, H.; Chiarella, V.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Amoroso, S.; Barber, T.; Betancourt, C.; Boehler, M.; Bruneliere, R.; Buehrer, F.; Consorti, V.; Di Simone, A.; Fehling-Kaschek, M.; Flechl, M.; Giuliani, C.; Herten, G.; Jakobs, K.; Javurek, T.; Kiss, F.; Koeneke, K.; Kopp, A. K.; Kuehn, S.; Lai, S.; Landgraf, U.; Lohwasser, K.; Madar, R.; Mahboubi, K.; Mohr, W.; Pagacova, M.; Parzefall, U.; Rave, T. C.; Ruehr, F.; Rurikova, Z.; Ruthmann, N.; Schillo, C.; Schmidt, E.; Schumacher, M.; Sommer, P.; Stoerig, K.; Sundermann, J. E.; Temming, K. K.; Thoma, S.; Tsiskaridze, V.; Ungaro, F. C.; Venturi, M.; von Radziewski, H.; Anh, T. Vu; Warsinsky, M.; Weiser, C.; Werner, M.; Winkelmann, S.; Zimmermann, S.] Univ Freiburg, Fak Math & Phys, D-79106 Freiburg, Germany. [Alexandre, G.; Barone, G.; Bell, P. J.; Noccioli, E. Benhar; De Mendizabal, J. Bilbao; Bucci, F.; Toro, R. Camacho; Clark, A.; Della Volpe, D.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Gonzalez-Sevilla, S.; Goulette, M. P.; Gramling, J.; Guescini, F.; Iacobucci, G.; Katre, A.; La Rosa, A.; Latour, B. Martin dit; Mermod, P.; Miucci, A.; errera, C. Mora; Muenstermann, D.; Nektarijevic, S.; Nikolics, K.; Pasztor, G.; Picazio, A.; Pohl, M.; Rosbach, K.; Vallecorsa, S.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Darbo, G.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Guido, E.; Morettini, P.; Osculati, B.; Parodi, F.; Passaggio, S.; Rossi, L. P.; Schiavi, C.] Univ Genoa, INFN, Sez Genova, Genoa, Italy. [Barberis, D.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Guido, E.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Durglishvili, A.; Khubua, J.; Mosidze, M.] Tbilisi State Univ, Inst High Energy Phys, Tbilisi, Rep of Georgia. [Dueren, M.; Kreutzfeldt, K.; Stenzel, H.] Univ Giessen, Inst Phys 2, Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Buckley, A. G.; Bussey, P.; Buttar, C. M.; Buzatu, A.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Ferrag, S.; Ferrando, J.; de Lima, D. E. Ferreira; Gemmell, A.; Gul, U.; Ortiz, N. G. Gutierrez; Kar, D.; Knue, A.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Qin, G.; Quilty, D.; Ravenscroft, T.; Robson, A.; Saxon, D. H.; Smith, K. M.; Denis, R. D. St.; Steele, G.; Stewart, G. A.; Thompson, A. S.; Wright, M.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow, Lanark, Scotland. [Bierwagen, K.; Bindi, M.; Blumenschein, U.; George, M.; Graber, L.; Grosse-Knetter, J.; Hamer, M.; Hensel, C.; Kawamura, G.; Keil, M.; Kroeninger, K.; Lemmer, B.; Magradze, E.; Mchedlidze, G.; Morel, J.; Llacer, M. Moreno; Nackenhorst, O.; Nadal, J.; Quadt, A.; Schorlemmer, A. L. S.; Serkin, L.; Shabalina, E.; Stolte, P.; Schroeder, T. Vazquez; Weingarten, J.; Zinonos, Z.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Univ Grenoble 1, Lab Phys Subatom & Cosmol, Grenoble, France. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] CNRS, IN2P3, Grenoble, France. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Inst Natl Polytech Grenoble, F-38031 Grenoble, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [da Costa, J. Barreiro Guimaraes; Belloni, A.; Butler, B.; Catastini, P.; Conti, G.; Franklin, M.; Huth, J.; Ippolito, V.; Mateos, D. Lopez; Mercurio, K. M.; Morii, M.; Skottowe, H. P.; Spearman, W. R.; Yen, A. L.; della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Andrei, V.; Brandt, O.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Hanke, P.; Hofmanna, J. I.; Jongmanns, J.; Khomich, A.; Kluge, E. -E.; Laier, H.; Lang, V. S.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, D-69115 Heidelberg, Germany. [Anders, C. F.; Giulini, M.; Narayan, R.; Schaetzel, S.; Schmitt, S.; Schoening, A.] Heidelberg Univ, Inst Phys, D-69115 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. [Brunet, S.; Evans, H.; Gagnon, P.; Lammers, S.; Martinez, N. Lorenzo; Luehring, F.; Ogren, H.; Penwell, J.; Poveda, J.; Weinert, B.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Franz, S.; Jussel, P.; Kneringer, E.; Lukas, W.; Nagai, K.; Ritsch, E.; Usanova, A.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Cinca, D.; Gandrajula, R. P.; Limper, M.; Mallik, U.; Mandrysch, R.; Morange, N.; Pylypchenko, Y.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; De Lorenzi, F.; Dudziak, F.; Krumnack, N.; Prell, S.; Ruiz-Martinez, A.; Shrestha, S.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [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.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Huseynov, N.; Karpov, S. N.; Kazarinov, M. Y.; Khramov, E.; Kotov, M.; Kruchonak, U.; Krumshteyn, V.; Kukhtin, V.; Ladygin, E.; Minashvili, I. A.; Mineev, M.; Olchevski, A. G.; Peshekhonov, V. D.; Plotnikova, E.; Potrap, I. N.; Pozdnyakov, V.; Rusakovich, N. A.; Sadykov, R.; Sapronov, A.; Shiyakova, M.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.; Zimine, N. I.] Joint Inst Nucl Res, Dubna, Russia. [Amako, K.; Aoki, M.; Arai, Y.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Kono, T.; Makida, Y.; Mitsui, S.; Nagano, K.; Nakamura, K.; Nozaki, M.; Odaka, S.; Sasaki, O.; Suzuki, Y.; Takubo, Y.; Tanaka, S.; Terada, S.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] Natl Lab High Energy Phys, KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 305, Japan. [Inamaru, Y.; Kishimoto, T.; Kitamura, T.; Kurashige, H.; Kurumida, R.; Matsushita, T.; Ochi, A.; Shimizu, S.; Takeda, H.; Tani, K.; Watanabe, I.; Yamazaki, Y.; Yuan, L.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Ishino, M.; Sumida, T.; Tashiro, T.] Kyoto Univ, Fac Sci, Kyoto, Japan. [Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Kawagoe, K.; Oda, S.; Otono, H.; Tojo, J.] Kyushu Univ, Dept Phys, Fukuoka 812, Japan. [Verzini, M. J. Alconada; Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Univ Nacl La Plata, Inst Fis La Plata, La Plata, Buenos Aires, Argentina. [Verzini, M. J. Alconada; Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Allison, L. J.; Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Catmore, J. R.; Chilingarov, A.; Dearnaley, W. J.; Fox, H.; Grimm, K.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Maddocks, H. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Chiodini, G.; Gorini, E.; Grancagnolo, F.; Orlando, N.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] Univ Salento, INFN, Sez Lecce, Lecce, Italy. [Gorini, E.; Orlando, N.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce, Italy. [Allport, P. P.; Bundock, A. C.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Gwilliam, C. B.; Jackson, J. N.; Jackson, M.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kretzschmar, J.; Laycock, P.; Lehan, A.; Mahmoud, S.; Maxfield, S. J.; Mehta, A.; Migas, S.; Price, J.; Readioff, N. P.; Schnellbach, Y. J.; Sellers, G.; Vossebeld, J. H.; Waller, P.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Alpigiani, C.; Bona, M.; Carter, A. A.; Cerrito, L.; Ellis, K.; Fletcher, G.; Goddard, J. R.; Landon, M. P. J.; Morris, J. D.; Piccaro, E.; Rizvi, E.; Salamanna, G.; Snidero, G.] Queen Mary Univ London, Sch Phys & Astron, London, England. [Berry, T.; Boisvert, V.; Brooks, T.; Cantrill, R.; Connelly, I. A.; Cooper-Smith, N. J.; Cowan, G.; Duguid, L.; George, S.; Gibson, S. M.; Vazquez, J. G. Panduro; Pastore, Fr.; Rose, M.; Spano, F.; Teixeira-Dias, P.; Thomas-Wilsker, J.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Casadei, D.; Chislett, R. T.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Davison, P.; Dobson, E.; Gutschow, C.; Hesketh, G. G.; Jansen, E.; Konstantinidis, N.; Korn, A.; Lambourne, L.; Leney, K. J. C.; Martyniuk, A. C.; Mcfayden, J. A.; Nurse, E.; Ochoa, M. I.; Pilkington, A. D.; Prabhu, R.; Sherwood, P.; Simmons, B.; Taylor, C.; Wardrope, D. R.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Bernius, C.; Greenwood, Z. D.; Jana, K.; Sawyer, L.; Sircar, A.; Subramaniam, R.; Tamsett, M. C.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] CNRS, IN2P3, Paris, France. [Akesson, T. P. A.; Bocchetta, S. S.; Bryngemark, L.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Jarlskog, G.; Lytken, E.; Meirose, B.; Mjoernmark, J. U.; Smirnova, O.; Viazlo, O.] Lund Univ, Inst Fys, Lund, Sweden. [Arnal, V.; Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Merino, J. Llorente; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C 15, Madrid, Spain. [Arnaez, O.; Caputo, R.; Ellinghaus, F.; Endner, O. C.; Ertel, E.; Fiedler, F.; Torregrosa, E. Fullana; Goeringer, C.; Hohlfeld, M.; Hsu, P. J.; Karnevskiy, M.; Kleinknecht, K.; Koenig, S.; Kopke, L.; Lungwitz, M.; Masetti, L.; Mattmann, J.; Meyer, C.; Moreno, D.; Moritz, S.; Mueller, T.; Poettgen, R.; Sander, H. G.; Schmitt, C.; Schott, M.; Schroeder, C.; Schuh, N.; Simioni, E.; Tapprogge, S.; Wollstadt, S. J.; Zimmermann, C.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55122 Mainz, Germany. [Almond, J.; Brown, G.; Cox, B. E.; Da Via, C.; Forti, A.; Loebinger, F. K.; Masik, J.; Oh, A.; Price, D.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aad, G.; Alio, L.; Barbero, M.; Bertella, C.; Clemens, J. C.; Coadou, Y.; Djama, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Madaffari, D.; Mochizuki, K.; Monnier, E.; Muanza, S. G.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Aad, G.; Alio, L.; Barbero, M.; Bertella, C.; Clemens, J. C.; Coadou, Y.; Djama, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Madaffari, D.; Mochizuki, K.; Monnier, E.; Muanza, S. G.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] CNRS, IN2P3, Marseille, France. [Bellomo, M.; Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Pais, P.; Pueschel, E.; Varol, T.; Ventura, D.; Willocq, S.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Belanger-Champagne, C.; Chapleau, B.; Cheatham, S.; Corriveau, F.; Mantifel, R.; Robertson, S. H.; Schram, M.; Stockton, M. C.; Stoebe, M.; Vachon, B.; Wang, K.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Brennan, A. J.; Diglio, S.; Hamano, K.; Kubota, T.; Limosani, A.; Hanninger, G. Nunes; Nuti, F.; Petersen, B. A.; Rados, P.; Shao, Q. T.; Tan, K. G.; Taylor, G. N.; Thong, W. M.; Volpi, M.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Amidei, D.; Armbruster, A. J.; Chelstowska, M. A.; Cheng, H. C.; Dai, T.; Diehl, E. B.; Dubbert, J.; Feng, H.; Ferretti, C.; Goldfarb, S.; Harper, D.; Levin, D.; Li, X.; Liu, L.; Long, J. D.; Mc Kee, S. P.; McCarn, A.; Neal, H. A.; Panikashvili, N.; Qian, J.; Searcy, J.; Thun, R. P.; Wilson, A.; Wu, Y.; Yu, J. M.; Zhang, D.; Zhou, B.; Zhu, J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Abolins, M.; Gonzalez, B. Alvarez; Arabidze, G.; Brock, R.; Bromberg, C.; Caughron, S.; Chegwidden, A.; Fisher, W. C.; Halladjian, G.; Hauser, R.; Huston, J.; Koll, J.; Linnemann, J. T.; Martin, B.; Pope, B. G.; Schoenrock, B. D.; Schwienhorst, R.; Ta, D.; Tollefson, K.; True, P.; Willis, C.; Zhang, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Alimonti, G.; Andreazza, A.; Besana, M. I.; Carminati, L.; Cavalli, D.; Citterio, M.; Consonni, S. M.; Costa, G.; Fanti, M.; Giugni, D.; Lari, T.; Mandelli, L.; Manzoni, S.; Meloni, F.; Meroni, C.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Simoniello, R.; Tartarelli, G. F.; Troncon, C.; Turra, R.] Univ Milan, Ist Nazl Fis Nucl, Sez Milano, Milan, Italy. [Andreazza, A.; Carminati, L.; Consonni, S. M.; Fanti, M.; Manzoni, S.; Meloni, F.; Perini, L.; Pizio, C.; Ragusa, F.; Simoniello, R.; Turra, R.] Univ Milan, Dipartimento Fis, Milan, Italy. [Bogouch, A.; Harkusha, S.; Kulchitsky, Y.; Kurochkin, Y. A.; Satsounkevitch, I.; Tsiareshka, P. V.] Natl Acad Sci, BI Stepanov Phys Inst, Minsk, Byelarus. [Yanush, S.] Natl Sci & Educ Ctr Particle & High Energy Phys, Minsk, Byelarus. [Taylor, F. E.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Arguin, J. -F.; Azuelos, G.; Dallaire, F.; Davies, M.; Gauthier, L.; Leroy, C.; Martin, J. P.; Rezvani, R.; Soueid, P.] Univ Montreal, Grp Particle Phys, Montreal, PQ, Canada. [Akimov, A. V.; Baranov, S. P.; Gavrilenko, I. L.; Komar, A. A.; Mashinistov, R.; Mouraviev, S. V.; Nechaeva, P. Yu.; Shmeleva, A.; Snesarev, A. A.; Sulin, V. V.; Tikhomirov, V. O.] Acad Sci, PN Lebedev Phys Inst, Moscow, Russia. [Artamonov, A.; Gorbounov, P. A.; Khovanskiy, V.; Shatalov, P. B.; Tsukerman, I. I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Antonov, A.; Belotskiy, K.; Bulekov, O.; Dolgoshein, B. A.; Kantserov, V. A.; Khodinov, A.; Krasnopevtsev, D.; Romaniouk, A.; Shulga, E.; Smirnov, S. Yu.; Smirnov, Y.; Soldatov, E. Yu.; Timoshenko, S.] Moscow Engn & Phys Inst MEPhI, Moscow, Russia. [Boldyrev, A. S.; Gladilin, L. K.; Grishkevich, Y. V.; Kramarenko, A.; Rud, V. I.; Sivoklokov, S. Yu.; Smirnova, L. N.; Turchikhin, S.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Adomeit, S.; Becker, S.; Biebel, O.; Bortfeldt, J.; Calfayan, P.; Chow, B. K. B.; de Graat, J.; Duckeck, G.; Ebke, J.; Elmsheuser, J.; Heller, C.; Hertenberger, R.; Legger, F.; Lorenz, J.; Mann, A.; Meineck, C.; Mitrevski, J.; Nunnemann, T.; Rauscher, F.; Ruschke, A.; Sanders, M. P.; Schaile, D.; Schieck, J.; Schmitt, C.; Vladoiu, D.; Walker, R.; Will, J. Z.; Wittkowski, J.; Zibell, A.] Univ Munich, Fak Phys, D-80539 Munich, Germany. [Barillari, T.; Bethke, S.; Bronner, J.; Compostella, G.; Cortiana, G.; Flowerdew, M. J.; Goblirsch-Kolb, M.; Ince, T.; Kiryunin, A. E.; Kluth, S.; Kortner, O.; Kortner, S.; Kotov, S.; Kroha, H.; Macchiolo, A.; Manfredini, A.; Menke, S.; Moser, H. G.; Nagel, M.; Nisius, R.; Nowak, S.; Oberlack, H.; Pahl, C.; Pospelov, G. E.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Schwegler, Ph.; Sforza, F.; Stern, S.; Stonjek, S.; Terzo, S.; von der Schmitt, H.; Weigell, P.; Wildauer, A.; Zanzi, D.] Max Planck Inst Phys & Astrophys, Werner Heisenberg Inst, D-80805 Munich, Germany. [Shimojima, M.] Nagasaki Inst Appl Sci, Nagasaki, Japan. [Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648601, Japan. [Aloisio, A.; Canale, V.; Carlino, G.; Chiefari, G.; Conventi, F.; de Asmundis, R.; Della Pietra, M.; Di Donato, C.; Doria, A.; Giordano, R.; Iengoa, P.; Izzo, V.; Merola, L.; Patricelli, S.; Rossi, E.; Sanchez, A.; Sekhniaidze, G.; Zurzolo, G.] Univ Naples Federico II, Ist Nazl Fis Nucl, Sez Napoli, Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Chiefari, G.; Di Donato, C.; Giordano, R.; Merola, L.; Patricelli, S.; Rossi, E.; Sanchez, A.; Zurzolo, G.] Univ Naples Federico II, Dipartimento Fis, Naples, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Seidel, S. C.; Toms, K.; Wang, R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Besjes, G. J.; Caron, S.; Dao, V.; De Groot, N.; Filthaut, F.; Galea, C.; Klok, P. F.; Konig, A. C.; Salvucci, A.] Radboud Univ Nijmegen, Nikhef, Inst Math Astrophys & Particle Phys, NL-6525 ED Nijmegen, Netherlands. [Aben, R.; Beemster, L. J.; Bentvelsen, S.; Berge, D.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Butti, P.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deigaard, I.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, F.; Mahlstedt, J.; Mechnich, J.; Oussoren, K. P.; Pani, P.; Salek, D.; Valencic, N.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van Der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Burghgrave, B.; Calkins, R.; Chakraborty, D.; Cole, S.; Suhr, C.; Yurkewicz, A.; Zutshi, V.] No Illinois Univ, Dept Phys, De Kalb, IL USA. [Anisenkov, A. V.; Beloborodova, O. L.; Bobrovnikov, V. S.; Bogdanchikov, A. G.; Kazanin, V. F.; Korol, A.; Malyshev, V. M.; Maslennikov, A. L.; Maximov, D. A.; Peleganchuk, S. V.; Skovpen, K. Yu.; Soukharev, A. M.; Talyshev, A. A.; Tikhonov, Yu. A.] SB RAS, Budker Inst Nucl Phys, Novosibirsk, Russia. [Cranmer, K.; Haas, A.; Heinrich, L.; van Huysduynen, L. Hooft; Kaplan, B.; Karthik, K.; Konoplich, R.; Kreiss, S.; Lewis, G. H.; Mincer, A. I.; Nemethy, P.; Neves, R. M.; Prokofiev, K.] NYU, Dept Phys, New York, NY 10003 USA. [Fischer, J.; Gan, K. K.; Ishmukhametov, R.; Kagan, H.; Kass, R. D.; Merritt, H.; Moss, J.; Nagarkar, A.; Pignotti, D. T.; Tannenwald, B. B.; Yang, Y.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama 700, Japan. [Abbott, B.; Gutierrez, P.; Hasib, A.; Meera-Lebbai, R.; Norberg, S.; Saleem, M.; Severini, H.; Skubic, P.; Snow, J.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Abi, B.; Bousson, N.; Khanov, A.; Rizatdinova, F.; Sidorov, D.; Yu, J.] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Chytka, L.; Hamal, P.; Hrabovsky, M.; Nozka, L.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Brau, J. E.; Brost, E.; Majewski, S.; Potter, C. T.; Ptacek, E.; Radloff, P.; Reinsch, A.; Shamim, M.; Sinev, N. B.; Strom, D. M.; Torrence, E.; Winklmeier, F.] Univ Oregon, Ctr High Energy Phys, Eugene, OR 97403 USA. [AbdelKhalek, S.; Auge, E.; Bassalat, A.; Becot, C.; Binet, S.; Bourdarios, C.; Charfeddine, D.; De La Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Guillemin, T.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Li, Y.; Lounis, A.; Makovec, N.; Matricon, P.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Rybkin, G.; Schaffer, A. C.; Scifo, E.; Serin, L.; Simion, S.; Tanaka, R.; Tran, H. L.; Zerwas, D.; Zhang, Z.] Univ Paris 11, LAL, Orsay, France. [AbdelKhalek, S.; Ahmad, A.; Auge, E.; Bassalat, A.; Becot, C.; Binet, S.; Bourdarios, C.; Charfeddine, D.; De La Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Guillemin, T.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Li, Y.; Lounis, A.; Makovec, N.; Matricon, P.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Rybkin, G.; Schaffer, A. C.; Scifo, E.; Serin, L.; Simion, S.; Tanaka, R.; Tran, H. L.; Zerwas, D.; Zhang, Z.] CNRS, IN2P3, F-91405 Orsay, France. [Endo, M.; Hanagaki, K.; Hirose, M.; Lee, J. S. H.; Nomachi, M.; Okamura, W.; Sugaya, Y.] Osaka Univ, Grad Sch Sci, Osaka, Japan. [Bugge, L.; Bugge, M. K.; Cameron, D.; Gjelsten, B. K.; Gramstad, E.; Ould-Saada, F.; Pajchel, K.; Pedersen, M.; Read, A. L.; Rohne, O.; Smestad, L.; Stapnes, S.; Strandlie, A.] Univ Oslo, Dept Phys, Oslo, Norway. [Apolle, R.; Barr, A. J.; Behr, K.; Boddy, C. R.; Buckingham, R. M.; Cooper-Sarkar, A. M.; Ortuzar, M. Crispin; Dafinca, A.; Davies, E.; Gallas, E. J.; Gupta, S.; Gwenlan, C.; Hall, D.; Henderson, J.; Howard, J.; Huffman, T. B.; Issever, C.; King, R. S. B.; Kogan, L. A.; Lewis, A.; Liang, Z.; Livermore, S. S. A.; Nickerson, R. B.; Pachal, K.; Pinder, A.; Robichaud-Veronneau, A.; Ryder, N. C.; Sawyer, C.; Short, D.; Tseng, J. C-L.; Viehhauser, G. H. A.; Weidberg, A. R.; Zhong, J.] Univ Oxford, Dept Phys, Oxford, England. [Conta, C.; Dondero, P.; Ferrari, R.; Fraternali, M.; Gaudio, G.; Lanza, A.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoldi, A.; Vercesi, V.] Univ Pavia, Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Conta, C.; Dondero, P.; Fraternali, M.; Livan, M.; Negri, A.; Rebuzzi, D. M.; Rimoldi, A.] Univ Pavia, Dipartimento Fis, I-27100 Pavia, Italy. [Brendlinger, K.; Degenhardt, J.; Heim, S.; Hines, E.; Hong, T. M.; Jackson, B.; Keener, P. T.; Kroll, J.; Kunkle, J.; Lester, C. M.; Lipeles, E.; Newcomer, F. M.; Olivito, D.; Ospanov, R.; Saxon, J.; Schaefer, D.; Stahlman, J.; Thomson, E.; Tuna, A. N.; Van Berg, R.; Williams, H. H.] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. [Fedin, O. L.; Gratchev, V.; Grebenyuk, O. G.; Maleev, V. P.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Solovyev, V.] Petersburg Nucl Phys Inst, Gatchina, Russia. [Beccherle, R.; Bertolucci, F.; Cavasinni, V.; Del Prete, T.; Dell'Orso, M.; Donati, S.; Dotti, A.; Giannetti, P.; Roda, C.; Scuri, F.; White, S.] Univ Pisa, Ist Nazl Fis Nucl, Sez Pisa, I-56100 Pisa, Italy. [Beccherle, R.; Bertolucci, F.; Cavasinni, V.; Del Prete, T.; Dell'Orso, M.; Donati, S.; Dotti, A.; Giannetti, P.; Roda, C.; Scuri, F.; White, S.] Univ Pisa, Dipartimento Fis E Fermi, Pisa, Italy. [Bianchi, R. M.; Boudreau, J.; Cleland, W.; Escobar, C.; Kittelmann, T.; Mueller, J.; Prieur, D.; Sapp, K.; Su, J.; Yoosoofmiya, R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Aguilar-Saavedra, J. A.; Dos Santosa, S. P. Amor; Amorim, A.; Anjos, N.; Araque, J. P.; Carvalho, J.; Castro, N. F.; Muino, P. Conde; De Sousa, M. J. Da Cunha Sargedas; Wemans, A. Do Valle; Finelli, K. D.; Galhardo, B.; Gomes, A.; Goncalo, R.; Jorge, P. M.; Lopesa, L.; Miguens, J. Machado; Maio, A.; Maneira, J.; Marques, C. N.; Onofre, A.; Palma, A.; Pedro, R.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Delgado, A. Tavares; Veloso, F.; Wolters, H.] LIP, Lab Instrumentacao & Fis Expt Particulas, P-1000 Lisbon, Portugal. [Amorim, A.; Muino, P. Conde; De Sousa, M. J. Da Cunha Sargedas; Gomes, A.; Jorge, P. M.; Miguens, J. Machado; Maio, A.; Maneira, J.; Palma, A.; Pedro, R.; Pina, J.; Delgado, A. Tavares] Univ Lisbon, Fac Ciencias, Lisbon, Portugal. [Dos Santosa, S. P. Amor; Carvalho, J.; Finelli, K. D.; 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. [Wemans, A. Do Valle] Univ Nova Lisboa, Dep Fis, Caparica, Portugal. [Wemans, A. Do Valle] Univ Nova Lisboa, CEFITEC, Fac Ciencias & Tecnol, Caparica, Portugal. [Bohm, J.; Chudoba, J.; Havranek, M.; Hejbal, J.; Jakoubek, T.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Lysak, R.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Augsten, K.; Gallus, P.; Gunther, J.; Jakubek, J.; Kohout, Z.; Kral, V.; Pospisil, S.; Seifert, F.; Simak, V.; Slavicek, T.; Smolek, K.; Sodomka, J.; Solar, M.; Solc, J.; Sopko, V.; Sopko, B.; Stekl, I.; Suk, M.; Turecek, D.; Vacek, V.; Vlasak, M.; Vokac, P.; Vykydal, Z.; Zeman, M.] Czech Tech Univ, Prague, Czech Republic. [Balek, P.; Berta, P.; Cerny, K.; Chalupkova, I.; Davidek, T.; Dolejsi, J.; Dolezal, Z.; Kodys, P.; Leitner, R.; Novakova, J.; Pleskot, V.; Reznicek, P.; Rybar, M.; Scheirich, D.; Spousta, M.; Sykora, T.; Tas, P.; Todorova-Nova, S.; Valkar, S.; Vorobel, V.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Ammosov, V. V.; Borisov, A.; Denisov, S. P.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Golubkov, D.; Ivashin, A. V.; Karyukhin, A. N.; Korotkov, A.; Kozhin, S.; Minaenko, A. A.; Myagkov, A. G.; Nikolaenko, V.; Solodkov, A. A.; Solovyanov, O. V.; Starchenko, E. A.; Zaitsev, A. M.; Zenin, O.] Inst High Energy Phys, State Res Ctr, Protvino, Russia. [Adye, T.; Alviggi, M. G.; Baines, J. T.; Barnett, B. M.; Burke, S.; Dewhurst, A.; Emeliyanov, D.; Gallop, B. J.; Gee, C. N. P.; Kirk, J.; Martin-Haugh, S.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Phillips, P. W.; Sankey, D. P. C.; Scott, W. G.; Tyndel, M.; Wickens, F. J.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Benslama, K.] Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. [Tanaka, S.] Ritsumeikan Univ, Kusatsu, Shiga, Japan. [Anulli, F.; Bagiacchi, P.; Bagnaia, P.; Bini, C.; Ciapetti, G.; De Pedis, D.; De Salvo, A.; De Zorzi, G.; Di Domenico, A.; Dionisi, C.; Falciano, S.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Kuna, M.; Lacava, F.; Luci, C.; Luminari, L.; Marzano, F.; Mirabelli, G.; Monzani, S.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Vanadia, M.; Vari, R.; Zanello, L.] Sapienza Univ Roma, Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Bagiacchi, P.; Bagnaia, P.; Bini, C.; Ciapetti, G.; De Zorzi, G.; Di Domenico, A.; Dionisi, C.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Kuna, M.; Lacava, F.; Luci, C.; Monzani, S.; Camillocci, E. Solfaroli; Vanadia, M.; Zanello, L.] Sapienza Univ Roma, Dipartimento Fis, Rome, Italy. [Aielli, G.; Camarri, P.; Cardarelli, R.; Cattani, G.; DiCiaccio, A.; Grossi, G. C.; Liberti, B.; Marchese, F.; Mazzaferro, L.; Paolozzi, L.; Salamon, A.; Santonico, R.] Univ Roma Tor Vergata, Ist Nazl Fis Nucl, Sezi Roma Tor Vergata, Rome, Italy. [Aielli, G.; Camarri, P.; Cattani, G.; DiCiaccio, A.; Grossi, G. C.; Marchese, F.; Mazzaferro, L.; Paolozzi, L.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Bortolotto, V.; Branchini, P.; Ceradini, F.; Di Micco, B.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Stanescu, C.; Trovatelli, M.] Univ Roma Tre, Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Bacci, C.; Bortolotto, V.; Ceradini, F.; Di Micco, B.; Orestano, D.; Pastore, F.; Petrucci, F.; Trovatelli, M.] Univ Roma Tre, Dipartimento Matemat & Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummadaa, 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, LPHEA, Fac Sci Semlalia, Marrakech, Morocco. [Boutouil, S.; Derkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Boutouil, S.; Derkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] LPTPM, Oujda, Morocco. [El Moursli, R. Cherkaoui; Haddad, N.] Univ Mohammed V Agdal, Fac Sci, Rabat, Morocco. [Abreu, H.; Bachacou, H.; Balli, F.; Bauer, F.; Besson, N.; Blanchard, J. -B.; Bolnet, N. M.; Boonekamp, M.; Chevalier, L.; Hoffmann, M. Dano; Deliot, F.; Ernwein, J.; Etienvre, A. I.; Formica, A.; Giraud, P. F.; Grabas, H. M. X.; Groth-Jensen, J.; Guyot, C.; Hassani, S.; Kozanecki, W.; Lancon, E.; Laporte, J. F.; Maiani, C.; Mal, P.; Mansoulie, B.; Martinez, H.; Meric, N.; Meyer, J-P.; Mijovic, L.; Nicolaidou, R.; Ouraou, A.; Protopapadaki, E.; Resende, B.; Royon, C. R.; Schoeffel, L.; Schune, Ph.; Schwemling, Ph.; Schwindling, J.; Tsionou, D.; Vranjes, N.; Xiao, M.] CEA Saclay, DSM IRFU Inst Rech Lois Fondamentles Univ, Commissariat Energie Atom & Energies Alternativ, F-91191 Gif Sur Yvette, France. [Grillo, A. A.; Kuhl, A.; Law, A. T.; Litke, A. M.; Lockman, W. S.; Manning, P. M.; Nielsen, J.; Reece, R.; Sadrozinski, H. F-W.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Beckingham, M.; Blackburn, D.; Coccaro, A.; Goussiou, A. G.; Harris, O. M.; Hsu, S. -C.; Lubatti, H. J.; Marx, M.; Rompotis, N.; Rosten, R.; Rothberg, J.; De Bruin, P. H. Sales; Verducci, M.; Watts, G.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Anastopoulos, C.; Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Fletcher, G. T.; Hodgkinson, M. C.; Hodgson, P.; Johansson, P.; Korolkova, E. V.; Paredes, B. Lopez; Miyagawa, P. S.; Paganis, E.; Suruliz, K.; Tovey, D. R.; Tua, A.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Atlay, N. B.; Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Ibragimov, I.; Ikematsu, K.; Rammes, M.; Rosenthal, O.; Sipica, V.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. [Buat, Q.; Dawe, E.; Godfrey, J.; Kvita, J.; O'Neil, D. C.; Petteni, M.; Stelzer, B.; Tanasijczuk, A. J.; Torres, H.; Trottier-McDonald, M.; Van Nieuwkoop, J.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Aracena, I.; Mayes, J. Backus; Barklow, T.; Bartoldus, R.; Bawa, H. S.; Black, J. E.; Cogan, J. G.; Eifert, T.; Fulsom, B. G.; Gao, Y. S.; Garelli, N.; Grenier, P.; Kagan, M.; Kocian, M.; Koi, T.; Lowe, A. J.; Malone, C.; Mount, R.; Nelson, T. K.; Piacquadio, G.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Strauss, E.; Su, D.; Swiatlowski, M.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Astalos, R.; Bartos, P.; Batkova, L.; Blazek, T.; Federic, P.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Kladiva, E.; Strizenec, P.] Slovak Acad Sci, Inst Expt Phys, Dept Subnuclear Phys, Kosice 04353, Slovakia. [Hamilton, A.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Aurousseau, M.; Castaneda-Miranda, E.; Connell, S. H.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Bristow, K.; Carrillo-Montoya, G. D.; Chen, X.; Huangc, Y.; Garcia, B. R. Mellado; Ruan, X.; Vickey, T.; Boeriu, O. E. Vickey] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa. [Abulaitia, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Johansson, K. E.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Silverstein, S. B.; Sjoelin, J.; Strandberg, S.; Tylmad, M.] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Abulaitia, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Clement, C.; Gellerstedt, K.; Hellman, S.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Sjoelin, J.; Strandberg, S.; Tylmad, M.] Oskar Klein Ctr, Stockholm, Sweden. [Jovicevic, J.; Kuwertz, E. S.; Lund-Jensen, B.; Morley, A. K.; Strandberg, J.] Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. [Ahmad, A.; Bee, C. P.; Campoverde, A.; Chen, K.; Engelmann, R.; Grassi, V.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Ahmad, A.; Bee, C. P.; Campoverde, A.; Chen, K.; Engelmann, R.; Grassi, V.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Bartsch, V.; Cerri, A.; Barajas, C. A. Chavez; De Santo, A.; Grout, Z. J.; Potter, C. J.; Rose, A.; Salvatore, F.; Castillo, I. Santoyo; Sutton, M. R.; Vivarelli, I.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex, England. [Bangert, A.; Black, C. W.; Cuthbert, C.; Fincke-Keeler, M.; Jeng, G. -Y.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdallah, J.; Chu, M. L.; Hou, S.; Jamin, O.; Lee, C. A.; Lee, S. C.; Lin, S. C.; Liu, B.; Liu, D.; Lo Sterzo, F.; Mazini, R.; Ren, Z. L.; Soh, D. A.; Teng, P. K.; Wang, C.; Wang, S. M.; Weng, Z.; Zhang, L.] Acad Sin, Inst Phys, Taipei, Taiwan. [Di Mattia, A.; Kopeliansky, R.; Musto, E.; Rozen, Y.; Tarem, S.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Ashkenazi, A.; Bella, G.; Benary, O.; Benhammou, Y.; Etzion, E.; Gershon, A.; Gueta, O.; Guttman, N.; Munwes, Y.; Oren, Y.; Sadeh, I.; Silver, Y.; Soffer, A.; Taiblum, N.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Bachas, K.; Gkialas, I.; Iliadis, D.; Kordas, K.; Kouskoura, V.; Nomidis, I.; Papageorgiou, K.; Petridou, C.; Sampsonidis, D.] Aristotle Univ Thessaloniki, Dept Phys, GR-54006 Thessaloniki, Greece. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo, Japan. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 158, Japan. [Ishitsuka, M.; Jinnouchi, O.; Kanno, T.; Kuze, M.; Nagai, R.; Nobe, T.; Pettersson, N. E.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [AbouZeid, O. S.; Bailey, D. C.; Brelier, B.; Chau, C. C.; Ilic, N.; Keung, J.; Krieger, P.; McGoldrick, G.; Orr, R. S.; Polifka, R.; Rudolph, M. S.; Savard, P.; Schramm, S.; Sinervo, P.; Spreitzer, T.; Taenzer, J.; Teuscher, R. J.; Thompson, P. D.; Trischuk, W.; Venturi, N.] Univ Toronto, Dept Phys, Toronto, ON, Canada. [Canepa, A.; Chekulaev, S. V.; Fortin, D.; Koutsman, A.; Losty, M. J.; Oram, C. J.; Codina, E. Perez; Schouten, D.; Seuster, R.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Garcia, J. A. Benitez; Bustos, A. C. Florez; Ramos, J. A. Manjarres; Palacino, G.; Qureshi, A.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Kim, S. H.; Kiuchi, K.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan. [Beauchemin, P. H.; Hamilton, S.; Meoni, E.; Rolli, S.; Sliwa, K.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA 02155 USA. [Losada, M.; Navas, L. Mendoza; Navarro, G.; Sandoval, C.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Corso-Radu, A.; Gerbaudo, D.; Lankford, A. J.; Mete, A. S.; Nelson, A.; Rao, K.; Relich, M.; Scannicchio, D. A.; Schernau, M.; Shimmin, C. O.; Taffard, A.; Toggerson, B.; Unel, G.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; Quayle, W. B.; Shaw, K.; Soualah, R.] Ist Nazl Fis Nucl, Sez Trieste, Grp Collegato Udine, Udine, Italy. [Acharya, B. S.; Quayle, W. B.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; Shaw, K.; Soualah, R.] Univ Udine, Dipartimento Chim Fis & Ambiente, I-33100 Udine, Italy. [Atkinson, M.; Basye, A.; Benekos, N.; Cavaliere, V.; Chang, P.; Coggeshall, J.; Errede, D.; Errede, S.; Lie, K.; Liss, T. M.; Neubauer, M. S.; Vichou, I.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Buszello, C. P.; Coniavitis, E.; Ellert, M.; Ferrari, A.; Isaksson, C.; Madsen, A.; Ohman, H.; Pelikan, D.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiolhais, M. C. N.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Inst Fis Corpuscular IFIC, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiolhais, M. C. N.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiolhais, M. C. N.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiolhais, M. C. N.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, CNM, IMB, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiolhais, M. C. N.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] CSIC, Valencia, Spain. [Fedorko, W.; Gay, C.; Gecse, Z.; King, S. B.; Lister, A.; Loh, C. W.; Swedish, S.; Viel, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Albert, J.; Bansal, V.; Berghaus, F.; Bernlochner, F. U.; David, C.; Keeler, R.; Kowalewski, R.; Lefebvre, M.; Marino, C. P.; McPherson, R. A.; Ouellette, E. A.; Pearce, J.; Sobie, R.] Univ Victoria, Dept Phys & Astron, Victoria, BC, Canada. [Farrington, S. M.; Harrison, P. F.; Janus, M.; Jeske, C.; Jones, G.; Martin, T. A.; Murray, W. J.; Pianori, E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Iizawa, T.; Kimura, N.; Mitani, T.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo, Japan. [Alon, R.; Barak, L.; Bressler, S.; Citron, Z. H.; Duchovni, E.; Gabizon, O.; Gross, E.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Schaarschmidt, J.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Banerjee, Sw.; Dos Anjos, A.; Castillo, L. R. Flores; Hard, A. S.; Ji, H.; Ju, X.; Kashif, L.; Kruse, A.; Ming, Y.; Pan, Y. B.; Wang, F.; Wiedenmann, W.; Wu, S. L.; Yang, H.; Zhang, F.; Zobernig, G.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Fleischmann, P.; Redelbach, A.; Schreyer, M.; Siragusa, G.; Stroehmer, R.; Tam, J. Y. C.; Trefzger, T.; Weber, S. W.] Univ Wurzburg, Fak Phys & Astron, D-97070 Wurzburg, Germany. [Bannoura, A. A. E.; Barisonzi, M.; Becker, K.; Beermann, T. A.; Boek, J.; Boek, T. T.; Braun, H. M.; Cornelissen, T.; Duda, D.; Ernis, G.; Firan, A.; Fleischmann, S.; Flick, T.; Gorfine, G.; Hamacher, K.; Harenberg, T.; Heim, T.; Hirschbuehl, D.; Kersten, S.; Khoroshilov, A.; Kohlmann, S.; Lenzen, G.; Maettig, P.; Neumann, M.; Pataraia, S.; Sandhoff, M.; Sartisohn, G.; Wagner, W.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich C Phys, Wuppertal, Germany. [Adelman, J.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Cummings, J.; Czyczula, Z.; Demers, S.; Erdmann, J.; Garberson, F.; Golling, T.; Guest, D.; Henrichs, A.; Ideal, E.; Lagouri, T.; Lee, L.; Leister, A. G.; Loginov, A.; Tipton, P.; Wall, R.; Walsh, B.; Wang, X.] Yale Univ, Dept Phys, New Haven, CT USA. [Hakobyan, H.; Vardanyan, G.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Hobbs, J.; Rahal, G.] Inst Natl Phys Nucl & Phys Particules, IN2P3, Ctr Calcul, Villeurbanne, France. [Acharya, B. S.] Kings Coll London, Dept Phys, London, England. [Ahmadov, F.; Huseynov, N.] Azerbaijan Acad Sci, Inst Phys, Baku 370143, Azerbaijan. [Apolle, R.; Davies, E.; Murray, W. J.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Azuelos, G.; Gingrich, D. M.; Oakham, F. G.; Savard, P.; Vetterli, M. C.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Bawa, H. S.; Gao, Y. S.; Lowe, A. J.] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA. [Beloborodova, O. L.; Maximov, D. A.; Talyshev, A. A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Chen, L.; Gao, J.] Aix Marseille Univ, CPPM, Marseille, France. [Chen, L.; Gao, J.] CNRS, IN2P3, Marseille, France. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Ge, P.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Gkialas, I.; Papageorgiou, K.] Univ Aegean, Dept Financial & Management Engn, Chios, Greece. [Greenwood, Z. D.; Sawyer, L.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Grinstein, S.; Rozas, A. Juste; Martinez, M.] ICREA, Barcelona, Spain. [Zerwas, D.] CERN, Geneva, Switzerland. [Kono, T.] Ochanomizu Univ, Tokyo 112, Japan. [Konoplich, R.] Manhattan Coll, New York, NY USA. [Li, B.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Li, Y.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Liang, Z.; Soh, D. A.; Weng, Z.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou, Peoples R China. [Lin, S. C.] Acad Sinica, Inst Phys, Acad Sinica Grid Comp, Taipei, Taiwan. [Liu, K.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Liu, K.] Univ Paris Diderot, Paris, France. [Liu, K.] CNRS, IN2P3, Paris, France. [Mal, P.] Sch Phys Sci, Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Messina, A.] Sapienza Univ Roma, Dipartimento Fis, Rome, Italy. [Myagkov, A. G.; Nikolaenko, V.; Zaitsev, A. M.] State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi, Russia. [Nessi, M.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Onyisi, P. U. E.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Pasztor, G.; Toth, J.] Inst Particle & Nucl Phys, Wigner Res Ctr Phys, Budapest, Hungary. [Pinamonti, M.] Int Sch Adv Studies SISSA, Trieste, Italy. [Purohit, M.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Smirnova, L. N.; Turchikhin, S.] MN Lomonosov Moscow State Univ, Fac Phys, Moscow, Russia. [Tamsett, M. C.] Brookhaven Natl Lab, Fac Phys, Upton, NY 11973 USA. [Tikhomirov, V. O.] Moscow Engn & Phys Inst MEPhI, Moscow, Russia. [Vickey, T.] Univ Oxford, Dept Phys, Oxford, England. [Wildt, M. A.] Univ Hamburg, Inst Experimentalphys, Hamburg, Germany. [Xu, L.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Yacoob, S.] Univ KwaZulu Natal, Discipline Phys, Durban, South Africa. RP Ammosov, VV (reprint author), Inst High Energy Phys, State Res Ctr, Protvino, Russia. EM atlas.publications@cern.ch RI la rotonda, laura/B-4028-2016; Aguilar Saavedra, Juan Antonio/F-1256-2016; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Pacheco Pages, Andres/C-5353-2011; Vranjes Milosavljevic, Marija/F-9847-2016; SULIN, VLADIMIR/N-2793-2015; Nechaeva, Polina/N-1148-2015; Vykydal, Zdenek/H-6426-2016; Olshevskiy, Alexander/I-1580-2016; Solfaroli Camillocci, Elena/J-1596-2012; BESSON, NATHALIE/L-6250-2015; Vanadia, Marco/K-5870-2016; Ippolito, Valerio/L-1435-2016; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Yang, Haijun/O-1055-2015; Chekulaev, Sergey/O-1145-2015; Gorelov, Igor/J-9010-2015; Gladilin, Leonid/B-5226-2011; Andreazza, Attilio/E-5642-2011; Carvalho, Joao/M-4060-2013; Mashinistov, Ruslan/M-8356-2015; Buttar, Craig/D-3706-2011; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Joergensen, Morten/E-6847-2015; Riu, Imma/L-7385-2014; Mir, Lluisa-Maria/G-7212-2015; Della Pietra, Massimo/J-5008-2012; Cavalli-Sforza, Matteo/H-7102-2015; Petrucci, Fabrizio/G-8348-2012; Negrini, Matteo/C-8906-2014; Ferrer, Antonio/H-2942-2015; Grancagnolo, Sergio/J-3957-2015; spagnolo, stefania/A-6359-2012; Ciubancan, Liviu Mihai/L-2412-2015; Shmeleva, Alevtina/M-6199-2015; Camarri, Paolo/M-7979-2015; Kuleshov, Sergey/D-9940-2013; Gabrielli, Alessandro/H-4931-2012; Castro, Nuno/D-5260-2011; Lei, Xiaowen/O-4348-2014; Doyle, Anthony/C-5889-2009; Wemans, Andre/A-6738-2012; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; De, Kaushik/N-1953-2013; Mitsou, Vasiliki/D-1967-2009; Smirnova, Oxana/A-4401-2013; White, Ryan/E-2979-2015; Svatos, Michal/G-8437-2014; Staroba, Pavel/G-8850-2014; Warburton, Andreas/N-8028-2013; Turchikhin, Semen/O-1929-2013; Boldyrev, Alexey/K-6303-2012; Moraes, Arthur/F-6478-2010; Boyko, Igor/J-3659-2013; Peleganchuk, Sergey/J-6722-2014; Ferrando, James/A-9192-2012; Bosman, Martine/J-9917-2014; Brooks, William/C-8636-2013; Villa, Mauro/C-9883-2009; Nozka, Libor/G-5550-2014; Lysak, Roman/H-2995-2014; Kuday, Sinan/C-8528-2014; Kepka, Oldrich/G-6375-2014; Lokajicek, Milos/G-7800-2014; Jakoubek, Tomas/G-8644-2014; Kupco, Alexander/G-9713-2014; Di Domenico, Antonio/G-6301-2011; de Groot, Nicolo/A-2675-2009; Hejbal, Jiri/H-1358-2014; Marcisovsky, Michal/H-1533-2014; Mikestikova, Marcela/H-1996-2014; Simak, Vladislav/H-2996-2014; Snesarev, Andrey/H-5090-2013; Grancagnolo, Francesco/K-2857-2015; Korol, Aleksandr/A-6244-2014; Karyukhin, Andrey/J-3904-2014; Capua, Marcella/A-8549-2015; Tartarelli, Giuseppe Francesco/A-5629-2016; Fassi, Farida/F-3571-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; messina, andrea/C-2753-2013; Prokoshin, Fedor/E-2795-2012; KHODINOV, ALEKSANDR/D-6269-2015; Gauzzi, Paolo/D-2615-2009; Fabbri, Laura/H-3442-2012; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Martinez, Mario /I-3549-2015; Monzani, Simone/D-6328-2017; OI Belanger-Champagne, Camille/0000-0003-2368-2617; la rotonda, laura/0000-0002-6780-5829; Osculati, Bianca Maria/0000-0002-7246-060X; Coccaro, Andrea/0000-0003-2368-4559; Della Volpe, Domenico/0000-0001-8530-7447; Mendes Saraiva, Joao Gentil/0000-0002-7006-0864; Pina, Joao /0000-0001-8959-5044; Salamanna, Giuseppe/0000-0002-0861-0052; Veneziano, Stefano/0000-0002-2598-2659; Lacasta, Carlos/0000-0002-2623-6252; Price, Darren/0000-0003-2750-9977; Aguilar Saavedra, Juan Antonio/0000-0002-5475-8920; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Pacheco Pages, Andres/0000-0001-8210-1734; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; SULIN, VLADIMIR/0000-0003-3943-2495; Vykydal, Zdenek/0000-0003-2329-0672; Olshevskiy, Alexander/0000-0002-8902-1793; Solfaroli Camillocci, Elena/0000-0002-5347-7764; Vanadia, Marco/0000-0003-2684-276X; Ippolito, Valerio/0000-0001-5126-1620; Tikhomirov, Vladimir/0000-0002-9634-0581; Gorelov, Igor/0000-0001-5570-0133; Gladilin, Leonid/0000-0001-9422-8636; Andreazza, Attilio/0000-0001-5161-5759; Carvalho, Joao/0000-0002-3015-7821; Mashinistov, Ruslan/0000-0001-7925-4676; Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Guo, Jun/0000-0001-8125-9433; Joergensen, Morten/0000-0002-6790-9361; Riu, Imma/0000-0002-3742-4582; Mir, Lluisa-Maria/0000-0002-4276-715X; Della Pietra, Massimo/0000-0003-4446-3368; Petrucci, Fabrizio/0000-0002-5278-2206; Negrini, Matteo/0000-0003-0101-6963; Ferrer, Antonio/0000-0003-0532-711X; Grancagnolo, Sergio/0000-0001-8490-8304; spagnolo, stefania/0000-0001-7482-6348; Ciubancan, Liviu Mihai/0000-0003-1837-2841; Camarri, Paolo/0000-0002-5732-5645; Kuleshov, Sergey/0000-0002-3065-326X; Gabrielli, Alessandro/0000-0001-5346-7841; Castro, Nuno/0000-0001-8491-4376; Lei, Xiaowen/0000-0002-2564-8351; Doyle, Anthony/0000-0001-6322-6195; Wemans, Andre/0000-0002-9669-9500; Ventura, Andrea/0000-0002-3368-3413; Livan, Michele/0000-0002-5877-0062; De, Kaushik/0000-0002-5647-4489; Mitsou, Vasiliki/0000-0002-1533-8886; Smirnova, Oxana/0000-0003-2517-531X; White, Ryan/0000-0003-3589-5900; Svatos, Michal/0000-0002-7199-3383; Warburton, Andreas/0000-0002-2298-7315; Turchikhin, Semen/0000-0001-6506-3123; Moraes, Arthur/0000-0002-5157-5686; Boyko, Igor/0000-0002-3355-4662; Peleganchuk, Sergey/0000-0003-0907-7592; Ferrando, James/0000-0002-1007-7816; Bosman, Martine/0000-0002-7290-643X; Brooks, William/0000-0001-6161-3570; Villa, Mauro/0000-0002-9181-8048; Kuday, Sinan/0000-0002-0116-5494; Di Domenico, Antonio/0000-0001-8078-2759; Mikestikova, Marcela/0000-0003-1277-2596; Grancagnolo, Francesco/0000-0002-9367-3380; Korol, Aleksandr/0000-0001-8448-218X; Karyukhin, Andrey/0000-0001-9087-4315; Smestad, Lillian/0000-0002-0244-8736; Giordani, Mario/0000-0002-0792-6039; Capua, Marcella/0000-0002-2443-6525; Di Micco, Biagio/0000-0002-4067-1592; Tartarelli, Giuseppe Francesco/0000-0002-4244-502X; Doria, Alessandra/0000-0002-5381-2649; Fassi, Farida/0000-0002-6423-7213; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; Prokoshin, Fedor/0000-0001-6389-5399; KHODINOV, ALEKSANDR/0000-0003-3551-5808; Gauzzi, Paolo/0000-0003-4841-5822; Fabbri, Laura/0000-0002-4002-8353; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Monzani, Simone/0000-0002-0479-2207; Veloso, Filipe/0000-0002-5956-4244 FU ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF, Austria; FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq, Brazil; FAPESP, Brazil; NSERC, Canada; NRC, Canada; CFI, Canada; CERN; CONICYT, Chile; CAS, China; MOST, China; NSFC, China; COLCIENCIAS, Colombia; MSMT CR, Czech Republic; MPO CR, Czech Republic; VSC CR, Czech Republic; DNRF, Denmark; DNSRC, Denmark; Lundbeck Foundation, Denmark; EPLANET, European Union; ERC, European Union; NSRF, European Union; IN2P3-CNRS, France; CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, Germany; DFG, Germany; HGF, Germany; MPG, Germany; AvH Foundation, Germany; GSRT, Greece; NSRF, Greece; ISF, Israel; MINERVA, Israel; GIF, Israel; I-CORE, Israel; Benoziyo Center, Israel; INFN, Italy; MEXT, Japan; JSPS, Japan; CNRST, Morocco; FOM, Netherlands; NWO, Netherlands; BRF, Norway; RCN, Norway; MNiSW, Poland; NCN, Poland; GRICES, Portugal; FCT, Portugal; MNE/IFA, Romania; MES of Russia, Russian Federation; ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS, Slovenia; MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC, Sweden; Wallenberg Foundation, Sweden; SER, Switzerland; SNSF, Switzerland; Canton of Bern, Switzerland; Canton of Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, United Kingdom; Royal Society, United Kingdom; Leverhulme Trust, United Kingdom; DOE, United States of America; NSF, United States of America FX We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; EPLANET, ERC and NSRF, European Union; IN2P3-CNRS, CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT and NSRF, Greece; ISF, MINERVA, GIF, I-CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; BRF and RCN, Norway; MNiSW and NCN, Poland; GRICES and FCT, Portugal; MNE/IFA, Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. NR 63 TC 51 Z9 51 U1 10 U2 124 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 1 PY 2014 VL 732 BP 8 EP 27 DI 10.1016/j.physletb.2014.03.015 PG 20 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG3HZ UT WOS:000335307900002 ER PT J AU Frederix, R Frixione, S Hirschi, V Maltoni, F Mattelaer, O Torrielli, P Vryonidou, E Zaroe, M AF Frederix, R. Frixione, S. Hirschi, V. Maltoni, F. Mattelaer, O. Torrielli, P. Vryonidou, E. Zaroe, M. TI Higgs pair production at the LHC with NLO and parton-shower effects SO PHYSICS LETTERS B LA English DT Article ID TO-LEADING ORDER; HADRONIC COLLISIONS; MATRIX-ELEMENTS; CROSS-SECTIONS; QCD AB We present predictions for the SM-Higgs-pair production channels of relevance at the LHC: gluon-gluon fusion, VBF, and top-pair, W, Z and single-top associated production. All these results are at the NLO accuracy in QCD, and matched to parton showers by means of the MC@NLO method; hence, they are fully differential. With the exception of the gluon-gluon fusion process, for which a special treatment is needed in order to improve upon the infinite-top-mass limit, our predictions are obtained in a fully automatic way within the publicly available MADGRAPH5_AMC@NLO framework. We show that for all channels in general, and for gluon-gluon fusion and top-pair associated production in particular, NLO corrections reduce the theoretical uncertainties, and are needed in order to arrive at reliable predictions for total rates as well as for distributions. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Frederix, R.; Frixione, S.] CERN, PH Dept, TH Unit, CH-1211 Geneva, Switzerland. [Hirschi, V.] SLAC, Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Maltoni, F.; Mattelaer, O.; Vryonidou, E.] Catholic Univ Louvain, Ctr Cosmol Particle Phys & Phenomenol CP3, B-1348 Louvain, Belgium. [Torrielli, P.] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Zaroe, M.] Univ Paris 06, UMR 7589, LPTHE, F-7505 Paris, France. [Zaroe, M.] CNRS, UM 7589, LPTHE, F-75005 Paris, France. RP Zaroe, M (reprint author), Univ Paris 06, UMR 7589, LPTHE, F-75005 Paris, France. OI Torrielli, Paolo/0000-0003-0691-0788; Zaro, Marco/0000-0002-3279-7355 FU ERC grant [291377]; Swiss National Science Foundation (SNF) [200020-138206, 200020-149517, PBELP2_146525]; Research Executive Agency (REA) of the European Union [PITN-GA-2010-264564, PITN-GA-2012-315877]; IISN "MadGraph" convention [4.4511.10]; IISN "Fundamental interactions" convention [4.4517.08]; Belgian Federal Science Policy Office through the Interuniversity Attraction Pole [P7/37] FX This work has been supported in part by the ERC grant 291377 "LHC Theory", by the Swiss National Science Foundation (SNF) under contracts 200020-138206 and 200020-149517, and grant PBELP2_146525, by the Research Executive Agency (REA) of the European Union under the Grant Agreement numbers PITN-GA-2010-264564 (LHCPhenoNet) and PITN-GA-2012-315877 (MCNet). The work of F.M. and O.M. is supported by the IISN "MadGraph" convention 4.4511.10, by the IISN "Fundamental interactions" convention 4.4517.08, and in part by the Belgian Federal Science Policy Office through the Interuniversity Attraction Pole P7/37. O.M. is "Chercheur scientifique logistique postdoctoral F.R.S.-FNRS". NR 47 TC 58 Z9 58 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 1 PY 2014 VL 732 BP 142 EP 149 DI 10.1016/j.physletb.2014.03.026 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG3HZ UT WOS:000335307900024 ER PT J AU Kwan, E Wu, CY Summers, NC Hackman, G Drake, TE Andreoiu, C Ashley, R Ball, GC Bender, PC Boston, AJ Boston, HC Chester, A Close, A Cline, D Cross, DS Dunlop, R Finlay, A Garnsworthy, AB Hayes, AB Laffoley, AT Nano, T Navratil, P Pearson, CJ Pore, J Quaglioni, S Svensson, CE Starosta, K Thompson, IJ Voss, P Williams, SJ Wang, ZM AF Kwan, E. Wu, C. Y. Summers, N. C. Hackman, G. Drake, T. E. Andreoiu, C. Ashley, R. Ball, G. C. Bender, P. C. Boston, A. J. Boston, H. C. Chester, A. Close, A. Cline, D. Cross, D. S. Dunlop, R. Finlay, A. Garnsworthy, A. B. Hayes, A. B. Laffoley, A. T. Nano, T. Navratil, P. Pearson, C. J. Pore, J. Quaglioni, S. Svensson, C. E. Starosta, K. Thompson, I. J. Voss, P. Williams, S. J. Wang, Z. M. TI Precision measurement of the electromagnetic dipole strengths in Be-11 SO PHYSICS LETTERS B LA English DT Article ID HALO NUCLEUS BE-11; INTERACTION CROSS-SECTIONS; COULOMB-EXCITATION; DISSOCIATION; RADII AB The electromagnetic dipole strength in Be-11 between the bound states has been measured using low-energy projectile Coulomb excitation at bombarding energies of 1.73 and 2.09 MeV/nucleon on a Pt-196 target. An electric dipole transition probability B(E1; 1/2(-) -> 1/2(+)) = 0.102(2) e(2) fm(2) was determined using the semi-classical code Gosia, and a value of 0.098(4) e(2) fm(2) was determined using the Extended Continuum Discretized Coupled Channels method with the quantum mechanical code FRESCO. These extracted B(E1) values are consistent with the average value determined by a model-dependent analysis of intermediate energy Coulomb excitation measurements and are approximately 14% lower than that determined by a lifetime measurement. The much-improved precisions of 2% and 4% in the measured B(E1) values between the bound states deduced using Gosia and the Extended Continuum Discretized Coupled Channels method, respectively, compared to the previous accuracy of similar to 10% will help in our understanding of and better improve the realistic inter-nucleon interactions. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Kwan, E.; Wu, C. Y.; Summers, N. C.; Quaglioni, S.; Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hackman, G.; Ball, G. C.; Bender, P. C.; Close, A.; Garnsworthy, A. B.; Navratil, P.; Pearson, C. J.; Williams, S. J.; Wang, Z. M.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Drake, T. E.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Andreoiu, C.; Ashley, R.; Chester, A.; Cross, D. S.; Pore, J.; Starosta, K.; Voss, P.; Wang, Z. M.] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. [Boston, A. J.; Boston, H. C.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England. [Cline, D.; Hayes, A. B.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Laffoley, A. T.; Svensson, C. E.] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Nano, T.] Univ Windsor, Windsor, ON N9B 3P4, Canada. RP Drake, TE (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM kwan@nscl.msu.edu; wu24@llnl.gov FU U.S. DOE by LLNL [DE-AC52-07NA27344]; National Science Foundation [0969079]; Natural Sciences and Engineering Research Council of Canada; National Research Council of Canada FX This work was performed in part under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344 and the National Science Foundation (award number 0969079). Partially supported by the Natural Sciences and Engineering Research Council of Canada is also acknowledged. TRIUMF receives federal funding via a contribution agreement from the National Research Council of Canada. NR 40 TC 3 Z9 3 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 1 PY 2014 VL 732 BP 210 EP 213 DI 10.1016/j.physletb.2014.03.049 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG3HZ UT WOS:000335307900036 ER PT J AU Marshall, Z Ovrut, BA Purves, A Spinner, S AF Marshall, Zachary Ovrut, Burt A. Purves, Austin Spinner, Sogee TI Spontaneous R-parity breaking, stop LSP decays and the neutrino mass hierarchy SO PHYSICS LETTERS B LA English DT Article ID HETEROTIC COMPACTIFICATIONS; SCALAR LEPTOQUARKS; ATLAS DETECTOR; PP COLLISIONS; ROOT-S=7 TEV; GENERATION; SEARCH AB The MSSM with right-handed neutrino supermultiplets, gauged B - L symmetry and a non-vanishing sneutrino expectation value is the minimal theory that spontaneously breaks R-parity and is consistent with the bounds on proton stability and lepton number violation. This minimal B - L MSSM can have a colored/charged LSP, of which a stop LSP is the most amenable to observation at the LHC. We study the R-parity violating decays of a stop LSP into a bottom quark and charged leptons - the dominant modes for a generic "admixture" stop. A numerical analysis of the relative branching ratios of these decay channels is given using a wide scan over the parameter space. The fact that R-parity is violated in this theory by a vacuum expectation value of a sneutrino links these branching ratios directly to the neutrino mass hierarchy. It is shown how a discovery of bottom-charged lepton events at the LHC can potentially determine whether the neutrino masses are in a normal or inverted hierarchy, as well as determining the theta(23) neutrino mixing angle. Finally, present LHC bounds on these leptoquark signatures are used to put lower bounds on the stop mass. (C) 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (h4p://creativecommons,orgilicenses/by/3,0/). Funded by SCOAP(3). C1 [Marshall, Zachary] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94704 USA. [Ovrut, Burt A.; Purves, Austin; Spinner, Sogee] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. RP Spinner, S (reprint author), Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. EM zlmarshall@lbl.gov; ovrut@elcapitan.hep.upenn.edu; apurves@sas.upenn.edu; sogee@sas.upenn.edu FU DOE [DE-AC02-76-ER-03071]; NSF [1001296]; Office of High Energy Physics of the U.S. Department of Energy [DE-AC02-05CH11231] FX S. Spinner is indebted to P. Fileviez Perez for extensive discussion and a long term collaboration on related topics. S. Spinner would also like to thank the Max-Planck Institute for Nuclear Physics for hospitality during the early part of this work and T. Schwetz for useful discussion. B.A. Ovrut, A. Purves and S. Spinner are supported in part by the DOE under contract No. DE-AC02-76-ER-03071 and by the NSF under grant No. 1001296. The work of Z. Marshall is supported by the Office of High Energy Physics of the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 39 TC 14 Z9 14 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 1 PY 2014 VL 732 BP 325 EP 329 DI 10.1016/j.physletb.2014.03.052 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AG3HZ UT WOS:000335307900054 ER PT J AU Woods, J AF Woods, Jason TI Membrane processes for heating, ventilation, and air conditioning SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE HVAC; Buildings; Membrane; Air conditioning; Liquid desiccant; Energy recovery ventilator ID ENERGY RECOVERY VENTILATOR; SUPPORTED LIQUID-MEMBRANE; SPACER-FILLED CHANNELS; MASS-TRANSFER; ENTHALPY EXCHANGER; MOISTURE TRANSFER; CONCENTRATION POLARIZATION; MICROPOROUS MEMBRANES; THEORETICAL-ANALYSIS; POLYMER MEMBRANES AB This article reviews literature on using membranes in heating, ventilation, and air conditioning (HVAC) applications. Membranes enable the separation of one species from another, and membranes allowing the selective permeation of water vapor can be used to condition air in buildings, potentially more efficiently than conventional HVAC equipment. After a brief background on membrane technology, this review focuses on the following processes: vacuum membrane dehumidification; membrane energy recovery ventilation; liquid desiccant dehumidification; liquid desiccant regeneration; evaporative cooling; and humidification. It highlights the design, modeling, and experimental research on these topics, and suggests areas for further research. (C) 2014 Published by Elsevier Ltd. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Woods, J (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM jason.woods@nrel.gov OI Woods, Jason/0000-0002-7661-2658 FU US Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the US Department of Energy under Contract no. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The author would like to thank Eric Kozubal, Dane Christensen, Kim Trenbath, and Jay Burch for their helpful comments. NR 137 TC 23 Z9 23 U1 5 U2 54 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 MAY PY 2014 VL 33 BP 290 EP 304 DI 10.1016/j.rser.2014.01.092 PG 15 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AG4XO UT WOS:000335423900027 ER PT J AU Hasanbeigi, A Arens, M Price, L AF Hasanbeigi, Ali Arens, Marlene Price, Lynn TI Alternative emerging ironmaking technologies for energy-efficiency and carbon dioxide emissions reduction: A technical review SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Ironmaking; Emerging technology; Energy-efficiency; CO2 emission-reduction; Research and development AB Iron and steel manufacturing is among the most energy-intensive industries. Ironmaking accounts for the major share of total energy use in steel production in integrated steel mills that use blast furnaces and basic oxygen furnace. Although studies from around the world have identified a wide range of energy-efficiency technologies applicable to the ironmaking process that have already been commercialized, information is limited and/or scattered regarding alternative emerging or advanced energy-efficiency and low-carbon technologies that are not yet fully commercialized. This paper consolidates available information on 12 alternative emerging ironmaking technologies, with the intent of providing a well-structured database of information on these technologies for engineers, researchers, investors, steel companies, policy makers, and other interested parties. For each technology included, we provide information on energy savings and environmental and other benefits, costs, and commercialization status. All the alternative emerging ironmaking technologies eliminate energy-intensive coke production. COREX (R) Process, FINEX (R) Process, and Coal-Based HYL Process are very promising alternative emerging ironmaking technologies because they are already commercialized, but they have very low adoption rate in the steel industry worldwide. Published by Elsevier Ltd. C1 [Hasanbeigi, Ali; Price, Lynn] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, China Energy Grp,Environm Energy Technol Div, Berkeley, CA 94720 USA. [Arens, Marlene] Fraunhofer Inst Syst & Innovat Res ISI, Karlsruhe, Germany. RP Hasanbeigi, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, China Energy Grp,Environm Energy Technol Div, 1 Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA. EM AHasanbeigi@lbl.gov FU China Sustainable Energy Program of the Energy Foundation through the U.S. Department of Energy [DE-AC02-05CH11231]; Fraunhofer ISI FX This work was supported by the China Sustainable Energy Program of the Energy Foundation through the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. The contribution of Marlene Arens to this paper was funded by Fraunhofer ISI. We are thankful (in no particular order) to Debo Aichbhaumik and Keith Jamison of Energetics, Inc., Isaac Chan of U.S. DOE's Advanced Manufacturing Office, B.V. Lakshminarayana, Joe Vehec, and Peter Pagano of American Iron and Steel Institute, and Wolfgang Eichhammer of Fraunhofer Institute for Systems and Innovation Research for their valuable comments on the earlier version of the paper. We also would like to thank Nan Wishner for editing the paper. NR 39 TC 18 Z9 18 U1 13 U2 58 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 MAY PY 2014 VL 33 BP 645 EP 658 DI 10.1016/j.rser.2014.02.031 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AG4XO UT WOS:000335423900056 ER PT J AU Laurent, B Granier, T Belier, G Chatillon, A Martin, JF Taieb, J Hambsch, FJ Tovesson, F Laptev, AB Haight, RC Nelson, RO O'Donnell, JM AF Laurent, B. Granier, T. Belier, G. Chatillon, A. Martin, J-F Taieb, J. Hambsch, F-J Tovesson, F. Laptev, A. B. Haight, R. C. Nelson, R. O. O'Donnell, J. M. TI A new neutron counter for fission research SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutron induced fission; Neutron counter; He-3 tubes ID SCIENCE AB A new neutron counter for research experiments on nuclear fission has been developed. This instrument is designed for the detection of prompt fission neutrons within relatively high levels of gamma and neutron background. It is composed of a set of He-3 proportional counters arranged within a block of polyethylene which serves as moderator. The detection properties have been studied by means of Monte Carlo simulations and experiments with radioactive sources. These properties are confirmed by an experiment on neutron induced fission of U-238 at the WNR facility of the Los Alamos Neutron Science Center during which the mean prompt fission neutron multiplicity, or (nu) over bar has been measured from 1 to 20 MeV of incident neutron energy. (C) 2014 Elsevier B.V. All rights reserved. C1 [Laurent, B.; Granier, T.; Belier, G.; Chatillon, A.; Martin, J-F; Taieb, J.] CEA, DAM, DIF, F-91297 Arpajon, France. [Hambsch, F-J] EC JRC Inst Reference Mat & Measurements IRMM, B-2440 Geel, Belgium. [Tovesson, F.; Laptev, A. B.; Haight, R. C.; Nelson, R. O.; O'Donnell, J. M.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Laurent, B (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France. EM benoit.laurent@cea.fr RI Laptev, Alexander/D-4686-2009 OI Laptev, Alexander/0000-0002-9759-9907 FU DOE [DE-AC52-06NA25396] FX Portions of this work have been performed under the auspices of the cooperation agreement between CEA/DAM and NNSA/DP on fundamental science. This work has benefited from the use of the LANSCE accelerator facility, supported under DOE contract No. DE-AC52-06NA25396. We are grateful to J. Chevillon and R. Oddou from CEA/DAM/DIF for providing extra 4 bar 3He tubes. NR 25 TC 5 Z9 5 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 1 PY 2014 VL 745 BP 99 EP 105 DI 10.1016/j.nima.2014.01.063 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AE6AS UT WOS:000334071300014 ER PT J AU Guo, ZY Xiao, CX Maligal-Ganesh, RV Zhou, L Goh, TW Li, XL Tesfagaber, D Thiel, A Huang, WY AF Guo, Zhiyong Xiao, Chaoxian Maligal-Ganesh, Raghu V. Zhou, Lin Goh, Tian Wei Li, Xinle Tesfagaber, Daniel Thiel, Andrew Huang, Wenyu TI Pt Nanoclusters Confined within Metal Organic Framework Cavities for Chemoselective Cinnamaldehyde Hydrogenation SO ACS CATALYSIS LA English DT Article DE metal-organic frameworks; nanoclusters; heterogeneous catalysis; chemoselectivity; cinnamaldehyde hydrogenation ID SELECTIVE HYDROGENATION; PARTICLE-SIZE; ALPHA,BETA-UNSATURATED ALDEHYDES; PALLADIUM NANOPARTICLES; CATALYTIC-ACTIVITY; HETEROGENEOUS CATALYSIS; MESOPOROUS SILICA; CARBON NANOTUBES; ARYL CHLORIDES; SUZUKI-MIYAURA AB A highly selective and robust catalyst based on Pt nanoclusters (NCs) confined inside the cavities of an amino-functionalized Zr-terephthalate metal organic framework (MOF), UO-66-NH2 was developed. The Pt NCs are monodisperse and confined in the cavities of UiO-66-NH2 even at 10.7 wt % Pt loading. This confinement was further confirmed by comparing the catalytic performance of Pt NCs confined inside and supported on the external surface of the MOF in the hydrogenation of ethylene, 1-hexene, and 1,3-cyclooctadiene. The benefit of confining Pt NCs inside UiO-66NH(2) was also demonstrated by evaluating their performance in the chemoselective hydrogenation of cinnamaldehyde. We found that both high selectivity to cinnamyl alcohol and high conversion of cinnamaldehyde can be achieved using the MOF-confined Pt nanocluster catalyst, while we could not achieve high cinnamyl alcohol selectivity on Pt NCs supported on the external surface of the MOF. The catalyst can be recycled ten times without any loss in its activity and selectivity. To confirm the stability of the recycled catalysts, we conducted kinetic studies for the first 20 h of reaction during four recycle runs on the catalyst. Both the conversion and selectivity are almost overlapping for the four runs, which indicates the catalyst is very stable under the employed reaction conditions. C1 [Guo, Zhiyong; Xiao, Chaoxian; Maligal-Ganesh, Raghu V.; Goh, Tian Wei; Li, Xinle; Tesfagaber, Daniel; Thiel, Andrew; Huang, Wenyu] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Guo, Zhiyong; Xiao, Chaoxian; Maligal-Ganesh, Raghu V.; Zhou, Lin; Goh, Tian Wei; Li, Xinle; Tesfagaber, Daniel; Huang, Wenyu] US DOE, Ames Lab, Ames, IA 50011 USA. RP Huang, WY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM whuang@iastate.edu RI Guo, Zhiyong/L-5541-2014; Xiao, Chaoxian/E-7339-2013; li, xinle/B-8285-2016; Goh, Tian Wei/G-3463-2016; Huang, Wenyu/L-3784-2014 OI Xiao, Chaoxian/0000-0002-4012-0539; li, xinle/0000-0001-5747-4029; Goh, Tian Wei/0000-0002-4141-3392; Huang, Wenyu/0000-0003-2327-7259 FU Ames Laboratory; Iowa State University; Laboratory Research and Development Program of The Ames Laboratory; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX We thank Ames Laboratory (Royalty Account) and Iowa State University for startup funds. This work was also supported by the Laboratory Research and Development Program of The Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. We thank Gordon J. Miller for use of his XRD, and Igor I. Slowing for use of his gas adsorption analyzer and ICP-AES. NR 58 TC 69 Z9 70 U1 73 U2 363 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD MAY PY 2014 VL 4 IS 5 BP 1340 EP 1348 DI 10.1021/cs400982n PG 9 WC Chemistry, Physical SC Chemistry GA AG5XE UT WOS:000335491200013 ER PT J AU Zhang, L Wang, A Miller, JT Liu, X Yang, X Wang, W Li, L Huang, Y Mou, CY Zhang, T AF Zhang, Leilei Wang, Aiqin Miller, Jeffrey T. Liu, Xiaoyan Yang, Xiaofeng Wang, Wentao Li, Lin Huang, Yanqiang Mou, Chung-Yuan Zhang, Tao TI Efficient and Durable Au Alloyed Pd Single-Atom Catalyst for the Ullmann Reaction of Aryl Chlorides in Water SO ACS CATALYSIS LA English DT Article DE Ullmann reaction; aryl chlorides; heterogeneous catalyst; Au-Pd alloy; Pd single-atom ID HETEROGENEOUS PALLADIUM CATALYSTS; CROSS-COUPLING REACTION; SUZUKI-MIYAURA; AQUEOUS-MEDIA; CO ADSORPTION; NANOPARTICLES; GOLD; CARBON; TEMPERATURE; ACTIVATION AB Ion exchange resin supported Au alloyed Pd single atoms have been explored to serve as an effective and robust catalyst for the Ullmann reaction of aryl halides under mild conditions in aqueous media, in particular for the activation of less reactive aryl chlorides. The catalysts were prepared with an ion exchange-NaBH4 reduction method and submitted to extensive characterizations by HRTEM, XRD, EXAFS, and DRIFTS techniques. XRD patterns demonstrated the formation of Au-Pd alloys. EXAFS and DRIFTS characterization results showed that with an increase of Au/Pd molar ratios, the continuous Pd ensembles on the surface were gradually separated and eventually isolated by Au atoms, confirming that the Au alloyed Pd single-atom catalyst was formed. The catalysts exhibited excellent performance for the Ullmann reaction of aryl chlorides, and the turnover number (TON) increased exponentially with a decrease of the amount of Pd in the catalysts. On the basis of these characterization and catalytic results, the Au alloyed Pd single-atom was proposed as the active site for the reaction. The catalyst exhibited excellent catalytic performance for a broad scope of substrates and could be reused at least 8 times with no change in yield. This Au alloyed Pd single-atom catalyst bridges the gap between homogeneous and heterogeneous catalysis in organic transformations and may open a new vision to develop other efficient single-atom catalysts for green synthesis of fine chemicals. C1 [Zhang, Leilei; Wang, Aiqin; Liu, Xiaoyan; Yang, Xiaofeng; Wang, Wentao; Li, Lin; Huang, Yanqiang; Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. [Zhang, Leilei] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Miller, Jeffrey T.] Argonne Natl Lab, CSE, Argonne, IL 60439 USA. [Mou, Chung-Yuan] Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan. RP Wang, A (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. EM aqwang@dicp.ac.cn; taozhang@dicp.ac.cn RI ID, MRCAT/G-7586-2011; Huang, Yanqiang /C-7983-2016; OI MOU, CHUNG-YUAN/0000-0001-7060-9899 FU National Science Foundation of China [21176235, 21203182, 21202163, 21303194, 21373206, 21173218]; Hundred Talents Program of Dalian Institute of Chemical Physics (DICP); U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences [DE-AC-02-06CH11357]; U.S. Department of Energy, Office of Science; Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT FX We are grateful to the National Science Foundation of China (21176235, 21203182, 21202163, 21303194, 21373206, and 21173218) and Hundred Talents Program of Dalian Institute of Chemical Physics (DICP). J.T.M. was funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences under Contract DE-AC-02-06CH11357. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. We also thank Dr. Jyh-Fu Lee and Dr. Ting shan Chan from BL 17C1 and 01C1 at the National Synchrotron Radiation Research Center, Hsinchu, Taiwan, and the BL 14W at the Shanghai Synchrotron Radiation Facility (SSRF) for the EXAFS experiments. NR 45 TC 36 Z9 37 U1 63 U2 298 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD MAY PY 2014 VL 4 IS 5 BP 1546 EP 1553 DI 10.1021/cs500071c PG 8 WC Chemistry, Physical SC Chemistry GA AG5XE UT WOS:000335491200035 ER PT J AU Alba-Rubio, AC O'Neill, BJ Shi, FY Akatay, C Canlas, C Li, T Winans, R Elam, JW Stach, EA Voyles, PM Dumesic, JA AF Alba-Rubio, Ana C. O'Neill, Brandon J. Shi, Fengyuan Akatay, Cem Canlas, Christian Li, Tao Winans, Randall Elam, Jeffrey W. Stach, Eric A. Voyles, Paul M. Dumesic, James A. TI Pore Structure and Bifunctional Catalyst Activity of Overlayers Applied by Atomic Layer Deposition on Copper Nanoparticles SO ACS CATALYSIS LA English DT Article DE Atomic Layer Deposition; Electron Microscopy; Catalyst Stability; Copper; Bifunctional Catalysis ID METAL-CATALYSTS; STABILIZATION; DEACTIVATION AB We present a model system, based on spherical nonporous supports, to facilitate the characterization of supported metal catalysts stabilized by atomic layer deposition (ALD) against sintering and leaching under liquid-phase conditions. Calcination at high temperatures (973 K) produces pores in the ALD overcoat, and we image these pores using scanning transmission electron microscopy and electron energy loss spectroscopy (STEM/EELS). We determine the size of these pores to be similar to 1 nm using small-angle X-ray scattering (SAXS). Finally, we demonstrate the use of ALD to synthesize novel bifunctional catalysts by the addition of an acidic oxide layer to the stabilizing overcoat. C1 [Alba-Rubio, Ana C.; O'Neill, Brandon J.; Dumesic, James A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Shi, Fengyuan; Voyles, Paul M.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Akatay, Cem] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Canlas, Christian; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Li, Tao; Winans, Randall] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Mat, Upton, NY 11973 USA. RP Dumesic, JA (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM dumesic@engr.wisc.edu RI Stach, Eric/D-8545-2011; li, tao/K-8911-2012; Shi, Fengyuan/Q-2584-2015 OI Stach, Eric/0000-0002-3366-2153; li, tao/0000-0001-5454-1468; Shi, Fengyuan/0000-0001-9769-3824 FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center; U.S. Department of Energy (DOE), Office of Basic Energy Sciences; Center for Functional Nanomaterials, Brookhaven National Laboratory; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. DOE [DE-AC02-06CH11357]; University of Wisconsin Materials Research Science and Engineering Center [DMR-1121288] 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 (DOE), Office of Basic Energy Sciences. C.A. acknowledges additional support from the Center for Functional Nanomaterials, Brookhaven National Laboratory, supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We are thankful for the use of the Advanced Photon Source, an Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory, supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The authors acknowledge use of facilities and instrumentation supported by the University of Wisconsin Materials Research Science and Engineering Center (DMR-1121288). A.C.A.R. thanks Alex Kvit and Li He for help operating the microscope. We also thank Jean Marcel R. Gallo and Canan Sener for synthesis of the spherical silica support. NR 11 TC 20 Z9 20 U1 4 U2 89 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD MAY PY 2014 VL 4 IS 5 BP 1554 EP 1557 DI 10.1021/cs500330p PG 4 WC Chemistry, Physical SC Chemistry GA AG5XE UT WOS:000335491200036 ER PT J AU Berthrong, ST Yeager, CM Gallegos-Graves, L Steven, B Eichorst, SA Jackson, RB Kuske, CR AF Berthrong, Sean T. Yeager, Chris M. Gallegos-Graves, Laverne Steven, Blaire Eichorst, Stephanie A. Jackson, Robert B. Kuske, Cheryl R. TI Nitrogen Fertilization Has a Stronger Effect on Soil Nitrogen-Fixing Bacterial Communities than Elevated Atmospheric CO2 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SYMBIOTIC N-2 FIXATION; WARM-TEMPERATE FOREST; CARBON-DIOXIDE; MICROBIAL COMMUNITIES; ROOT EXUDATION; GENE DIVERSITY; PINE FOREST; NIFH GENES; RHIZOSPHERE; ECOSYSTEM AB Biological nitrogen fixation is the primary supply of N to most ecosystems, yet there is considerable uncertainty about how N-fixing bacteria will respond to global change factors such as increasing atmospheric CO2 and N deposition. Using the nifH gene as a molecular marker, we studied how the community structure of N-fixing soil bacteria from temperate pine, aspen, and sweet gum stands and a brackish tidal marsh responded to multiyear elevated CO2 conditions. We also examined how N availability, specifically, N fertilization, interacted with elevated CO2 to affect these communities in the temperate pine forest. Based on data from Sanger sequencing and quantitative PCR, the soil nifH composition in the three forest systems was dominated by species in the Geobacteraceae and, to a lesser extent, Alphaproteobacteria. The N-fixing-bacterial-community structure was subtly altered after 10 or more years of elevated atmospheric CO2, and the observed shifts differed in each biome. In the pine forest, N fertilization had a stronger effect on nifH community structure than elevated CO2 and suppressed the diversity and abundance of N-fixing bacteria under elevated atmospheric CO2 conditions. These results indicate that N-fixing bacteria have complex, interacting responses that will be important for understanding ecosystem productivity in a changing climate. C1 [Berthrong, Sean T.] Cornell Univ, Dept Hort, Ithaca, NY USA. [Yeager, Chris M.; Gallegos-Graves, Laverne; Steven, Blaire; Eichorst, Stephanie A.; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Jackson, Robert B.] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. EM kuske@lanl.gov RI Eichorst, Stephanie A/A-1079-2017 OI Eichorst, Stephanie A/0000-0002-9017-7461 FU U.S. Department of Energy, Biological and Environmental Research Division, through a Science Focus Area [2009LANLF260]; Department of Energy [DE-FG02-95ER62083]; National Science Foundation [DEB-02-35425]; USDA National Institute of Food and Agriculture; Agriculture and Food Research Initiative [2012-6701219816] FX We are grateful to many people at the four field research sites for access to the field sites and assistance with soil sample collection.; This study was supported by the U.S. Department of Energy, Biological and Environmental Research Division, through a Science Focus Area grant to C.R.K. (2009LANLF260). Sanger sequencing was conducted at Los Alamos National Laboratory by the U. S. DOE Joint Genome Institute. The four field research sites in this study were supported by the U.S. Department of Energy Climate Program. R.B.J. acknowledges support from the Department of Energy (DE-FG02-95ER62083) and the National Science Foundation (DEB-02-35425). S.T.B. was supported by Agriculture and Food Research Initiative competitive grant no. 2012-6701219816 from the USDA National Institute of Food and Agriculture. NR 54 TC 20 Z9 21 U1 11 U2 112 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAY PY 2014 VL 80 IS 10 BP 3103 EP 3112 DI 10.1128/AEM.04034-13 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AG4JQ UT WOS:000335386200017 PM 24610855 ER PT J AU Ju, XH Bowden, M Engelhard, M Zhang, X AF Ju, Xiaohui Bowden, Mark Engelhard, Mark Zhang, Xiao TI Investigating commercial cellulase performances toward specific biomass recalcitrance factors using reference substrates SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Cellulase; Hydrolytic efficiency; Reference substrates; Lignin; Nanocrystalline cellulose; PMOs ID ENZYMATIC-HYDROLYSIS; POLYSACCHARIDE MONOOXYGENASES; LIGNOCELLULOSIC BIOMASS; SURFACE LIGNIN; ENZYMES; FUNGAL; INHIBITION; ETHANOL; EFFICIENCY; DEGRADATION AB Three commercial cellulase preparations, Novozymes Cellic(A (R)) Ctec2, Dupont Accellerase(A (R)) 1500, and DSM Cytolase CL, were evaluated for their hydrolytic activity using a set of reference biomass substrates with controlled substrate characteristics. It was found that lignin remains a significant recalcitrance factor to all the preparations, although different enzyme preparations respond to the inhibitory effect of lignin differently. Also, different types of biomass lignin can inhibit cellulase enzymes in different manners. Enhancing enzyme activity toward biomass fiber swelling is an area significantly contributing to potential improvement in cellulase performance. While the degree of polymerization of cellulose in the reference substrates did not present a major recalcitrance factor to Novozymes Cellic(A (R)) Ctec2, cellulose crystallite has been shown to have a significant lower reactivity toward all enzyme mixtures. The presence of polysaccharide monooxygenases (PMOs) in Novozymes Ctec2 appears to enhance enzyme activity toward decrystallization of cellulose. This study demonstrated that reference substrates with controlled chemical and physical characteristics of structural features can be applied as an effective and practical strategy to identify cellulosic enzyme activities toward specific biomass recalcitrance factor(s) and provide specific targets for enzyme improvement. C1 [Ju, Xiaohui; Zhang, Xiao] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. [Bowden, Mark; Engelhard, Mark] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhang, X (reprint author), Washington State Univ, Voiland Sch Chem Engn & Bioengn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. EM x.zhang@wsu.edu OI Engelhard, Mark/0000-0002-5543-0812 FU National Science Foundation [1067012]; US Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory in Richland, Washington FX Funding for this research was provided by the National Science Foundation (award number 1067012). The X-ray photoelectron spectroscopy and X-ray diffraction research was performed in EMSL, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory in Richland, Washington. We also thank Novozymes North America, DSM, and Dupont for supplying the enzyme preparations. NR 67 TC 6 Z9 6 U1 3 U2 46 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 MAY PY 2014 VL 98 IS 10 BP 4409 EP 4420 DI 10.1007/s00253-013-5450-4 PG 12 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AG5LO UT WOS:000335460700012 PM 24337347 ER PT J AU Wells, GF Wu, CH Piceno, YM Eggleston, B Brodie, EL DeSantis, TZ Andersen, GL Hazen, TC Francis, CA Criddle, CS AF Wells, George F. Wu, Cindy H. Piceno, Yvette M. Eggleston, Brad Brodie, Eoin L. DeSantis, Todd Z. Andersen, Gary L. Hazen, Terry C. Francis, Christopher A. Criddle, Craig S. TI Microbial biogeography across a full-scale wastewater treatment plant transect: evidence for immigration between coupled processes SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Activated sludge; Ammonia-oxidizing bacteria; Immigration; PhyloChip; Sloughing; Trickling filter ID BACTERIAL COMMUNITY DYNAMICS; ACTIVATED-SLUDGE BIOREACTOR; QUANTITATIVE PCR; BIOFILM; AMMONIA; DETACHMENT; ECOLOGY; MODEL; TIME; SIMULATION AB Wastewater treatment plants use a variety of bioreactor types and configurations to remove organic matter and nutrients. Little is known regarding the effects of different configurations and within-plant immigration on microbial community dynamics. Previously, we found that the structure of ammonia-oxidizing bacterial (AOB) communities in a full-scale dispersed growth activated sludge bioreactor correlated strongly with levels of NO2 (-) entering the reactor from an upstream trickling filter. Here, to further examine this puzzling association, we profile within-plant microbial biogeography (spatial variation) and test the hypothesis that substantial microbial immigration occurs along a transect (raw influent, trickling filter biofilm, trickling filter effluent, and activated sludge) at the same full-scale wastewater treatment plant. AOB amoA gene abundance increased > 30-fold between influent and trickling filter effluent concomitant with NO2 (-) production, indicating unexpected growth and activity of AOB within the trickling filter. Nitrosomonas europaea was the dominant AOB phylotype in trickling filter biofilm and effluent, while a distinct "Nitrosomonas-like" lineage dominated in activated sludge. Prior time series indicated that this "Nitrosomonas-like" lineage was dominant when NO2 (-) levels in the trickling filter effluent (i.e., activated sludge influent) were low, while N. europaea became dominant in the activated sludge when NO2 (-) levels were high. This is consistent with the hypothesis that NO2 (-) production may cooccur with biofilm sloughing, releasing N. europaea from the trickling filter into the activated sludge bioreactor. Phylogenetic microarray (PhyloChip) analyses revealed significant spatial variation in taxonomic diversity, including a large excess of methanogens in the trickling filter relative to activated sludge and attenuation of Enterobacteriaceae across the transect, and demonstrated transport of a highly diverse microbial community via the trickling filter effluent to the activated sludge bioreactor. Our results provide compelling evidence that substantial immigration between coupled process units occurs and may exert significant influence over microbial community dynamics within staged bioreactors. C1 [Wells, George F.; Francis, Christopher A.; Criddle, Craig S.] Stanford Univ, Stanford, CA 94305 USA. [Wu, Cindy H.; Piceno, Yvette M.; Brodie, Eoin L.; DeSantis, Todd Z.; Andersen, Gary L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Eggleston, Brad] Palo Alto Reg Water Qual Control Plant, Palo Alto, CA USA. [DeSantis, Todd Z.] Second Genome Inc, San Francisco, CA USA. [Hazen, Terry C.] Univ Tennessee, Knoxville, TN USA. [Hazen, Terry C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Wells, GF (reprint author), Northwestern Univ, Dept Civil & Environm Engn, 2145 Sheridan Rd Tech A318, Evanston, IL 60208 USA. EM george.wells@northwestern.edu RI Wells, George/N-7986-2013; Andersen, Gary/G-2792-2015; Brodie, Eoin/A-7853-2008; Piceno, Yvette/I-6738-2016; Hazen, Terry/C-1076-2012 OI Andersen, Gary/0000-0002-1618-9827; Brodie, Eoin/0000-0002-8453-8435; Piceno, Yvette/0000-0002-7915-4699; Hazen, Terry/0000-0002-2536-9993 FU EPA STAR; NSF; Woods Institute for the Environment at Stanford University; PARWQCP; Office of Biological and Environmental Research of the US DOE [DE-AC02-05CH11231] FX We thank the PARWQCP staff for assisting with transect sampling and operational data monitoring. G. F. W. was supported by EPA STAR and NSF Graduate Research Fellowships. This work was funded by the Woods Institute for the Environment at Stanford University, by the PARWQCP, and by the Office of Biological and Environmental Research of the US DOE under contract no. DE-AC02-05CH11231 to Lawrence Berkeley National Laboratory. NR 35 TC 9 Z9 9 U1 4 U2 51 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 MAY PY 2014 VL 98 IS 10 BP 4723 EP 4736 DI 10.1007/s00253-014-5564-3 PG 14 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AG5LO UT WOS:000335460700039 PM 24553968 ER PT J AU Lovich, JE Gibbons, JW Agha, M AF Lovich, Jeffrey E. Gibbons, J. Whitfield Agha, Mickey TI Does the timing of attainment of maturity influence sexual size dimorphism and adult sex ratio in turtles? SO BIOLOGICAL JOURNAL OF THE LINNEAN SOCIETY LA English DT Article DE bimaturism; selection; Emydidae; environmental sex determination ID RENSCHS RULE; CONTINUOUS CHARACTERS; DIETARY DIVERGENCE; ORDER TESTUDINES; BODY-SIZE; EVOLUTION; PATTERNS; GROWTH; AGE; SNAKES AB The attainment of sexual maturity has been shown to affect measures of sexual size dimorphism (SSD) and adult sex ratios in several groups of vertebrates. Using data for turtles, we tested the model that sex ratios are expected to be male-biased when females are larger than males and female-biased when males are larger than females because of the relationship of each with the attainment of maturity. Our model is based on the premise that the earlier-maturing sex remains smaller, on average throughout life, and predominates numerically unless the sexes are strongly affected by differential mortality, differential emigration, and immigration, or biased primary sex ratios. Based on data for 24 species in seven families, SSD and sex ratios were significantly negatively correlated for most analyses, even after the effect of phylogenetic bias was removed. The analyses provide support for the model that SSD and adult sex ratios are correlated in turtles as a result of simultaneous correlation of each with sexual differences in attainment of maturity (bimaturism). Environmental sex determination provides a possible mechanism for the phenomenon in turtles and some other organisms. (c) 2014 The Authors. Biological Journal of the Linnean Society published by John Wiley & Sons Ltd on behalf of The Linnean Society of London, Biological Journal of the Linnean Society, 2014, 112, 142-149. C1 [Lovich, Jeffrey E.; Agha, Mickey] US Geol Survey, Southwest Biol Sci Ctr, Flagstaff, AZ 86001 USA. [Gibbons, J. Whitfield] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Lovich, JE (reprint author), US Geol Survey, Southwest Biol Sci Ctr, 2255 North Gemini Dr,MS-9394, Flagstaff, AZ 86001 USA. EM jeffrey_lovich@usgs.gov OI Agha, Mickey/0000-0003-0961-8344; Lovich, Jeffrey/0000-0002-7789-2831 FU U.S. Department of Energy [DE-AC09-76SROO-819]; University of Georgia, Savannah River Ecology Laboratory FX Earlier versions of this manuscript benefitted from comments offered by Hal Avery, Bill Boarman, Daphne Fairbairn, Jan Kozlowski, John Oldemeyer, Gordon Rodda, Howard Whiteman, and two anonymous reviewers. Dr Emila P. Martins kindly provided assistance with the COMPARE 4.6b analyses and Bob Thomson assisted with interpretation of his turtle phylogeny. Manuscript preparation was supported by contract number DE-AC09-76SROO-819 between the U.S. Department of Energy and the University of Georgia, Savannah River Ecology Laboratory. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the US Government. JEL and JWG conceived and formulated the idea. JEL developed the methodology. MA generated the phylogenetic contrast analyses. JEL analyzed the data. JEL wrote the manuscript. JWG and MA provided editorial advice. NR 63 TC 8 Z9 10 U1 0 U2 25 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0024-4066 EI 1095-8312 J9 BIOL J LINN SOC JI Biol. J. Linnean Soc. PD MAY PY 2014 VL 112 IS 1 BP 142 EP 149 DI 10.1111/bij.12275 PG 8 WC Evolutionary Biology SC Evolutionary Biology GA AF1HA UT WOS:000334463800012 ER PT J AU Maxfield-Panker, S Goldman, S Cozzarelli, T Lowe, L McCulloch, K Radomski, M Russel, M AF Maxfield-Panker, Stephanie Goldman, Sarah Cozzarelli, Tara Lowe, Lynne McCulloch, Karen Radomski, Mary Russel, Michael TI Educate, train, treat, track: Bringing state-of-the-art care to our military with TBI SO BRAIN INJURY LA English DT Meeting Abstract C1 [Maxfield-Panker, Stephanie; Cozzarelli, Tara; Russel, Michael] US Army Off Surg Gen, Falls Church, VA USA. [Goldman, Sarah] Res Program, Ft Detrick, MD USA. [Lowe, Lynne] Oak Ridge Inst Sci & Educ, Bellcamp, MD USA. [McCulloch, Karen] Univ N Carolina, Chapel Hill, NC USA. [Radomski, Mary] Sister Kenny Res Ctr, Minneapolis, MN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 0269-9052 EI 1362-301X J9 BRAIN INJURY JI Brain Inj. PD MAY PY 2014 VL 28 IS 5-6 MA 0067 BP 536 EP 537 PG 2 WC Neurosciences; Rehabilitation SC Neurosciences & Neurology; Rehabilitation GA AF9EA UT WOS:000335017000055 ER PT J AU Harrison-Felix, C Pretz, C Hammond, FM Cuthbert, J Bell, J Corrigan, J Miller, AC Haarbauer-Krupa, J AF Harrison-Felix, Cynthia Pretz, Christopher Hammond, Flora M. Cuthbert, Jeffrey Bell, Jeneita Corrigan, John Miller, A. Cate Haarbauer-Krupa, Juliet TI Life expectancy following inpatient rehabilitation for traumatic brain injury in the US SO BRAIN INJURY LA English DT Meeting Abstract C1 [Harrison-Felix, Cynthia; Pretz, Christopher; Cuthbert, Jeffrey] Craig Hosp, Englewood, CO USA. [Hammond, Flora M.] Indiana Univ Sch Med, Indianapolis, IN 46202 USA. [Bell, Jeneita; Haarbauer-Krupa, Juliet] CDC, Natl Ctr Injury Prevent & Control, Atlanta, GA 30333 USA. [Corrigan, John] Ohio State Univ, Columbus, OH 43210 USA. [Miller, A. Cate] US DOE, Natl Inst Disabil & Rehabil Res, Washington, DC 20585 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 0269-9052 EI 1362-301X J9 BRAIN INJURY JI Brain Inj. PD MAY PY 2014 VL 28 IS 5-6 MA 0481 BP 693 EP 693 PG 1 WC Neurosciences; Rehabilitation SC Neurosciences & Neurology; Rehabilitation GA AF9EA UT WOS:000335017000430 ER PT J AU Hult, EL Willem, H Sherman, MH AF Hult, Erin L. Willem, Henry Sherman, Max H. TI Formaldehyde transfer in residential energy recovery ventilators SO BUILDING AND ENVIRONMENT LA English DT Article DE Energy recovery ventilator; Formaldehyde; Indoor air quality; Residential ID HEAT-EXCHANGERS; DESICCANT; MEMBRANES; MOISTURE AB The rotary enthalpy wheel design used in many energy recovery ventilators (ERVs) is designed to transfer heat and moisture between supply and exhaust air streams. The wheel, however, can also transfer formaldehyde and other indoor contaminants from the exhaust stream to the supply stream through air leakage, entrainment in the porous wheel, and adsorption/desorption to the filter medium. This contaminant transfer reduces the benefit of the mechanical ventilation provided by the device. Field and chamber experiments were used to quantify the formaldehyde transfer efficacy (the fraction of formaldehyde transferred from the exhaust stream to the supply stream) in a common ERV model under varied conditions. In field experiments, the transfer efficacy was approximately 29%. Chamber tests showed formaldehyde transfer efficacy between 10 and 29%. The bulk of the transfer was due to air leakage and entrainment within the wheel, with up to 30% of the transfer attributed adsorption/ desorption from the filter medium. The transfer efficacy decreased with increasing air exchange rate and supply air temperature. The transfer efficacy increased as the supply and exhaust streams were unbalanced in flow rate. Overall, the air leakage through the device substantially exceeded the product rating of 10%, with 27-28% air leakage measured in field experiments and 12-19% air leakage in chamber experiments. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hult, Erin L.; Willem, Henry; Sherman, Max H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hult, EL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd MS 90R3074, Berkeley, CA 94720 USA. EM elhult@lbl.gov; hwillem@lbl.gov; mhsherman@lbl.gov OI Sherman, Max/0000-0002-5251-8763 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program of the U.S. Department of Energy [DE-ACO205CH11231]; California Energy Commission FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program of the U.S. Department of Energy under Contract No. DE-ACO205CH11231. This report was also supported in part by work sponsored by the California Energy Commission. The authors would also like to thank Doug Sullivan for his role in setting up experiments, calibrating instruments and balancing the system, as well as Sebastian Cohn and Marion Russell for sample preparation and analysis. NR 20 TC 5 Z9 5 U1 0 U2 11 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 MAY PY 2014 VL 75 BP 92 EP 97 DI 10.1016/j.buildenv.2014.01.004 PG 6 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA AG0MY UT WOS:000335110800010 ER PT J AU Chang, W He, Y Wen, LH Li, CL Xue, ZH Song, YK Zhang, R Zhu, ZL Gao, Z Zhang, C Sun, LP Yue, WM Zhang, SH You, ZM AF Chang Wei He Yuan Wen Liang-Hua Li Chun-Long Xue Zong-Heng Song Yu-Kun Zhang Rui Zhu Zheng-Long Gao Zheng Zhang Cong Sun Lie-Peng Yue Wei-Ming Zhang Sheng-Hu You Zhi-Ming CA Thomas Joseph Powers Tom Powers TI A vertical test system for China-ADS project injector II superconducting cavities SO CHINESE PHYSICS C LA English DT Article DE vertical test; superconducting cavity; labview AB To test superconducting cavities, a vertical test system has been designed and set up at the Institute of Modern Physics (IMP). The system design is based on VCO-PLL hardware and the NI Labview software. The test of the HWR010#2 superconducting cavity shows that the function of this test system is satisfactory for testing the low frequency cavity. C1 [Chang Wei; He Yuan; Li Chun-Long; Xue Zong-Heng; Song Yu-Kun; Zhang Rui; Zhu Zheng-Long; Gao Zheng; Zhang Cong; Sun Lie-Peng; Yue Wei-Ming; Zhang Sheng-Hu; You Zhi-Ming] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. [Chang Wei; Gao Zheng] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Wen Liang-Hua] Yibin Univ, Sch Phys & Elect Engn, Yibin 644000, Peoples R China. [Thomas Joseph Powers Tom Powers] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Chang, W (reprint author), Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. EM chang@impcas.ac.cn FU National Natural Science Foundation of China [91026001] FX Supported by National Natural Science Foundation of China (91026001) NR 5 TC 1 Z9 1 U1 0 U2 3 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD MAY PY 2014 VL 38 IS 5 AR 057001 DI 10.1088/1674-1137/38/5/057001 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AG6PP UT WOS:000335541200014 ER PT J AU Addair, TG Dodge, DA Walter, WR Ruppert, SD AF Addair, T. G. Dodge, D. A. Walter, W. R. Ruppert, S. D. TI Large-scale seismic signal analysis with Hadoop SO COMPUTERS & GEOSCIENCES LA English DT Article DE Correlation; Hadoop; MapReduce; Seismology ID CALIFORNIA; RELOCATION; EVENTS; FAULT AB In seismology, waveform cross correlation has been used for years to produce high-precision hypocenter locations and for sensitive detectors. Because correlated seismograms generally are found only at small hypocenter separation distances, correlation detectors have historically been reserved for spotlight purposes. However, many regions have been found to produce large numbers of correlated seismograms, and there is growing interest in building next-generation pipelines that employ correlation as a core part of their operation. In an effort to better understand the distribution and behavior of correlated seismic events, we have cross correlated a global dataset consisting of over 300 million seismograms. This was done using a conventional distributed cluster, and required 42 days. In anticipation of processing much larger datasets, we have re-architected the system to run as a series of MapReduce jobs on a Hadoop cluster. In doing so we achieved a factor of 19 performance increase on a test dataset. We found that fundamental algorithmic transformations were required to achieve the maximum performance increase. Whereas in the original IO-bound implementation, we went to great lengths to minimize IO, in the Hadoop implementation where IO is cheap, we were able to greatly increase the parallelism of our algorithms by performing a tiered series of very fine-grained (highly parallelizable) transformations on the data. Each of these MapReduce jobs required reading and writing large amounts of data. But, because IO is very fast, and because the fine-grained computations could be handled extremely quickly by the mappers, the net was a large performance gain. (C) 2014 The Authors. Published by Elsevier Ltd. C1 [Dodge, D. A.; Walter, W. R.; Ruppert, S. D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Addair, T. G.] Google Inc, Mountain View, CA 94043 USA. RP Dodge, DA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,MS 046, Livermore, CA 94550 USA. EM tgaddair@gmail.com; dodge1@linl.gov; walter5@llnl.gov; ruppert1@llnl.gov RI Walter, William/C-2351-2013 OI Walter, William/0000-0002-0331-0616 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lawrence Livermore National Security, LLC; LLNL [LLNL-JRNL-644626] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC. This is LLNL Contribution LLNL-JRNL-644626. NR 21 TC 10 Z9 10 U1 2 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD MAY PY 2014 VL 66 BP 145 EP 154 DI 10.1016/j.cageo.2014.01.014 PG 10 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AG3CP UT WOS:000335293700013 ER PT J AU Burton, PD King, BH AF Burton, Patrick D. King, Bruce H. TI Spectral Sensitivity of Simulated Photovoltaic Module Soiling for a Variety of Synthesized Soil Types SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Performance evaluation; photovoltaic (PV) systems; soil coatings. standardized test methods; surface contamination ID DUST; REFLECTANCE; HEMATITE; IMPACT; COLOR AB The accumulation of soil on photovoltaic (PV) modules may introduce a spectral loss due to the color profile of the accumulated material. In order to compare the spectral and total losses experienced by a cell, soil analogs were formulated to contain common mineral pigments (Fe2O3 and gothite) with previously developed "standard grime" mixtures. These mixtures simulated a wide range of desert soil colors and were applied to glass test coupons. The light transmission through the deposited film was evaluated by UV/vis/NIR spectroscopy and by placing the coupon over a test cell in a 1-sun simulator and quantum efficiency test stand. Distinct peaks in the 300-600-nm range were observed by UV/vis/NIR spectroscopy corresponding to the Fe2O3 and gothite. Approximately analogous features were noted in the QE measurement. Overall comparisons were made by integrating the response of a soiled coupon relative to a clean reference. Soils rich in red pigments (Fe2O3) caused a greater integrated response than soils rich in yellow pigment (gothite). The yellow soils caused a greater attenuation in a specific region of the spectrum (300-450 nm), which may have significant implications to specific devices, such as multijunction and CdTe technologies. C1 [Burton, Patrick D.; King, Bruce H.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Burton, PD (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM pdburto@sandia.gov; bhking@sandia.gov FU U.S. Department of Energy SunShot Initiative under LPDP [25800]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy SunShot Initiative under LPDP Agreement 25800. 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 20 TC 8 Z9 8 U1 2 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2014 VL 4 IS 3 BP 890 EP 898 DI 10.1109/JPHOTOV.2014.2301895 PG 9 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AG2DO UT WOS:000335226400018 ER PT J AU Perl, EE Lin, CT McMahon, WE Friedman, DJ Bowers, JE AF Perl, Emmett E. Lin, Chieh-Ting McMahon, William E. Friedman, Daniel J. Bowers, John E. TI Ultrabroadband and Wide-Angle Hybrid Antireflection Coatings With Nanostructures SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Biomimetics; optical films; photovoltaic cells; III-V semiconductor materials ID SOLAR-CELLS AB Ultrabroadband and wide-angle antireflection coatings (ARCs) are essential to realizing efficiency gains for state-of-the-art multijunction photovoltaic devices. In this study, we examine a novel design that integrates a nanostructured antireflection layer with a multilayer ARC. Using optical models, we find that this hybrid approach can reduce reflected AM1.5D power by 10-50 W/m(2) over a wide angular range compared to conventional thin-film ARCs. A detailed balance model correlates this to an improvement in absolute cell efficiency of 1-2%. Three different ARC designs are fabricated on indium gallium phosphide, and reflectance is measured to show the benefit of this hybrid approach. C1 [Perl, Emmett E.; Lin, Chieh-Ting; Bowers, John E.] Univ Calif Santa Barbara, Dept Elect & Comp Engn, Santa Barbara, CA 93106 USA. [McMahon, William E.; Friedman, Daniel J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Perl, EE (reprint author), Univ Calif Santa Barbara, Dept Elect & Comp Engn, Santa Barbara, CA 93106 USA. EM emmettperl@ece.ucsb.edu; clin01@umail.ucsb.edu; bill.mcmahon@nrel.gov; daniel.friedman@nrel.gov; bowers@ece.ucsb.edu FU Center for Energy Efficient Materials, which is an Energy Frontier Research Center-U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001009]; National Science Foundation [DGE-1144085] FX This work was supported primarily by the Center for Energy Efficient Materials, which is an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award DE-SC0001009. The work of E. E. Perl was supported by the National Science Foundation Graduate Research Fellowship under Grant DGE-1144085. NR 25 TC 10 Z9 10 U1 2 U2 25 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2014 VL 4 IS 3 BP 962 EP 967 DI 10.1109/JPHOTOV.2014.2304359 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AG2DO UT WOS:000335226400027 ER PT J AU Friedman, DJ Geisz, JF Steiner, MA AF Friedman, Daniel J. Geisz, John F. Steiner, Myles A. TI Effect of Luminescent Coupling on the Optimal Design of Multijunction Solar Cells SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Bandgap optimization; efficiency; luminescent coupling; multijunction solar cells; optical thinning; radiative coupling ID EFFICIENCY AB We analyze the implications of luminescent coupling on multijunction cell design and performance, using a recently developed formalism that uses the measured luminescent coupling parameters as inputs to an analytical model of the full current-voltage (J-V) characteristic of the cell. This calculation of the full J-V curve allows the determination of the cell open-circuit voltage, short-circuit current, fill factor, and efficiency in the presence of luminescent coupling. We show that luminescent coupling affects critical aspects of the cell design that include the optimal junction thicknesses and bandgaps, and affects the dependence of the cell performance on the spectral content of the light illuminating it. C1 [Friedman, Daniel J.; Geisz, John F.; Steiner, Myles A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Friedman, DJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM daniel.friedman@nrel.gov; john.geisz@nrel.gov; myles.steiner@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under Contract DE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 21 TC 25 Z9 25 U1 1 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2014 VL 4 IS 3 BP 986 EP 990 DI 10.1109/JPHOTOV.2014.2308722 PG 5 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AG2DO UT WOS:000335226400031 ER PT J AU Overholt, P Kosterev, D Eto, J Yang, S Lesieutre, B AF Overholt, Philip Kosterev, Dmitry Eto, Joseph Yang, Steve Lesieutre, Bernard TI Improving Reliability Through Better Models SO IEEE POWER & ENERGY MAGAZINE LA English DT Article ID VALIDATION C1 [Overholt, Philip] US DOE, Washington, DC 20585 USA. [Kosterev, Dmitry; Yang, Steve] Bonneville Power Adm, Portland, OR USA. [Eto, Joseph] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lesieutre, Bernard] Univ Wisconsin, Madison, WI 53706 USA. RP Overholt, P (reprint author), US DOE, Washington, DC 20585 USA. NR 8 TC 6 Z9 6 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1540-7977 EI 1558-4216 J9 IEEE POWER ENERGY M JI IEEE Power Energy Mag. PD MAY-JUN PY 2014 VL 12 IS 3 BP 44 EP 51 DI 10.1109/MPE.2014.2301533 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA AG2DJ UT WOS:000335225900007 ER PT J AU Zeng, B Zhang, JH Yang, X Wang, JH Dong, J Zhang, YY AF Zeng, Bo Zhang, Jianhua Yang, Xu Wang, Jianhui Dong, Jun Zhang, Yuying TI Integrated Planning for Transition to Low-Carbon Distribution System With Renewable Energy Generation and Demand Response SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Distribution system planning; low-carbon characteristics; real-time pricing (RTP); renewable distributed generation (RDG); smart metering (SM); uncertainty ID DYNAMIC MULTIOBJECTIVE MODEL; DISTRIBUTION NETWORKS; ELECTRICITY; WIND; MAXIMIZATION; STRATEGIES; EMISSIONS; DESIGN AB This study presents an integrated methodology that considers renewable distributed generation (RDG) and demand responses (DR) as options for planning distribution systems in a transition towards low-carbon sustainability. It is assumed that demand responsiveness is enabled by real-time pricing (RTP), and the problem has been formulated as a dynamic two-stage model. It co-optimizes the allocation of renewables [including wind and solar photovoltaic (PV)], non-renewable DG units (gas turbines) and smart metering (SM) simultaneously with network reinforcement for minimizing the total economic and carbon-emission costs over planning horizons. The behavior compliance to RTP is described through a nodal-based DR model, in which the fading effect attended during the load recovery is highlighted. Besides, uncertainties associated with renewable energy generation and price-responsiveness of customers are also taken into account and represented by multiple probabilistic scenarios. The proposed methodology is implemented by employing an efficient hybrid algorithm and applied to a typical distribution test system. The results demonstrate the effectiveness in improving the efficiency of RDG operations and mitigating CO footprint of distribution systems, when compared with the conventional planning paradigms. C1 [Zeng, Bo; Zhang, Jianhua; Yang, Xu; Zhang, Yuying] North China Elect Power Univ, State Key Lab Alternate Elect Power Syst Renewabl, Beijing 102206, Peoples R China. [Wang, Jianhui] Argonne Natl Lab, Lemont, IL 60439 USA. [Dong, Jun] North China Elect Power Univ, Sch Econ & Management, Beijing 102206, Peoples R China. RP Zeng, B (reprint author), North China Elect Power Univ, State Key Lab Alternate Elect Power Syst Renewabl, Beijing 102206, Peoples R China. EM alosecity@126.com; jhzhang001@163.com; yangxu2008@163.com; jianhui.wang@anl.gov; dongjun624@126.com; zhyuying@126.com FU China National Soft Science Research Program [2012GXS4B064]; Energy Foundation of the U.S. [G-1006-12630] FX This work was supported by the China National Soft Science Research Program (No. 2012GXS4B064) and Energy Foundation of the U.S. (No. G-1006-12630). Paper no. TPWRS-00340-2013. NR 36 TC 31 Z9 35 U1 5 U2 30 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2014 VL 29 IS 3 BP 1153 EP 1165 DI 10.1109/TPWRS.2013.2291553 PG 13 WC Engineering, Electrical & Electronic SC Engineering GA AG4OH UT WOS:000335399100015 ER PT J AU Lee, C Liu, C Mehrotra, S Shahidehpour, M AF Lee, Changhyeok Liu, Cong Mehrotra, Sanjay Shahidehpour, Mohammad TI Modeling Transmission Line Constraints in Two-Stage Robust Unit Commitment Problem SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Load-shift-factor; two-stage robust optimization; unit commitment; wind power ID DEMAND RESPONSE; WIND POWER; OPTIMIZATION; GENERATION AB Integration of renewable energy sources and demand response poses new challenges to system operators as they increase the uncertainty of the power supply and demand. Recently, robust optimization techniques are applied to the unit commitment problem with uncertainty as an alternative to the stochastic programming approaches. However, it remains challenging to solve the robust unit commitment model with full transmission line constraints. In this paper, we propose novel acceleration techniques for solving two-stage robust unit commitment problem with consideration of full transmission line constraints. We use 1) the cutting-plane algorithm for the master problem, which dynamically includes critical transmission line constraints, and 2) column-generation methods, including the branch-and-price-and-cut algorithm and heuristic approaches, for the subproblems, which add only necessary transmission line dual variables on the fly. Computational results for the modified IEEE 118-bus system show that the combination of the cutting-plane algorithm and the heuristic column-generation approach greatly reduces the total solution time of the two-stage robust unit commitment problem. C1 [Lee, Changhyeok; Mehrotra, Sanjay] Northwestern Univ, Dept IEMS, Evanston, IL 60208 USA. [Liu, Cong] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Shahidehpour, Mohammad] IIT, Elect Power & Power Elect Ctr, Elect & Comp Engn Dept, Chicago, IL 60616 USA. RP Lee, C (reprint author), Northwestern Univ, Dept IEMS, Evanston, IL 60208 USA. EM changhyeok.lee@u.northwestern.edu; liuc@anl.gov; mehrotra@iems.northwestern.edu; ms@iit.edu RI Liu, Chang/B-7249-2009; Mehrotra, Sanjay/B-7477-2009 FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Electricity Delivery and Energy; Advanced Scientific Computing Research (ASCR) [DOE-SP0011568] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. This work was supported by the U.S. Department of Energy, Office of Electricity Delivery and Energy, and Advanced Scientific Computing Research (ASCR) DOE-SP0011568. Paper no. TPWRS-00471-2013. NR 22 TC 12 Z9 14 U1 2 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2014 VL 29 IS 3 BP 1221 EP 1231 DI 10.1109/TPWRS.2013.2291498 PG 11 WC Engineering, Electrical & Electronic SC Engineering GA AG4OH UT WOS:000335399100022 ER PT J AU Wang, ZY Wang, JH AF Wang, Zhaoyu Wang, Jianhui TI Review on Implementation and Assessment of Conservation Voltage Reduction SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Conservation voltage reduction (CVR); demand reduction; distribution system; energy saving ID RENEWABLE ENERGY-SOURCES; DISTRIBUTION NETWORKS; LOAD; SYSTEM; PLACEMENT; OPTIMIZATION; STABILITY; ALGORITHM; MODELS; CVR AB Conservation voltage reduction (CVR) is widely adopted by utilities for peak demand reduction and energy savings through reducing the voltage level of the electrical distribution system. This paper presents an in-depth review on implementing and assessing CVR. The methodologies to quantify CVR effects are categorized into comparison-based, regression-based, synthesis-based and simulation-based methods. The implementation strategies for voltage reduction are classified into open-loop and closed-loop methods. The impacts of emerging smart-grid technologies on CVR are also discussed. The paper can provide researchers and utility engineers with further insights into the state of the art, technical barriers and future research directions of CVR technologies. C1 [Wang, Zhaoyu] Georgia Inst Technol, Atlanta, GA 30332 USA. [Wang, Jianhui] Argonne Natl Lab, Lemont, IL 60439 USA. RP Wang, ZY (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. EM zhaoyuwang@gatech.edu; jianhui.wang@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE AC02-06CH11357]; U.S. Department of Energy Office of Electricity Delivery and Energy Reliability's Smart Grid Research and Development program FX Manuscript received June 01, 2013; revised September 06, 2013; accepted October 28, 2013. Date of publication November 20, 2013; date of current version April 16, 2014. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up non-exclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. This work was supported by the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability's Smart Grid Research and Development program. Paper no. TPWRS-00700-2013. NR 73 TC 20 Z9 20 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2014 VL 29 IS 3 BP 1306 EP 1315 DI 10.1109/TPWRS.2013.2288518 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA AG4OH UT WOS:000335399100031 ER PT J AU Du, PW Makarov, Y AF Du, Pengwei Makarov, Yuri TI Using Disturbance Data to Monitor Primary Frequency Response for Power System Interconnections SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Disturbance data; primary frequency response AB Insufficient frequency response can lead to balancing, control performance issues, and even reliability problems. This letter proposes a new method to evaluate the primary frequency response for large power system interconnections. This approach is evaluated using actual disturbance data from the Western Electricity Coordinating Council. C1 [Du, Pengwei; Makarov, Yuri] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Du, PW (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM pengwei.du@pnl.gov FU California Energy Commission (CEC) FX Manuscript received May 08, 2013; accepted October 11, 2013. Date of publication November 12, 2013; date of current version April 16, 2014. This work was supported by the California Energy Commission (CEC). Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle Memorial Institute. Paper no. PESL-0007-2013. NR 4 TC 2 Z9 2 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2014 VL 29 IS 3 BP 1431 EP 1432 DI 10.1109/TPWRS.2013.2288013 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA AG4OH UT WOS:000335399100045 ER PT J AU Guan, YP Wang, JH AF Guan, Yongpei Wang, Jianhui TI Uncertainty Sets for Robust Unit Commitment SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Power system operations; robust unit commitment; stochastic programming; uncertainty set ID OPTIMIZATION AB For robust unit commitment problems addressing load, renewable energy generation, and demand response uncertainties, constructing a proper uncertainty set plays an important role in determining the conservativeness of the model. In this letter, we discuss different approaches to construct uncertainty sets based on historical data, with the purpose of reducing the conservativeness while maintaining the same level of robustness of the solution. C1 [Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Lemont, IL 60439 USA. EM jianhui.wang@anl.gov FU U.S. Department of Energy Office of Electricity Delivery and Energy Reliability FX Manuscript received August 30, 2013; accepted October 10, 2013. Date of publication November 20, 2013; date of current version April 16, 2014. This work was supported by the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability. Paper no. PESL-00121-2013. NR 6 TC 26 Z9 28 U1 4 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2014 VL 29 IS 3 BP 1439 EP 1440 DI 10.1109/TPWRS.2013.2288017 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA AG4OH UT WOS:000335399100049 ER PT J AU Yu, WH France, DM Singh, D Smith, RK Ritter, J Vijlbrief, T Menger, Y AF Yu, Wenhua France, David M. Singh, Dileep Smith, Roger K. Ritter, Jason Vijlbrief, Thomas Menger, Yves TI Subcooled flow boiling of ethylene glycol/water mixtures in a bottom-heated tube SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Ethylene glycol/water mixture; Turbulent flow; Subcooled flow boiling; Boiling curve; Boiling heat transfer coefficient ID THERMAL-CONDUCTIVITY; WATER; VISCOSITY; DENSITY; CHANNEL AB Coolant subcooled boiling in the cylinder head regions of heavy-duty vehicle engines is unavoidable at high thermal loads due to high metal temperatures. However, theoretical and experimental studies of coolant boiling under these specific application conditions are generally lacking. In the present study, subcooled flow boiling heat transfer experiments were performed with water and ethylene glycol/water mixtures at volume ratios of 40/60 and 50/50 in turbulent flow in a specifically designed and fabricated test facility with its experimental test section simulating the heating conditions of the coolant channels in the cylinder head regions of heavy-duty vehicle engines. Boiling curves and subcooled flow boiling heat transfer coefficients for the tested fluids were determined based on the experimental results. Comparisons between the experimental data and the predicted values from existing correlation equations in the engineering literature are presented. (c) 2014 Kenworth Truck Company, DAF Trucks and Elsevier Ltd. All rights reserved. C1 [Yu, Wenhua; France, David M.; Smith, Roger K.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. [Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Ritter, Jason] Kenworth Truck Co, Res Grp, Renton, WA 98057 USA. [Vijlbrief, Thomas] DAF Trucks NV, Engine Definit & Thermodynam, NL-5600 PT Eindhoven, Netherlands. [Menger, Yves] DAF Trucks NV, Comp Aided Engn, NL-5600 PT Eindhoven, Netherlands. RP Yu, WH (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM wyu@anl.gov; dfrance@uic.edu; dsingh@anl.gov; rk.smith@anl.gov; Jason.Ritter@PACCAR.com; Thomas.Vijlbrief@DAFTRUCKS.com; Yves.Menger@DAFTRUCKS.com FU Office of Vehicle Technologies Program of the U.S. Department of Energy at Argonne National Laboratory [DE-AC02-06CH11357] FX This work was sponsored by the Office of Vehicle Technologies Program of the U.S. Department of Energy under contract number DE-AC02-06CH11357 at Argonne National Laboratory, managed by UChicago Argonne LLC. NR 37 TC 6 Z9 6 U1 0 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD MAY PY 2014 VL 72 BP 637 EP 645 DI 10.1016/j.ijheatmasstransfer.2014.01.051 PG 9 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA AF1NV UT WOS:000334481500063 ER PT J AU Malouli, D Hansen, SG Nakayasu, ES Marshall, EE Hughes, CM Ventura, AB Gilbride, RM Lewis, MS Xu, GW Kreklywich, C Whizin, N Fischer, M Legasse, AW Viswanathan, K Siess, D Camp, DG Axthelm, MK Kahl, C DeFilippis, VR Smith, RD Streblow, DN Picker, LJ Fruh, K AF Malouli, Daniel Hansen, Scott G. Nakayasu, Ernesto S. Marshall, Emily E. Hughes, Colette M. Ventura, Abigail B. Gilbride, Roxanne M. Lewis, Matthew S. Xu, Guangwu Kreklywich, Craig Whizin, Nathan Fischer, Miranda Legasse, Alfred W. Viswanathan, Kasinath Siess, Don Camp, David G., II Axthelm, Michael K. Kahl, Christoph DeFilippis, Victor R. Smith, Richard D. Streblow, Daniel N. Picker, Louis J. Frueh, Klaus TI Cytomegalovirus pp65 limits dissemination but is dispensable for persistence SO JOURNAL OF CLINICAL INVESTIGATION LA English DT Article ID STEM-CELL TRANSPLANTATION; CYTOTOXIC T-LYMPHOCYTES; RHESUS CYTOMEGALOVIRUS; MURINE CYTOMEGALOVIRUS; PROTEIN PP65; PHOSPHOPROTEIN PP65; ESCHERICHIA-COLI; HUMAN CMV; KINASE-ACTIVITY; MATRIX PROTEIN AB The most abundantly produced virion protein in human cytomegalovirus (HCMV) is the immunodominant phosphoprotein 65 (pp65), which is frequently included in CMV vaccines. Although it is nonessential for in vitro CMV growth, pp65 displays immunomodulatory functions that support a potential role in primary and/or persistent infection. To determine the contribution of pp65 to CMV infection and immunity, we generated a rhesus CMV lacking both pp65 orthologs (RhCMVApp65ab). While deletion ofpp65ab slightly reduced growth in vitro and increased defective particle formation, the protein composition of secreted virions was largely unchanged. Interestingly, pp65 was not required for primary and persistent infection in animals. Immune responses induced by RhCMVApp65ab did not prevent reinfection with rhesus CMV; however, reinfection with RhCMVAUS2-11, which lacks viral-encoded MHC-I antigen presentation inhibitors, was prevented. Unexpectedly, induction of pp65b-specific T cells alone did not protect against RhCMVAUS2-11 challenge, suggesting that T cells targeting multiple CMV antigens are required for protection. However, pp65-specific immunity was crucial for controlling viral dissemination during primary infection, as indicated by the marked increase of RhCMVApp65ab genome copies in CMV-naive, but not CMV-immune, animals. Our data provide rationale for inclusion of pp65 into CMV vaccines but also demonstrate that pp65-induced T cell responses alone do not recapitulate the protective effect of natural infection. C1 [Malouli, Daniel; Hansen, Scott G.; Marshall, Emily E.; Hughes, Colette M.; Ventura, Abigail B.; Gilbride, Roxanne M.; Lewis, Matthew S.; Xu, Guangwu; Kreklywich, Craig; Whizin, Nathan; Viswanathan, Kasinath; DeFilippis, Victor R.; Streblow, Daniel N.; Picker, Louis J.; Frueh, Klaus] Oregon Hlth & Sci Univ, Vaccine & Gene Therapy Inst, Beaverton, OR 97006 USA. [Nakayasu, Ernesto S.; Camp, David G., II; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Fischer, Miranda; Legasse, Alfred W.; Siess, Don; Axthelm, Michael K.; Kahl, Christoph; Picker, Louis J.; Frueh, Klaus] Oregon Hlth & Sci Univ, ONPRC, Beaverton, OR 97006 USA. RP Picker, LJ (reprint author), Oregon Hlth & Sci Univ, Vaccine & Gene Therapy Inst, 505 NW 185th Ave, Beaverton, OR 97006 USA. EM pickerl@ohsu.edu; fruehk@ohsu.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NIH [RO1 AI070890, RO1 AI070890-03S1, RO1 AI059457, T32 AI078903, RO1 AI09511302]; Bill & Melinda Gates Foundation through Global Health [103312]; National Center for Research Resources; National Center for Research Resources [P510D011092, 5P41RR018522-10]; National Institute of General Medical Sciences [8 P41 GM103493-10]; Department of Energy (DOE); Battelle Memorial Institute [DEACO5-76RL0 1830] FX This work was funded by NIH grants RO1 AI070890, RO1 AI070890-03S1, and RO1 A1059457 to K.Frith and RO1 AI09511302 to L.J. Picker. Further funding came from the Bill & Melinda Gates Foundation through Global Health Proposal no. 103312 to U. Picker. E.E. Marshall was supported as a trainee on an institutional training grant from the NIH (T32 AI078903). This project was also supported by the National Center for Research Resources and the Office of Research Infrastructure Programs of the NIH through grant P510D011092. Portions of this research were supported by grants from the National Center for Research Resources (5P41RR018522-10) and the National Institute of General Medical Sciences (8 P41 GM103493-10) from the NIH (to R.D. Smith). The proteomics experimental work described here was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy (DOE) and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE under contract DEACO5-76RL0 1830. We are grateful to Don Diamond, City of Hope, for providing recombinant MVA and to Peter Barry, UCD, for plasmid vaccines. We would like to acknowledge the help of Dina Alzhanova for growing the MVA constructs, the MVSC for their assistance in isolating DNA from animal tissues, and Michael Denton, Laura Springgay, Sam Purvine, Ron Moore, and Tom Fillmore for their technical assistance. We also would like to thank Teresa Sawyer and the electron microscopy facility at Oregon State University for taking the electron microscope images and Jay Nelson for reagents and help with interpreting the data presented in this publication. NR 80 TC 7 Z9 7 U1 1 U2 5 PU AMER SOC CLINICAL INVESTIGATION INC PI ANN ARBOR PA 35 RESEARCH DR, STE 300, ANN ARBOR, MI 48103 USA SN 0021-9738 EI 1558-8238 J9 J CLIN INVEST JI J. Clin. Invest. PD MAY PY 2014 VL 124 IS 5 BP 1928 EP 1944 DI 10.1172/JCI67420 PG 17 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA AG4XU UT WOS:000335424500010 PM 24691437 ER PT J AU Yu, H Chen, C Ma, JC Xu, XJ Fan, RG Wang, AJ AF Yu, Hao Chen, Chuan Ma, Jincai Xu, Xijun Fan, Ronggui Wang, Aijie TI Microbial community functional structure in response to micro-aerobic conditions in sulfate-reducing sulfur-producing bioreactor SO JOURNAL OF ENVIRONMENTAL SCIENCES LA English DT Article DE micro-aerobic condition; elemental sulfur recovery; microbial community; functional gene array ID RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE GENES; PARACOCCUS-PANTOTROPHUS GB17; BIOLOGICAL SULFIDE OXIDATION; OXIDIZING BACTERIA; SP-NOV.; FLAVOCYTOCHROME-C; ACTIVATED-SLUDGE; GENOME SEQUENCE; BLACK-SEA; OXYGEN AB Limited oxygen supply to anaerobic wastewater treatment systems had been demonstrated as an effective strategy to improve elemental sulfur (S-0) recovery, coupling sulfate reduction and sulfide oxidation. However, little is known about the impact of dissolved oxygen (DO) on the microbial functional structures in these systems. We used a high throughput tool (GeoChip) to evaluate the microbial community structures in a biological desulfurization reactor under micro-aerobic conditions (DO: 0.02-0.33 mg/L). The results indicated that the microbial community functional compositions and structures were dramatically altered with elevated DO levels. The abundances of dsrA/B genes involved in sulfate reduction processes significantly decreased (p < 0.05, LSD test) at relatively high DO concentration (DO: 0.33 mg/L). The abundances of sox and fccA/B genes involved in sulfur/sulfide oxidation processes significantly increased (p < 0.05, LSD test) in low DO concentration conditions (DO: 0.09 mg/L) and then gradually decreased with continuously elevated DO levels. Their abundances coincided with the change of sulfate removal efficiencies and elemental sulfur (S-0) conversion efficiencies in the bioreactor. In addition, the abundance of carbon degradation genes increased with the raising of DO levels, showing that the heterotrophic microorganisms (e.g., fermentative microorganisms) were thriving under micro-aerobic condition. This study provides new insights into the impacts of micro-aerobic conditions on the microbial functional structure of sulfate-reducing sulfur-producing bioreactors, and revealed the potential linkage between functional microbial communities and reactor performance. C1 [Yu, Hao; Chen, Chuan; Xu, Xijun; Wang, Aijie] Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China. [Yu, Hao; Fan, Ronggui] Liaoning Tech Univ, Sch Environm Sci & Engn, Fuxing 123000, Peoples R China. [Ma, Jincai] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94550 USA. [Wang, Aijie] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Beijing 100085, Peoples R China. RP Chen, C (reprint author), Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China. EM micro_yh@126.com; echo110244@126.com; waj0578@hit.edu.cn RI Ma, Jincai/D-1290-2013 OI Ma, Jincai/0000-0002-0792-0251 FU National High-Tech Research and Development Program (863) of China [2011AA060904]; National Natural Science Foundation of China [51111140388, 51176037, 51308147]; National Creative Research Groups Project [51121062]; State Key Laboratory of Urban Water Resource and Environment [2012DX06]; Liaoning Provincial Science and Technology Project [L2010169] FX This work was supported by the National High-Tech Research and Development Program (863) of China (No. 2011AA060904), by the National Natural Science Foundation of China (No. 51111140388, 51176037 and 51308147), the National Creative Research Groups Project (No. 51121062), the State Key Laboratory of Urban Water Resource and Environment (No. 2012DX06), and the Liaoning Provincial Science and Technology Project (No. L2010169). We thank Dr. Jizhong Zhou and Zhili He from the University of Oklahoma for their help in providing hybridization system and GeoChip data statistical analysis. NR 49 TC 6 Z9 8 U1 4 U2 52 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1001-0742 EI 1878-7320 J9 J ENVIRON SCI-CHINA JI J. Environ. Sci. PD MAY 1 PY 2014 VL 26 IS 5 BP 1099 EP 1107 DI 10.1016/S1001-0742(13)60589-6 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA AG5WM UT WOS:000335489400017 PM 25079640 ER PT J AU Odier, P Chen, J Ecke, RE AF Odier, Philippe Chen, Jun Ecke, Robert E. TI Entrainment and mixing in a laboratory model of oceanic overflow SO JOURNAL OF FLUID MECHANICS LA English DT Article DE gravity currents; stratified flows; turbulent mixing ID PARTICLE IMAGE VELOCIMETRY; TURBULENT WALL-JET; LASER-INDUCED FLUORESCENCE; STRATIFIED SHEAR FLOWS; GRAVITY CURRENTS; ROTATING FLUID; SIMULTANEOUS VELOCITY; INTERNAL WAVES; DENMARK STRAIT; NORTH-ATLANTIC AB We present experimental measurements of a wall-bounded gravity current, motivated by characterizing natural gravity currents such as oceanic overflows. We use particle image velocimetry and planar laser-induced fluorescence to simultaneously measure the velocity and density fields as they evolve downstream of the initial injection from a turbulent channel flow onto a plane inclined at 10 degrees with respect to horizontal. The turbulence level of the input flow is controlled by injecting velocity fluctuations upstream of the output nozzle. The initial Reynolds number based on the Taylor microscale of the flow, R-lambda, is varied between 40 and 120, and the effects of the initial turbulence level are assessed. The bulk Richardson number Ri for the flow is similar to 0.3 whereas the gradient Richardson number Ri(g) varies between 0.04 and 0.25, indicating that shear dominates the stabilizing effect of stratification. Kelvin-Helmholtz instability results in vigorous vertical transport of mass and momentum. We present baseline characterization of standard turbulence quantities and calculate, in several different ways, the fluid entrainment coefficient E, a quantity of considerable interest in mixing parameterization for ocean circulation models. We also determine the properties of mixing as represented by the flux Richardson number Ri(f) as a function of Ri(g) and diapycnal mixing parameter K-rho versus the buoyancy Reynolds number Re-b. We find reasonable agreement with results from natural flows. C1 [Odier, Philippe; Chen, Jun; Ecke, Robert E.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. [Odier, Philippe; Chen, Jun; Ecke, Robert E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Chen, Jun] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Odier, Philippe] Ecole Normale Super Lyon, Phys Lab, F-69364 Lyon 07, France. RP Odier, P (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM philippe.odier@ens-lyon.fr FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was carried out under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. The authors thank Michael Rivera for helpful discussions and experimental assistance. We also thank one of the anonymous referees for numerous very useful suggestions. NR 92 TC 7 Z9 7 U1 5 U2 25 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD MAY PY 2014 VL 746 BP 498 EP 535 DI 10.1017/jfm.2014.104 PG 38 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AG4IW UT WOS:000335384200023 ER PT J AU Jeon, S Lee, H Jo, I Shin, D Lee, KS AF Jeon, Seol Lee, Heesoo Jo, Ilguk Shin, Dongwon Lee, Ki-Seuk TI Degradation of TiN Coatings on Inconel 617 and Silicon Wafer Substrates Under Pulsed Laser Ablation SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE crack propagation; diffusion; hardness; pulsed laser ablation; titanium nitride (TiN) ID HARD COATINGS; RESIDUAL-STRESSES; THERMAL FATIGUE; PVD TIN; BEHAVIOR; STEEL; CORROSION; SURFACE; PERFORMANCE; MECHANISMS AB The degradation behavior of TiN coatings on Inconel 617 and silicon (Si) wafer substrates was compared following Nd:YAG pulsed laser ablation to apply thermomechanical stress. Surface cracks and pores were observed on the TiN coating on the Inconel 617 after five pulses, and melting of the coating was occurred over ten pulses. The TiN coating on the Si wafer also showed surface cracks and pores, but there was no surface melting. As the pulses were increased, the surface roughness of the TiN coating on Inconel 617 increased more than the TiN coating on the Si wafer, and interfacial cracking was the dominant degradation behavior on the Si wafer. The hardness of the TiN coating decreased below 50% of its initial value (2200 HK) after five pulses on the Inconel 617, whereas over 70% of the initial value (2400 HK) was maintained on the Si wafer. The TiN coating on Inconel 617 showed diffusion of substrate atoms to the surface, while Si was not found in the TiN coating on the Si wafer even after 25 pulses. It was determined that the decrease in hardness was influenced by the cracking behavior and the diffusion of atoms from the substrate. C1 [Jeon, Seol; Lee, Heesoo] Pusan Natl Univ, Sch Mat Sci & Engn, Pusan 609735, South Korea. [Jo, Ilguk] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Shin, Dongwon] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lee, Ki-Seuk] Pusan Natl Univ, Natl Core Res Ctr Hybrid Mat Solut, Pusan 609735, South Korea. [Lee, Ki-Seuk] Int Cooperat Ctr, Korea Testing Lab, Seoul 152848, South Korea. RP Jeon, S (reprint author), Pusan Natl Univ, Sch Mat Sci & Engn, Pusan 609735, South Korea. EM jeons@pusan.ac.kr; heesoo@pusan.ac.kr; ijo@mymail.mines.edu; shind@ornl.gov; klee72kr@pusan.ac.kr RI Jo, Ilguk/H-2742-2014; Shin, Dongwon/C-6519-2008 OI Shin, Dongwon/0000-0002-5797-3423 FU National Research Foundation of Korea (NRF); Korea government (MSIP) through GCRC-SOP [2011-0030013] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIP) through GCRC-SOP (No. 2011-0030013). NR 24 TC 3 Z9 4 U1 1 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 EI 1544-1024 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD MAY PY 2014 VL 23 IS 5 BP 1651 EP 1655 DI 10.1007/s11665-014-0915-x PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA AG1FQ UT WOS:000335160900023 ER PT J AU Chen, MY Felmy, AR Dixon, DA AF Chen, Mingyang Felmy, Andrew R. Dixon, David A. TI Structures and Stabilities of (MgO)(n) Nanoclusters SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MGO NANOTUBE CLUSTERS; AB-INITIO MICROKINETICS; BAND-GAP ENERGIES; MAGNESIUM-OXIDE; ELECTRONIC-PROPERTIES; OPTICAL PROPERTIES; N2O DECOMPOSITION; GENETIC ALGORITHM; 1ST PRINCIPLES; GROUND-STATES AB Global minima for (MgO)(n) structures were optimized using a tree growth-hybrid genetic algorithm in conjunction with MNDO/MNDO/d semiempirical molecular orbital calculations followed by density functional theory geometry optimizations with the B3LYP functional. New lowest energy isomers were found for a number of (MgO)(n) clusters. The most stable isomers for (MgO)(n) (n > 3) are 3-dimensional. For n < 20, hexagonal tubular (MgO)(n) structures are more favored in energy than the cubic structures. The cubic structures and their variations dominate after n = 20. For the cubic isomers, increasing the size of the cluster in any dimension improves the stability. The effectiveness of increasing the size of the cluster in a specific dimension to improve stability diminishes as the size in that dimension increases. For cubic structures of the same size, the most compact cubic structure is expected to be the more stable cubic structure. The average Mg-O bond distance and coordination number both increase as n increases. The calculated average Mg-O bond distance is 2.055 angstrom at n = 40, slightly smaller than the bulk value of 2.104 angstrom. The average coordination number is predicted to be 4.6 for the lowest energy (MgO)(40) as compared to the bulk value of 6. As n increases, the normalized clustering energy Delta E(n) for the (MgO)(n) increases and the slope of the Delta E(n) vs n curve decreases. The value of Delta E(40) is predicted to be 150 kcal/mol, as compared to the bulk value Delta E(infinity) = 176 kcal/mol. The electronic properties of the clusters are presented and the reactive sites are predicted to be at the corners. C1 [Chen, Mingyang; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Felmy, Andrew R.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Dixon, DA (reprint author), Univ Alabama, Dept Chem, Shelby Hall, Tuscaloosa, AL 35487 USA. EM dadixon@bama.ua.edu FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Geosciences program [DE-SC0009362]; Department of Energy's DOE Office of Biological and Environmental Research; DOE by Battelle Memorial Institute [DE-AC06-76RLO-1830]; University of Alabama FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Geosciences program grant number DE-SC0009362. Some of the computational work was performed at the Molecular Science Computing Facility, William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's DOE Office of Biological and Environmental Research, and located at PNNL. PNNL is operated for DOE by Battelle Memorial Institute under Contract # DE-AC06-76RLO-1830. D.A.D. also thanks the Robert Ramsay Chair Fund of The University of Alabama for support. NR 71 TC 11 Z9 11 U1 5 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 1 PY 2014 VL 118 IS 17 BP 3136 EP 3146 DI 10.1021/jp412820z PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AG5BD UT WOS:000335433200011 PM 24716776 ER PT J AU Wymore, T Field, MJ Langan, P Smith, JC Parks, JM AF Wymore, Troy Field, Martin J. Langan, Paul Smith, Jeremy C. Parks, Jerry M. TI Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds along Two Different Reaction Pathways: Implications for Engineering Bioscavengers SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SENESCENCE MARKER PROTEIN-30; EXTERNAL ELECTRIC-FIELD; EMPIRICAL FORCE-FIELDS; DIISOPROPYL FLUOROPHOSPHATASE; ORGANOPHOSPHORUS COMPOUNDS; LOLIGO-VULGARIS; BASIS-SETS; PENTACOORDINATED PHOSPHORUS; SEMIEMPIRICAL METHODS; CATALYTIC MECHANISM AB Organophosphorus (OP) nerve agents such as (S)-sarin are among the most highly toxic compounds that have been synthesized. Engineering enzymes that catalyze the hydrolysis of nerve agents ("bioscavengers") is an emerging prophylactic approach to diminish their toxic effects. Although its native function is not known, diisopropyl fluorophosphatase (DFPase) from Loligo vulgaris catalyzes the hydrolysis of OP compounds. Here, we investigate the mechanisms of diisopropylfluorophosphate (DFP) and (S)-sarin hydrolysis by DFPase with quantum mechanical/molecular mechanical umbrella sampling simulations. We find that the mechanism for hydrolysis of DFP involves nucleophilic attack by Asp229 on phosphorus to form a pentavalent intermediate. P-F bond dissociation then yields a phosphoacyl enzyme intermediate in the rate-limiting step. The simulations suggest that a water molecule, coordinated to the catalytic Ca2+, donates a proton to Asp121 and then attacks the tetrahedral phosphoacyl intermediate to liberate the diisopropylphosphate product. In contrast, the calculated free energy barrier for hydrolysis of (S)-sarin by the same mechanism is highly unfavorable, primarily because of the instability of the pentavalent phosphoenzyme species. Instead, simulations suggest that hydrolysis of (S)-sarin proceeds by a mechanism in which Asp229 could activate an intervening water molecule for nucleophilic attack on the substrate. These findings may lead to improved strategies for engineering DFPase and related six-bladed beta-propeller folds for more efficient degradation of OP compounds. C1 [Wymore, Troy; Smith, Jeremy C.; Parks, Jerry M.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Biosci Div, Oak Ridge, TN 37831 USA. [Field, Martin J.] Inst Biol Struct Jean Pierre Ebel, F-38027 Grenoble 1, France. [Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Ctr Struct & Mol Biol, Oak Ridge, TN 37831 USA. [Wymore, Troy; Smith, Jeremy C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Wymore, T (reprint author), Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Biosci Div, Oak Ridge, TN 37831 USA. EM wymoretw@ornl.gov; parksjm@ornl.gov RI Parks, Jerry/B-7488-2009; Langan, Paul/N-5237-2015; smith, jeremy/B-7287-2012 OI Parks, Jerry/0000-0002-3103-9333; Langan, Paul/0000-0002-0247-3122; smith, jeremy/0000-0002-2978-3227 FU Laboratory Directed Research and Development Program at Oak Ridge National Laboratory; DOE/NNSA [DE-AC05-00OR22752]; National Institutes of Health [1P41 GM103712-01]; U.S. Department of Energy (DOE) FX This research was sponsored by the Laboratory Directed Research and Development Program at Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE). This work was also supported by DOE/NNSA under contract DE-AC05-00OR22752 and by the National Institutes of Health (1P41 GM103712-01). NR 68 TC 5 Z9 6 U1 4 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD MAY 1 PY 2014 VL 118 IS 17 BP 4479 EP 4489 DI 10.1021/jp410422c PG 11 WC Chemistry, Physical SC Chemistry GA AG5BB UT WOS:000335433000004 PM 24720808 ER PT J AU Pascal, TA Wujcik, KH Velasco-Velez, J Wu, CH Teran, AA Kapilashrami, M Cabana, J Guo, JH Salmeron, M Balsara, N Prendergast, D AF Pascal, Tod A. Wujcik, Kevin H. Velasco-Velez, Juan Wu, Chenghao Teran, Alexander A. Kapilashrami, Mukes Cabana, Jordi Guo, Jinghua Salmeron, Miquel Balsara, Nitash Prendergast, David TI X-ray Absorption Spectra of Dissolved Polysulfides in Lithium-Sulfur Batteries from First-Principles SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID HIGH-CAPACITY; CATHODE; PERFORMANCE; DISCHARGE; DENSITY; CHARGE; CELL; MECHANISMS AB The X-ray absorption spectra (XAS) of lithium polysulfides (Li2Sx) of various chain lengths (x) dissolved in a model solvent are obtained from first-principles calculations. The spectra exhibit two main absorption features near the sulfur K-edge, which are unambiguously interpreted as a pre-edge near 2471 eV due to the terminal sulfur atoms at either end of the linear polysulfide dianions and a main-edge near 2473 eV due to the (x - 2) internal atoms in the chain, except in the case of Li2S2, which only has a low-energy feature. We find an almost linear dependence between the ratio of the peaks and chain length, although the linear dependence is modified by the delocalized, molecular nature of the core-excited states that can span up to six neighboring sulfur atoms. Thus, our results indicate that the ratio of the peak area, and not the peak intensities, should be used when attempting to differentiate the polysulfides from XAS. C1 [Pascal, Tod A.; Prendergast, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Velasco-Velez, Juan; Wu, Chenghao; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wujcik, Kevin H.; Teran, Alexander A.; Cabana, Jordi; Balsara, Nitash] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Kapilashrami, Mukes; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Wujcik, Kevin H.; Teran, Alexander A.; Balsara, Nitash] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Salmeron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. RP Pascal, TA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM tapascal@lbl.gov; dgprendergast@lbl.gov RI Wu, Cheng Hao/C-9565-2014; Cabana, Jordi/G-6548-2012; Foundry, Molecular/G-9968-2014 OI Cabana, Jordi/0000-0002-2353-5986; FU Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231]; Laboratory Directed Research and Development grant at Lawrence Berkeley National Laboratory; 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 [DE-AC02-05CH11231]; Alexander von Humboldt foundation FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program and a Laboratory Directed Research and Development grant at Lawrence Berkeley National Laboratory. Theory and simulations by T.A.P. and D.P. were performed as a user project at the Molecular Foundry, 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. Spectral simulations used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. J.V.V. gratefully acknowledges financial support from the Alexander von Humboldt foundation. NR 35 TC 39 Z9 39 U1 5 U2 85 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD MAY 1 PY 2014 VL 5 IS 9 BP 1547 EP 1551 DI 10.1021/jz500260s PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AG5AZ UT WOS:000335432800008 PM 26270094 ER PT J AU Lounis, SD Runnerstrorm, EL Llordes, A Milliron, DJ AF Lounis, Sebastien D. Runnerstrorm, Evan L. Llordes, Anna Milliron, Delia J. TI Defect Chemistry and Plasmon Physics of Colloidal Metal Oxide Nanocrystals SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID INDIUM-TIN OXIDE; DOPED SEMICONDUCTOR NANOCRYSTALS; DISCRETE-DIPOLE APPROXIMATION; TRANSPARENT CONDUCTING OXIDES; TUNABLE INFRARED-ABSORPTION; OPTICAL-PROPERTIES; ELECTRICAL-PROPERTIES; THIN-FILMS; TIO2 NANOCRYSTALS; NANOPARTICLES AB Plasmonic nanocrystals of highly doped metal oxides have seen rapid development in the past decade and represent a class of materials with unique optoelectronic properties. In this Perspective, we discuss doping mechanisms in metal oxides and the accompanying physics of free carrier scattering, both of which have implications in determining the properties of localized surface plasmon resonances (LSPRs) in these nanocrystals. The balance between activation and compensation of dopants limits the free carrier concentration of the most common metal oxides, placing a ceiling on the LSPR frequency. Furthermore, because of ionized impurity scattering of the oscillating plasma by dopant ions, scattering must be treated in a fundamentally different way in semiconductor metal oxide materials when compared with conventional metals. Though these effects are well-understood in bulk metal oxides, further study is needed to understand their manifestation in nanocrystals and corresponding impact on plasmonic properties, and to develop materials that surpass current limitations in free carrier concentration. C1 [Lounis, Sebastien D.; Runnerstrorm, Evan L.; Llordes, Anna; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Lounis, Sebastien D.] Univ Calif Berkeley, Grad Grp Appl Sci & Technol, Berkeley, CA 94720 USA. [Runnerstrorm, Evan L.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Milliron, Delia J.] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA. RP Milliron, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM milliron@che.utexas.edu RI Milliron, Delia/D-6002-2012; Llordes, Anna/H-2370-2015; Foundry, Molecular/G-9968-2014 OI Llordes, Anna/0000-0003-4169-9156; FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Early Career Research Program grant; ARPA-E FX This work was performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, and was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. S.D.L. and D.J.M. were supported by a DOE Early Career Research Program grant, while E.L.R. and A.L. were supported by ARPA-E, all under the same contract. NR 72 TC 51 Z9 51 U1 7 U2 91 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD MAY 1 PY 2014 VL 5 IS 9 BP 1564 EP 1574 DI 10.1021/jz500440e PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AG5AZ UT WOS:000335432800011 PM 26270097 ER PT J AU Suvorov, A Coburn, DS Cunsolo, A Keister, JW Upton, MH Cai, YQ AF Suvorov, Alexey Coburn, David S. Cunsolo, Alessandro Keister, Jeffrey W. Upton, Mary H. Cai, Yong Q. TI Performance of a collimating L-shaped laterally graded multilayer mirror for the IXS analyzer system at NSLS-II SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE X-ray optics; X-ray multilayer mirrors; laterally graded multilayer mirrors ID RAY-DIFFRACTION EXPERIMENTS; OPTICS; TESTS AB The L-shaped laterally graded multilayer mirror is a vital part of the ultrahigh-energy and momentum-resolution inelastic X-ray scattering spectrometer at the National Synchrotron Light Source II. This mirror was designed and implemented as a two-dimensional collimating optic for the analyzer system. Its performance was characterized using a secondary large-divergence source at the 30-ID beamline of the Advanced Photon Source, which yielded an integrated reflectivity of 47% and a collimated beam divergence of 78 mu rad with a source size of 10 mu m. Numerical simulations of the mirror performance in tandem with the analyzer crystal optics provided details on the acceptance sample volume in forward scattering and defined the technical requirements on the mirror stability and positioning precision. It was shown that the mirror spatial and angular stability must be in the range <8.4 mu m and <21.4 mu rad, respectively, for reliable operation of the analyzer. C1 [Suvorov, Alexey; Coburn, David S.; Cunsolo, Alessandro; Keister, Jeffrey W.; Cai, Yong Q.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Upton, Mary H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Suvorov, A (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. EM asuvorov@bnl.gov RI Cai, Yong/C-5036-2008 OI Cai, Yong/0000-0002-9957-6426 FU US Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886] FX This work was supported by the US Department of Energy, Office of Basic Energy Science, under contract No. DE-AC02-98CH10886. NR 17 TC 3 Z9 3 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 473 EP 478 DI 10.1107/S1600577514002999 PN 3 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900002 PM 24763634 ER PT J AU Alsmadi, AM Alatas, A Zhao, JY Hu, MY Yan, L Alp, EE AF Alsmadi, A. M. Alatas, A. Zhao, J. Y. Hu, M. Y. Yan, L. Alp, E. E. TI Microfocusing options for the inelastic X-ray scattering beamline at sector 3 of the Advanced Photon Source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE inelastic X-ray scattering; microfocusing options; KB mirrors; SHADOW ray tracing ID SYNCHROTRON-RADIATION; RESOLUTION AB Synchrotron radiation from third-generation high-brilliance storage rings is an ideal source for X-ray microbeams. The aim of this paper is to describe a microfocusing scheme that combines both a toroidal mirror and Kirkpatrick-Baez (KB) mirrors for upgrading the existing optical system for inelastic X-ray scattering experiments at sector 3 of the Advanced Photon Source. SHADOW ray-tracing simulations without considering slope errors of both the toroidal mirror and KB mirrors show that this combination can provide a beam size of 4.5 mu m (H) x 0.6 mu m (V) (FWHM) at the end of the existing D-station (66 m from the source) with use of full beam transmission of up to 59%, and a beam size of 3.7 mu m (H) x 0.46 mu m (V) (FWHM) at the front-end of the proposed E-station (68 m from the source) with a transmission of up to 52%. A beam size of about 5 mu m (H) x 1 mu m (V) can be obtained, which is close to the ideal case, by using high-quality mirrors (with slope errors of less than 0.5 mu rad r.m.s.). Considering the slope errors of the existing toroidal and KB mirrors (5 and 2.9 mu rad r. m. s., respectively), the beam size grows to about 13.5 mu m (H) x 6.3 mu m (V) at the end of the D-station and to 12.0 mu(H) x 6.0 mu m (V) at the front-end of the proposed E-station. The simulations presented here are compared with the experimental measurements that are significantly larger than the theoretical values even when slope error is included in the simulations. This is because of the experimental set-up that could not yet be optimized. C1 [Alsmadi, A. M.] Hashemite Univ, Dept Phys, Zarqa 13115, Jordan. [Alsmadi, A. M.] Kuwait Univ, Dept Phys, Safat 13060, Kuwait. [Alsmadi, A. M.; Alatas, A.; Zhao, J. Y.; Hu, M. Y.; Yan, L.; Alp, E. E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Alsmadi, AM (reprint author), Hashemite Univ, Dept Phys, Zarqa 13115, Jordan. EM abdel.alsmadi@gmail.com FU APS; US DOE [DE-AC02-06CH11357] FX We would like to thank the International Atomic Energy Agency (IAEA) for providing Dr A. M. Alsmadi with a supported fellowship to stay at the APS for six months during this project. Scientific discussions we have held with Dr Xianbo Shi and Ruben Reininger are acknowledged. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. NR 24 TC 0 Z9 0 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 488 EP 496 DI 10.1107/S1600577514000940 PN 3 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900005 PM 24763637 ER PT J AU Jonah, EO Harting, M Gullikson, E Aquila, A Britton, DT AF Jonah, Emmanuel O. Haerting, Margit Gullikson, Eric Aquila, Andrew Britton, David T. TI Investigation of surface topology of printed nanoparticle layers using wide-angle low-Q scattering SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE low-Q scattering; soft X-rays; surface structure; nanostructured materials; printed electronics ID X-RAY-SCATTERING; COMPOSITES; TOOL AB A new small-angle scattering technique in reflection geometry is described which enables a topological study of rough surfaces. This is achieved by using long-wavelength soft X-rays which are scattered at wide angles but in the low-Q range normally associated with small-angle scattering. The use of nanometre-wavelength radiation restricts the penetration to a thin surface layer which follows the topology of the surface, while moving the scattered beam to wider angles preventing shadowing by the surface features. The technique is, however, only applicable to rough surfaces for which there is no specular reflection, so that only the scattered beam was detected by the detector. As an example, a study of the surfaces of rough layers of silicon produced by the deposition of nanoparticles by blade-coating is presented. The surfaces of the blade-coated layers have rough features of the order of several micrometers. Using 2 nm and 13 nm X-rays scattered at angular ranges of 5 degrees <= theta <= 51 degrees and 5 degrees <= theta <= 45 degrees, respectively, a combined range of scattering vector of 0.00842 angstrom(-1) <= Q <= 0.4883 angstrom(-1) was obtained. Comparison with previous transmission SAXS and USAXS studies of the same materials indicates that the new method does probe the surface topology rather than the internal microstructure. C1 [Jonah, Emmanuel O.; Haerting, Margit; Britton, David T.] Univ Cape Town, Dept Phys, NanoSci Innovat Ctr, ZA-7701 Rondebosch, South Africa. [Gullikson, Eric] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Aquila, Andrew] European XFEL GmbH, D-22607 Hamburg, Germany. RP Jonah, EO (reprint author), Univ Cape Town, Dept Phys, NanoSci Innovat Ctr, ZA-7701 Rondebosch, South Africa. EM emmanuel.jonah@gmail.com FU NanoPower Africa Project; United States Agency for International Development (USAID) through the Higher Education for Development (HED) office; US Airforce Office of Scientific Research through the project 'Nanoparticle Solutions for Printed Electronic Applications'; University of Cape Town Vice Chancellor's Strategic Fund; South African National Research Foundation (NRF) [FA20064160004]; DST through its business unit the Technology Innovation Agency under Technology Advancement Project [T50055] FX This work was supported in part by the NanoPower Africa Project funded by United States Agency for International Development (USAID) through the Higher Education for Development (HED) office. Additional funding to the UCT NanoSciences Innovation Centre was provided by the US Airforce Office of Scientific Research through the project 'Nanoparticle Solutions for Printed Electronic Applications', by the University of Cape Town Vice Chancellor's Strategic Fund, and by the South African National Research Foundation (NRF) under focus area grant FA20064160004. Additional support for the experiments conducted at ALS was provided by the SA Department of Science and Technology (DST) through its Synchrotron Support Programme administered by the NRF. The development of the printed silicon materials was supported by DST through its business unit the Technology Innovation Agency under Technology Advancement Project T50055. We are grateful to Girma G. Goro, Ntombi Mathe, OluWole D. Solana and Batsirai Magunje for assistance with sample preparation, and to Ayodele Odo and Manfred R. Scriba for assistance with the measurements at ALS. NR 33 TC 0 Z9 0 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 547 EP 553 DI 10.1107/S160057751400410X PN 3 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900012 PM 24763644 ER PT J AU Wang, SW Ward, J Leyffer, S Wild, SM Jacobsen, C Vogt, S AF Wang, Siwei Ward, Jesse Leyffer, Sven Wild, Stefan M. Jacobsen, Chris Vogt, Stefan TI Unsupervised cell identification on multidimensional X-ray fluorescence datasets SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE X-ray fluorescence microscopy (XFM); unsupervised object recognition; cell identification; trace element distributions; modeling overlapping cells ID CLUSTER-ANALYSIS; ACTIVE CONTOURS; SEGMENTATION; IMAGES; SPECTROMICROSCOPY; MICROSCOPY; MICROPROBE; COMPLEX; BIOLOGY; NUCLEI AB A novel approach to locate, identify and refine positions and whole areas of cell structures based on elemental contents measured by X-ray fluorescence microscopy is introduced. It is shown that, by initializing with only a handful of prototypical cell regions, this approach can obtain consistent identification of whole cells, even when cells are overlapping, without training by explicit annotation. It is robust both to different measurements on the same sample and to different initializations. This effort provides a versatile framework to identify targeted cellular structures from datasets too complex for manual analysis, like most X-ray fluorescence microscopy data. Possible future extensions are also discussed. C1 [Wang, Siwei; Leyffer, Sven; Wild, Stefan M.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Ward, Jesse; Jacobsen, Chris; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Jacobsen, Chris] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Jacobsen, Chris] Northwestern Univ, Chem Life Proc Inst, Evanston, IL 60208 USA. RP Wang, SW (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM siweiw@gmail.com RI Jacobsen, Chris/E-2827-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Wild, Stefan/P-4907-2016 OI Jacobsen, Chris/0000-0001-8562-0353; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Wild, Stefan/0000-0002-6099-2772 FU US Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences program [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences program (DE-AC02-06CH11357). We thank Qiaoling Jin and Sophie-Charlotte Gleber for helpful suggestions. We are grateful for comments from the referees, which have helped the presentation. NR 44 TC 4 Z9 4 U1 0 U2 7 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 568 EP 579 DI 10.1107/S1600577514001416 PN 3 PG 12 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900015 PM 24763647 ER PT J AU Chushkin, Y Zontone, F Lima, E De Caro, L Guardia, P Manna, L Giannini, C AF Chushkin, Y. Zontone, F. Lima, E. De Caro, L. Guardia, P. Manna, L. Giannini, C. TI Three-dimensional coherent diffractive imaging on non-periodic specimens at the ESRF beamline ID10 SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE coherent diffraction imaging; phase-retrieval; randomly assembled nanostructures ID PHASE RETRIEVAL; NANOPARTICLE SUPERLATTICES; MONODISPERSE NANOCRYSTALS; RAY; MICROSCOPY; RESOLUTION; NANORODS; CELLS AB The progress of tomographic coherent diffractive imaging with hard X-rays at the ID10 beamline of the European Synchrotron Radiation Facility is presented. The performance of the instrument is demonstrated by imaging a cluster of Fe2P magnetic nanorods at 59 nm 3D resolution by phasing a diffraction volume measured at 8 keV photon energy. The result obtained shows progress in three-dimensional imaging of non-crystalline samples in air with hard X-rays. C1 [Chushkin, Y.; Zontone, F.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Lima, E.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [De Caro, L.; Giannini, C.] Ist Cristallog, I-70126 Bari, Italy. [Guardia, P.; Manna, L.] Ist Italiano Tecnol, I-16163 Genoa, Italy. RP Chushkin, Y (reprint author), European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France. EM chushkin@esrf.fr RI Manna, Liberato/G-2339-2010 OI Manna, Liberato/0000-0003-4386-7985 NR 35 TC 3 Z9 3 U1 3 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 594 EP 599 DI 10.1107/S1600577514003440 PN 3 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900018 PM 24763650 ER PT J AU Heroux, A Allaire, M Buono, R Cowan, ML Dvorak, J Flaks, L LaMarra, S Myers, SF Orville, AM Robinson, HH Roessler, CG Schneider, DK Shea-McCarthy, G Skinner, JM Skinner, M Soares, AS Sweet, RM Berman, LE AF Heroux, Annie Allaire, Marc Buono, Richard Cowan, Matthew L. Dvorak, Joseph Flaks, Leon LaMarra, Steven Myers, Stuart F. Orville, Allen M. Robinson, Howard H. Roessler, Christian G. Schneider, Dieter K. Shea-McCarthy, Grace Skinner, John M. Skinner, Michael Soares, Alexei S. Sweet, Robert M. Berman, Lonny E. TI Macromolecular crystallography beamline X25 at the NSLS SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE beamline; mini-kappa; Pilatus 6M; PXRR; macromolecular crystallography; wBPM ID SYNCHROTRON LIGHT-SOURCE; X-RAY CRYSTALLOGRAPHY; CRYSTALS; SPECTROSCOPY; COLLECTION; UNDULATOR; SYSTEM; X26-C AB Beamline X25 at the NSLS is one of the five beamlines dedicated to macromolecular crystallography operated by the Brookhaven National Laboratory Macromolecular Crystallography Research Resource group. This mini-gap insertion-device beamline has seen constant upgrades for the last seven years in order to achieve mini-beam capability down to 20 mu m x 20 mu m. All major components beginning with the radiation source, and continuing along the beamline and its experimental hutch, have changed to produce a state-of-the-art facility for the scientific community. C1 [Heroux, Annie; Allaire, Marc; Buono, Richard; Cowan, Matthew L.; Dvorak, Joseph; Flaks, Leon; LaMarra, Steven; Myers, Stuart F.; Orville, Allen M.; Robinson, Howard H.; Roessler, Christian G.; Schneider, Dieter K.; Shea-McCarthy, Grace; Skinner, John M.; Skinner, Michael; Soares, Alexei S.; Sweet, Robert M.; Berman, Lonny E.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Berman, LE (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, POB 5000, Upton, NY 11973 USA. EM berman@bnl.gov FU Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy [P41RR012408]; National Center for Research Resources of the National Institutes of Health [P41GM103473] FX The authors would like to acknowledge the efforts of all of the members of the PXRR group and past members, in particular Hal Lewis, Shai Vaday, Anand Saxena and Micheal Becker. Financial support comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy (P41RR012408), and from the National Center for Research Resources of the National Institutes of Health (P41GM103473). NR 23 TC 4 Z9 4 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2014 VL 21 BP 627 EP 632 DI 10.1107/S1600577514003415 PN 3 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AG0YX UT WOS:000335142900022 PM 24763654 ER PT J AU Inagaki, Y Sakamoto, Y Morodomi, H Kawae, T Yoshida, Y Asano, T Hosoi, K Kobayashi, H Kitagawa, H Ajiro, Y Furukawa, Y AF Inagaki, Yuji Sakamoto, Yasutaka Morodomi, Hiroki Kawae, Tatsuya Yoshida, Yasuo Asano, Takayuki Hosoi, Kohei Kobayashi, Hirokazu Kitagawa, Hiroshi Ajiro, Yoshitami Furukawa, Yuji TI Unusual Magnetic Ordering Observed in Nanosized S=1/2 Quantum Spin System (CH3)(2)NH2CuCl3 SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article ID BOSE-EINSTEIN CONDENSATION; LOW-TEMPERATURE; CHAIN SYSTEM; HELIUM AB Specific heat measurements were performed on nanometer-sized particles of an S = 1/2 quantum spin system, DMACuCl(3) [DMA = (CH3)(2)NH2]. A tiny peak was observed at a low temperature of approximately 1.5K at zero magnetic field, in addition to a well-defined and commonly observed peak with the bulk system at approximately 0.8 K. Under magnetic fields, it increased in intensity and coincided with the phase boundary responsible for the field-induced magnetic ordering phase above about 6 T. H-1-NMR studies confirmed that such extra peaks also indicated magnetic ordering. The resultant phase diagram is considerably different from that observed previously in the bulk system. Such a difference may be caused by the presence of extra spins found in a nanosized system by ESR measurements. C1 [Inagaki, Yuji; Sakamoto, Yasutaka; Morodomi, Hiroki; Kawae, Tatsuya] Kyushu Univ, Dept Appl Quantum Phys, Fukuoka 8190395, Japan. [Yoshida, Yasuo] Univ Tokyo, ISSP, Kashiwa, Chiba 2778581, Japan. [Asano, Takayuki] Kyushu Univ, Dept Phys, Fukuoka 8128581, Japan. [Hosoi, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Ajiro, Yoshitami] Kyoto Univ, Dept Chem, Kyoto 6158510, Japan. [Furukawa, Yuji] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Furukawa, Yuji] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Inagaki, Y (reprint author), Kyushu Univ, Dept Appl Quantum Phys, Fukuoka 8190395, Japan. EM inagaki.yuji.318@m.kyushu-u.ac.jp RI U-ID, Kyushu/C-5291-2016; Yoshida, Yasuo/C-3970-2017; Inagaki, Yuji/D-7318-2017 OI Yoshida, Yasuo/0000-0002-7311-555X; Inagaki, Yuji/0000-0002-1014-8733 FU KAKENHI [23540392]; U.S. Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358] FX We thank Professor Y. Ishiwata for the preparation of nanoparticles. This work was partly supported by KAKENHI 23540392. Work at the Ames Laboratory was supported by the U.S. Department of Energy-Basic Energy Sciences under Contact No. DE-AC02-07CH11358. NR 23 TC 1 Z9 1 U1 0 U2 11 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD MAY PY 2014 VL 83 IS 5 AR 054716 DI 10.7566/JPSJ.83.054716 PG 6 WC Physics, Multidisciplinary SC Physics GA AG4SD UT WOS:000335409600007 ER PT J AU Liu, ZF He, CY Zhou, YY Wu, JG AF Liu, Zhifeng He, Chunyang Zhou, Yuyu Wu, Jianguo TI How much of the world's land has been urbanized, really? A hierarchical framework for avoiding confusion SO LANDSCAPE ECOLOGY LA English DT Article DE Urbanization; Global urban land; Urban area; Built-up area; Impervious surface; Hierarchy of definitions ID LANDSCAPE PATTERN-ANALYSIS; COVER; SCALE; RESOLUTION; CITIES; AREAS; SIZE AB Urbanization has transformed the world's landscapes, resulting in a series of ecological and environmental problems. To assess urbanization impacts and improve sustainability, one of the first questions that we must address is: how much of the world's land has been urbanized? Unfortunately, the estimates of the global urban land reported in the literature vary widely from less than 1-3 % primarily because different definitions of urban land were used. To evade confusion, here we propose a hierarchical framework for representing and communicating the spatial extent of the world's urbanized land at the global, regional, and more local levels. The hierarchical framework consists of three spatially nested definitions: "urban area" that is delineated by administrative boundaries, "built-up area" that is dominated by artificial surfaces, and "impervious surface area" that is devoid of life. These are really three different measures of urbanization. In 2010, the global urban land was close to 3 %, the global built-up area was about 0.65 %, and the global impervious surface area was merely 0.45 %, of the word's total land area (excluding Antarctica and Greenland). We argue that this hierarchy of urban land measures, in particular the ratios between them, can also facilitate better understanding the biophysical and socioeconomic processes and impacts of urbanization. C1 [Liu, Zhifeng; He, Chunyang; Wu, Jianguo] Beijing Normal Univ, CHESS, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Zhou, Yuyu] Pacific NW Natl Lab, College Pk, MD 20740 USA. [Wu, Jianguo] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA. [Wu, Jianguo] Arizona State Univ, Sch Sustainabil, Tempe, AZ 85287 USA. RP He, CY (reprint author), Beijing Normal Univ, CHESS, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. EM hcy@bnu.edu.cn FU National Basic Research Program of China [2010CB950901, 2014CB954302, 2014CB954303]; National Natural Science Foundation of China [41222003, 41321001] FX We would like to thank two anonymous reviewers and the handling editor for their valuable comments on the paper. The research was supported by the National Basic Research Program of China (Grant No. 2010CB950901, No. 2014CB954302, and No. 2014CB954303) and the National Natural Science Foundation of China (Grant No. 41222003 and No. 41321001). NR 40 TC 25 Z9 28 U1 11 U2 64 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0921-2973 EI 1572-9761 J9 LANDSCAPE ECOL JI Landsc. Ecol. PD MAY PY 2014 VL 29 IS 5 BP 763 EP 771 DI 10.1007/s10980-014-0034-y PG 9 WC Ecology; Geography, Physical; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Physical Geography; Geology GA AF4NL UT WOS:000334689900001 ER PT J AU Huff, EM Hirata, CM Mandelbaum, R Schlegel, D Seljak, U Lupton, RH AF Huff, Eric M. Hirata, Christopher M. Mandelbaum, Rachel Schlegel, David Seljak, Uros Lupton, Robert H. TI Seeing in the dark - I. Multi-epoch alchemy SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; techniques: image processing; surveys; cosmology: observations ID DIGITAL SKY SURVEY; HUBBLE-SPACE-TELESCOPE; WEAK-LENSING MEASUREMENTS; MATTER POWER SPECTRUM; POINT-SPREAD FUNCTION; LARGE-SCALE STRUCTURE; WIDE-FIELD CAMERA; DATA RELEASE; COSMIC SHEAR; PHOTOMETRIC SYSTEM AB Weak lensing by large-scale structure is an invaluable cosmological tool given that most of the energy density of the concordance cosmology is invisible. Several large ground-based imaging surveys will attempt to measure this effect over the coming decade, but reliable control of the spurious lensing signal introduced by atmospheric turbulence and telescope optics remains a challenging problem. We address this challenge with a demonstration that point spread function (PSF) effects on measured galaxy shapes in the Sloan Digital Sky Survey (SDSS) can be corrected with existing analysis techniques. In this work, we co-add existing SDSS imaging on the equatorial stripe in order to build a data set with the statistical power to measure cosmic shear, while using a rounding kernel method to null out the effects of the anisotropic PSF. We build a galaxy catalogue from the combined imaging, characterize its photometric properties and show that the spurious shear remaining in this catalogue after the PSF correction is negligible compared to the expected cosmic shear signal. We identify a new source of systematic error in the shear-shear autocorrelations arising from selection biases related to masking. Finally, we discuss the circumstances in which this method is expected to be useful for upcoming ground-based surveys that have lensing as one of the science goals, and identify the systematic errors that can reduce its efficacy. C1 [Huff, Eric M.; Seljak, Uros] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Hirata, Christopher M.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Mandelbaum, Rachel; Lupton, Robert H.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Mandelbaum, Rachel] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Schlegel, David; Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Calif Berkeley, Dept Phys, Space Sci Lab, Berkeley, CA 94720 USA. [Seljak, Uros] Ewha Womans Univ, Inst Early Universe, Seoul 120750, South Korea. [Seljak, Uros] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. RP Huff, EM (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM huff.791@osu.edu RI Mandelbaum, Rachel/N-8955-2014 OI Mandelbaum, Rachel/0000-0003-2271-1527 FU US Department of Energy's Office of High Energy Physics [DE-AC02-05CH11231, DE-FG03-02-ER40701, DE-SC0006624]; US National Science Foundation [AST-0807337]; Alfred P. Sloan Foundation; David & Lucile Packard Foundation; NASA [HST-HF-01199.02-A, NAS 5-26555]; Space Telescope Science Institute; DOE; Swiss National Foundation [200021-116696/1]; WCU [R32-10130]; National Science Foundation; US Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; American Museum of Natural History; Astrophysical Institute Potsdam; University of Basel; University of Cambridge; Case Western Reserve University; University of Chicago; Drexel University; Fermilab; Institute for Advanced Study; Japan Participation Group; Johns Hopkins University; Joint Institute for Nuclear Astrophysics; Kavli Institute for Particle Astrophysics and Cosmology; Korean Scientist Group; Chinese Academy of Sciences (LAMOST); Los Alamos National Laboratory; Max-Planck-Institute for Astronomy (MPIA); Max-Planck-Institute for Astrophysics (MPA); New Mexico State University; Ohio State University; University of Pittsburgh; University of Portsmouth; Princeton University; United States Naval Observatory; University of Washington FX EMH is supported by the US Department of Energy's Office of High Energy Physics (DE-AC02-05CH11231). During the period of work on this paper, CH was supported by the US Department of Energy's Office of High Energy Physics (DE-FG03-02-ER40701 and DE-SC0006624), the US National Science Foundation (AST-0807337), the Alfred P. Sloan Foundation and the David & Lucile Packard Foundation. RM was supported for part of the duration of this project by NASA through Hubble Fellowship grant #HST-HF-01199.02-A awarded 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. US is supported by the DOE, the Swiss National Foundation under contract 200021-116696/1 and WCU grant R32-10130.; Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the US Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society and the Higher Education Funding Council for England. The SDSS website is http://www.sdss.org/.; The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions. The Participating Institutions are the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, University of Cambridge, Case Western Reserve University, University of Chicago, Drexel University, Fermilab, the Institute for Advanced Study, the Japan Participation Group, Johns Hopkins University, the Joint Institute for Nuclear Astrophysics, the Kavli Institute for Particle Astrophysics and Cosmology, the Korean Scientist Group, the Chinese Academy of Sciences (LAMOST), Los Alamos National Laboratory, the Max-Planck-Institute for Astronomy (MPIA), the Max-Planck-Institute for Astrophysics (MPA), New Mexico State University, Ohio State University, University of Pittsburgh, University of Portsmouth, Princeton University, the United States Naval Observatory and the University of Washington. NR 83 TC 7 Z9 7 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 2 BP 1296 EP 1321 DI 10.1093/mnras/stu144 PG 26 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5GO UT WOS:000334742200029 ER PT J AU Huff, EM Eifler, T Hirata, CM Mandelbaum, R Schlegel, D Seljak, U AF Huff, Eric M. Eifler, Tim Hirata, Christopher M. Mandelbaum, Rachel Schlegel, David Seljak, Uros TI Seeing in the dark - II. Cosmic shear in the Sloan Digital Sky Survey SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; surveys; cosmology: observations ID WEAK-LENSING SURVEYS; HUBBLE-SPACE-TELESCOPE; PHOTOMETRIC GALAXY SAMPLES; LARGE-SCALE STRUCTURE; REDSHIFT DISTRIBUTION; INTRINSIC CORRELATION; ADVANCED CAMERA; SHAPE MEASUREMENT; FINITE INTERVAL; POWER SPECTRA AB Statistical weak lensing by large-scale structure - cosmic shear - is a promising cosmological tool, which has motivated the design of several large upcoming surveys. Here, we present a measurement of cosmic shear using co-added Sloan Digital Sky Survey (SDSS) imaging in 168 square degrees of the equatorial region, with r < 23.5 and i < 22.5, a source number density of 2.2 per arcmin(2) and mean redshift of z(med) = 0.52. These co-adds were generated using a new method described in the companion Paper I that was intended to minimize systematic errors in the lensing measurement due to coherent point spread function anisotropies that are otherwise prevalent in the SDSS imaging data. We present measurements of cosmic shear out to angular separations of 2 degrees, along with systematics tests that (combined with those from Paper I on the catalogue generation) demonstrate that our results are dominated by statistical rather than systematic errors. Assuming a cosmological model corresponding to Wilkinson Microwave Anisotropy Probe 7(WMAP7) and allowing only the amplitude of matter fluctuations sigma(8) to vary, we find a best-fitting value of sigma(8)=0.636(-0.154)(+0.109) (1 sigma); without systematic errors this would be sigma(8)=0.636(-0.137)(+0.099) (1 sigma). Assuming a flat Lambda cold dark matter model, the combined constraints with WMAP7 are sigma(8)=0.784(-0.026)(+0.028)(1 sigma)(-0.054)(+0.055)(2 sigma) and Omega(m)h(2)=0.1303(-0.0048)(+0.0047)(1 sigma)(-0.009)(+0.009)(2 sigma); the 2 sigma error ranges are, respectively, 14 and 17 per cent smaller than WMAP7 alone. C1 [Huff, Eric M.; Seljak, Uros] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Eifler, Tim] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Hirata, Christopher M.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Mandelbaum, Rachel] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Mandelbaum, Rachel] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Schlegel, David; Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Calif Berkeley, Dept Phys, Space Sci Lab, Berkeley, CA 94720 USA. [Seljak, Uros] Ewha Womans Univ, Inst Early Universe, Seoul, South Korea. [Seljak, Uros] ETH, Inst Theoret Phys, CH-8006 Zurich, Switzerland. RP Huff, EM (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM huff.791@osu.edu RI Mandelbaum, Rachel/N-8955-2014 OI Mandelbaum, Rachel/0000-0003-2271-1527 FU US Department of Energy's Office of High Energy Physics [DE-AC02-05CH11231, DE-FG03-02-ER40701, DE-SC0006624]; US National Science Foundation [AST-0807337]; Alfred P. Sloan Foundation; David & Lucile Packard Foundation; NASA [HST-HF-01199.02-A, NAS 5-26555, 08-ADP08-0019]; Space Telescope Science Institute; DOE; Swiss National Foundation [200021-116696/1]; WCU [R32-10130]; NSF [AST-0607701, 0908246, 0908442, 0908354, 1135622, AST95-09298, AST-0071048, AST-0071198, AST-0507428, AST-0507483]; NASA LTSA [NNG04GC89G]; W. M. Keck Foundation; National Science Foundation; US Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; American Museum of Natural History; Astrophysical Institute Potsdam; University of Basel; University of Cambridge; Case Western Reserve University; University of Chicago; Drexel University; Fermilab; Institute for Advanced Study; Japan Participation Group; Johns Hopkins University; Joint Institute for Nuclear Astrophysics; Kavli Institute for Particle Astrophysics and Cosmology; Korean Scientist Group; Chinese Academy of Sciences (LAMOST); Los Alamos National Laboratory; Max-Planck-Institute for Astronomy (MPIA); Max-Planck-Institute for Astrophysics (MPA); New Mexico State University; Ohio State University; University of Pittsburgh; University of Portsmouth; Princeton University; United States Naval Observatory; University of Washington FX We thank Alexie Leauthaud for providing faint COSMOS galaxy postage-stamp images for simulation purposes. EMH is supported by the US Department of Energy's Office of High Energy Physics (DE-AC02-05CH11231). During the period of work on this paper, CMH was supported by the US Department of Energy's Office of High Energy Physics (DE-FG03-02-ER40701 and DE-SC0006624), the US National Science Foundation (AST-0807337), the Alfred P. Sloan Foundation, and the David & Lucile Packard Foundation. RM was supported for part of the duration of this project by NASA through Hubble Fellowship grant #HST-HF-01199.02-A awarded 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. US is supported by the DOE, the Swiss National Foundation under contract 200021-116696/1 and WCU grant R32-10130.; We thank the PRIMUS team for sharing their redshift catalogue, and thank Alison Coil and John Moustakas for help with using the PRIMUS data set. Funding for PRIMUS has been provided by NSF grants AST-0607701, 0908246, 0908442, 0908354, and NASA grant 08-ADP08-0019. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.; EMH thanks CCAPP for the hospitality during CCAPP Symposium and participants support provided through NSF grant #1135622.; Funding for the DEEP2 survey has been provided by NSF grants AST95-09298, AST-0071048, AST-0071198, AST-0507428, and AST-0507483 as well as NASA LTSA grant NNG04GC89G. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. The DEEP2 team and Keck Observatory acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community and appreciate the opportunity to conduct observations from this mountain.; Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the US Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society, and the Higher Education Funding Council for England. The SDSS website is http://www.sdss.org/.; The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions. The Participating Institutions are the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, University of Cambridge, Case Western Reserve University, University of Chicago, Drexel University, Fermilab, the Institute for Advanced Study, the Japan Participation Group, Johns Hopkins University, the Joint Institute for Nuclear Astrophysics, the Kavli Institute for Particle Astrophysics and Cosmology, the Korean Scientist Group, the Chinese Academy of Sciences (LAMOST), Los Alamos National Laboratory, the Max-Planck-Institute for Astronomy (MPIA), the Max-Planck-Institute for Astrophysics (MPA), New Mexico State University, Ohio State University, University of Pittsburgh, University of Portsmouth, Princeton University, the United States Naval Observatory, and the University of Washington. NR 97 TC 21 Z9 21 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 2 BP 1322 EP 1344 DI 10.1093/mnras/stu145 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5GO UT WOS:000334742200030 ER PT J AU Scalzo, R Aldering, G Antilogus, P Aragon, C Bailey, S Baltay, C Bongard, S Buton, C Cellier-Holzem, F Childress, M Chotard, N Copin, Y Fakhouri, HK Gangler, E Guy, J Kim, AG Kowalski, M Kromer, M Nordin, J Nugent, P Paech, K Pain, R Pecontal, E Pereira, R Perlmutter, S Rabinowitz, D Rigault, M Runge, K Saunders, C Sim, SA Smadja, G Tao, C Taubenberger, S Thomas, RC Weaver, BA AF Scalzo, R. Aldering, G. Antilogus, P. Aragon, C. Bailey, S. Baltay, C. Bongard, S. Buton, C. Cellier-Holzem, F. Childress, M. Chotard, N. Copin, Y. Fakhouri, H. K. Gangler, E. Guy, J. Kim, A. G. Kowalski, M. Kromer, M. Nordin, J. Nugent, P. Paech, K. Pain, R. Pecontal, E. Pereira, R. Perlmutter, S. Rabinowitz, D. Rigault, M. Runge, K. Saunders, C. Sim, S. A. Smadja, G. Tao, C. Taubenberger, S. Thomas, R. C. Weaver, B. A. CA Nearby Supernova Factory TI Type Ia supernova bolometric light curves and ejected mass estimates from the Nearby Supernova Factory SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE supernovae: general; white dwarfs; cosmology: observations; dark energy ID DELAYED-DETONATION MODELS; INTEGRAL-FIELD SPECTROGRAPH; SUB-CHANDRASEKHAR SUPERNOVAE; DARK-ENERGY CONSTRAINTS; WHITE-DWARF MERGERS; VIOLENT MERGERS; CENTRAL DENSITY; LEGACY SURVEY; SN 2011FE; DATA SET AB We present a sample of normal Type Ia supernovae (SNe Ia) from the Nearby Supernova Factory data set with spectrophotometry at sufficiently late phases to estimate the ejected mass using the bolometric light curve. We measure Ni-56 masses from the peak bolometric luminosity, then compare the luminosity in the Co-56-decay tail to the expected rate of radioactive energy release from ejecta of a given mass. We infer the ejected mass in a Bayesian context using a semi-analytic model of the ejecta, incorporating constraints from contemporary numerical models as priors on the density structure and distribution of Ni-56 throughout the ejecta. We find a strong correlation between ejected mass and light-curve decline rate, and consequently Ni-56 mass, with ejected masses in our data ranging from 0.9 to 1.4 M-circle dot. Most fast-declining (salt2 x(1) < -1) normal SNe Ia have significantly sub-Chandrasekhar ejected masses in our fiducial analysis. C1 [Scalzo, R.; Childress, M.; Sim, S. A.] Australian Natl Univ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. [Scalzo, R.; Childress, M.; Pain, R.; Sim, S. A.] Australian Natl Univ, ARC Ctr Excellence All Sky Astrophys CAASTRO, Weston, ACT 2611, Australia. [Aldering, G.; Aragon, C.; Bailey, S.; Kim, A. G.; Nordin, J.; Perlmutter, S.; Runge, K.; Saunders, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Antilogus, P.; Bongard, S.; Cellier-Holzem, F.; Guy, J.; Pain, R.] Univ Paris 07, Univ Paris 06, Lab Phys Nucl & Hautes Energies, CNRS,IN2P3, F-75252 Paris 05, France. [Baltay, C.] Yale Univ, Dept Phys, New Haven, CT 06250 USA. [Buton, C.; Kowalski, M.; Paech, K.; Rabinowitz, D.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Chotard, N.; Copin, Y.; Gangler, E.; Pereira, R.; Rigault, M.; Smadja, G.] Univ Lyon, F-69622 Lyon, France. [Chotard, N.; Copin, Y.; Gangler, E.; Pereira, R.; Rigault, M.; Smadja, G.] Univ Lyon 1, F-69622 Villeurbanne, France. [Chotard, N.; Copin, Y.; Gangler, E.; Pereira, R.; Rigault, M.; Smadja, G.] CNRS, IN2P3, Inst Phys Nucl Lyon, F-75700 Paris, France. [Fakhouri, H. K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kromer, M.; Taubenberger, S.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Nugent, P.; Perlmutter, S.; Thomas, R. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Nugent, P.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Pecontal, E.] Univ Lyon 1, Ctr Rech Astronom Lyon, F-69561 St Genis Laval, France. [Sim, S. A.] Queens Univ Belfast, Sch Math & Phys, Astrophys Res Ctr, Belfast BT7 1NN, Antrim, North Ireland. [Tao, C.] Ctr Phys Particules Marseille, F-13288 Marseille 09, France. [Tao, C.] Tsinghua Univ, Tsinghua Ctr Astrophys, Beijing 100084, Peoples R China. [Weaver, B. A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. RP Scalzo, R (reprint author), Australian Natl Univ, Res Sch Astron & Astrophys, Cotter Rd, Weston, ACT 2611, Australia. EM richard.scalzo@anu.edu.au RI Copin, Yannick/B-4928-2015; Perlmutter, Saul/I-3505-2015; OI Copin, Yannick/0000-0002-5317-7518; Perlmutter, Saul/0000-0002-4436-4661; Scalzo, Richard/0000-0003-3740-1214 FU Office of Science, Office of High Energy Physics, of the US Department of Energy [DE-AC02-05CH11231]; Gordon & Betty Moore Foundation; CNRS/IN2P3; CNRS/INSU; PNC; Australian Research Council Centre of Excellence for All-Sky Astrophysics (CAASTRO) [CE110001020]; ARC Laureate Grant [FL0992131]; Transregional Collaborative Research Center 'The Dark Universe' of the Deutsche Forschungsgemeinschaft [TRR 33]; Henri Chretien International Research Grant; France-Berkeley Fund; Lyon Institute of Origins [ANR-10-LABX-66]; Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [ANI-0087344]; University of California, San Diego FX We are grateful to the technical and scientific staff of the University of Hawaii 2.2-meter telescope, the W. M. Keck Observatory, Lick Observatory, SOAR, and Palomar Observatory, to the QUEST-II collaboration, and to HPWREN for their assistance in obtaining these data. We wish to recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. This work was supported by the Director, Office of Science, Office of High Energy Physics, of the US Department of Energy under Contract no. DE-AC02-05CH11231; by a grant from the Gordon & Betty Moore Foundation; and in France by support from CNRS/IN2P3, CNRS/INSU, and PNC. Parts of this research were conducted by the Australian Research Council Centre of Excellence for All-Sky Astrophysics (CAASTRO), through project number CE110001020. RS acknowledges support from ARC Laureate Grant FL0992131. ST acknowledges support from the Transregional Collaborative Research Center TRR 33 'The Dark Universe' of the Deutsche Forschungsgemeinschaft. YC acknowledges support from a Henri Chretien International Research Grant administrated by the American Astronomical Society, and from the France-Berkeley Fund. NC acknowledges support from the Lyon Institute of Origins under grant ANR-10-LABX-66. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Director, Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy under Contract no. DE-AC02-05CH11231. We thank them for a generous allocation of storage and computing time. HPWREN is funded by National Science Foundation Grant number ANI-0087344, and the University of California, San Diego. We thank Dan Birchall for his assistance in collecting data with SNIFS, and Boaz Katz and Eric Linder for helpful comments on our figures. NR 112 TC 27 Z9 27 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 2 BP 1498 EP 1518 DI 10.1093/mnras/stu350 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5GO UT WOS:000334742200042 ER PT J AU Feng, Y Di Matteo, T Croft, R Khandai, N AF Feng, Yu Di Matteo, Tiziana Croft, Rupert Khandai, Nishikanta TI High-redshift supermassive black holes: accretion through cold flows SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion; accretion discs; hydrodynamics; cosmology: theory ID SMOOTHED PARTICLE HYDRODYNAMICS; DIGITAL SKY SURVEY; ACTIVE GALACTIC NUCLEI; DARK-MATTER HALOES; TO 6 QUASARS; COSMOLOGICAL SIMULATIONS; STAR-FORMATION; Z-GREATER-THAN-5.7 QUASARS; ADDITIONAL QUASARS; GALAXY MERGERS AB We use zoom-in techniques to re-simulate three high-redshift (z >= 5.5) haloes which host 10(9) M-circle dot black holes from the similar to Gpc volume, MassiveBlack cosmological hydrodynamic simulation. We examine a number of factors potentially affecting supermassive black hole growth at high redshift in cosmological simulations. We find insignificant differences in the black hole accretion history by (i) varying the region over which feedback energy is deposited directly, (ii) changing mass resolution by factors of up to 64, (iii) changing the black hole seed mass by a factor of 100. Switching from the density-entropy formulation to the pressure-entropy formulation of smoothed particle hydrodynamics slightly increases the accretion rate. In general numerical details/model parameters appear to have small effects on the main fuelling mechanism for black holes at these high redshifts. The insensitivity to simulation technique seems to be a hallmark of the cold flow feeding picture of these high-z supermassive black holes. We show that the gas that participates in critical accretion phases in these massive objects at z > 6-7 is in all cases colder, denser and forms more coherent streams than the average gas in the halo. This is also mostly the case when the black hole accretion is feedback regulated (z < 6), however, the distinction is less prominent. For our resimulated haloes, cold flows appear to be a viable mechanism for forming the most massive black holes in the early universe, occurring naturally in Lambda cold dark matter models of structure formation, without requiring fine-tuning of numerical parameters. C1 [Feng, Yu; Di Matteo, Tiziana; Croft, Rupert] Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Khandai, Nishikanta] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Feng, Y (reprint author), Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. EM yfeng1@andrew.cmu.edu RI Di Matteo, Tiziana/O-4762-2014; Croft, Rupert/N-8707-2014 OI Di Matteo, Tiziana/0000-0002-6462-5734; Croft, Rupert/0000-0003-0697-2583 FU National Science Foundation (NSF) [OCI-0749212, AST-1009781] FX The resimulations used in this work and the MassiveBlack simulation were run on the Cray XT5 supercomputer Kraken at the National Institute for Computational Sciences. We acknowledge support from Moore foundation which enabled us to perform the data analysis at the McWilliams Center of Cosmology at Carnegie Mellon University. This research has been funded by the National Science Foundation (NSF) PetaApps programme, OCI-0749212 and by NSF AST-1009781. The visualizations were produced using GAEPSI (Feng et al. 2011). NR 82 TC 11 Z9 11 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 2 BP 1865 EP 1879 DI 10.1093/mnras/stu432 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5GO UT WOS:000334742200069 ER PT J AU Mishra, V Chatterjee, U Campuzano, JC Norman, MR AF Mishra, Vivek Chatterjee, U. Campuzano, J. C. Norman, M. R. TI Effect of the pseudogap on the transition temperature in the cuprates and implications for its origin SO NATURE PHYSICS LA English DT Article ID HIGH-T-C; PAIRING INTERACTION; MOTT INSULATOR; COOPER PAIRS; STATE; BI2SR2CACU2O8+DELTA; SUPERCONDUCTORS; DENSITY; MODEL; LINE AB Cuprates possess a large pseudogap that spans much of their phase diagram(1,2). The origin of this pseudogap is as debated as the mechanism for high-temperature superconductivity. In one class of theories, the pseudogap arises from some instability not related to pairing, typically charge, spin or orbital current ordering. Evidence of this has come from a variety of measurements indicating symmetry breaking(3-6). On the other side are theories where the pseudogap is associated with pairing. This ranges from preformed pairs(7) to resonating valence bond theories where spin singlets become charge coherent(8). Here, we study pairing in the cuprates by constructing the pair vertex using spectral functions derived from angle-resolved photoemission data. Assuming that the pseudogap is not due to pairing, we find that the superconducting instability is strongly suppressed, in stark contrast to what is actually observed. We trace this suppression to the destruction of the BCS logarithmic singularity from a combination of the pseudogap and lifetime broadening. Our findings strongly support those theories of the cuprates where the pseudogap is instead due to pairing. C1 [Mishra, Vivek; Campuzano, J. C.; Norman, M. R.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Chatterjee, U.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Campuzano, J. C.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. RP Norman, MR (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM norman@anl.gov RI Norman, Michael/C-3644-2013 FU Centre for Emergent Superconductivity, an Energy Frontier Research Centre - US DOE, Basic Energy Sciences [DE-AC0298CH1088] FX The authors thank D. Scalapino for suggesting this work, and he and A. Chubukov for several helpful discussions. Work at Argonne was supported by the Centre for Emergent Superconductivity, an Energy Frontier Research Centre funded by the US DOE, Basic Energy Sciences, under Award No. DE-AC0298CH1088. NR 27 TC 22 Z9 22 U1 3 U2 31 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD MAY PY 2014 VL 10 IS 5 BP 357 EP 360 DI 10.1038/NPHYS2926 PG 4 WC Physics, Multidisciplinary SC Physics GA AG4ED UT WOS:000335371200013 ER PT J AU Zhang, XW Liu, QH Luo, JW Freeman, AJ Zunger, A AF Zhang, Xiuwen Liu, Qihang Luo, Jun-Wei Freeman, Arthur J. Zunger, Alex TI Hidden spin polarization in inversion-symmetric bulk crystals SO NATURE PHYSICS LA English DT Article ID TOPOLOGICAL INSULATORS; SEMICONDUCTORS; SPINTRONICS; SILICON; PLANE AB Spin-orbit coupling can induce spin polarization in nonmagnetic 3D crystals when the inversion symmetry is broken, as manifested by the bulk Rashba and Dresselhaus effects. We establish that these spin-polarization effects originate fundamentally from specific atomic site asymmetries, rather than, as generally accepted, from the asymmetry of the crystal space group. This understanding leads to the recognition that a previously overlooked hidden form of spin polarization should exist in centrosymmetric crystals. Although all energy bands must be doubly degenerate in centrosymmetric materials, we find that the two components of such doubly degenerate bands could have opposite polarizations, each spatially localized on one of the two separate sectors forming the inversion partners. We demonstrate such hidden spin polarizations in particular centrosymmetric crystals by first-principles calculations. This new understanding could considerably broaden the range of currently useful spintronic materials and enable the control of spin polarization by means of operations on the atomic scale. C1 [Zhang, Xiuwen; Liu, Qihang; Zunger, Alex] Univ Colorado, Boulder, CO 80309 USA. [Zhang, Xiuwen] Colorado Sch Mines, Golden, CO 80401 USA. [Zhang, Xiuwen; Luo, Jun-Wei] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Liu, Qihang; Freeman, Arthur J.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Luo, JW (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jwluo@semi.ac.cn; alex.zunger@colorado.edu RI LUO, JUNWEI/B-6545-2013 FU NSF [DMREF-13-34170]; REMRSEC at the Colorado School of Mines; US Department of Energy, Office of Science; Office of Basic Energy Sciences [DEAC 36-08GO28308] FX A.Z. is grateful to E. Rashba for important discussions on the manuscript and to M. Lahav for discussing the analogy to anti-pyroelectricity (ref. 19). This work was supported by NSF Grant No. DMREF-13-34170. X.Z. also acknowledges the administrative support of REMRSEC at the Colorado School of Mines. J.-W.L. was supported by the Center for Inverse Design, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under award number DEAC 36-08GO28308. NR 29 TC 59 Z9 59 U1 18 U2 97 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD MAY PY 2014 VL 10 IS 5 BP 387 EP 393 DI 10.1038/NPHYS2933 PG 7 WC Physics, Multidisciplinary SC Physics GA AG4ED UT WOS:000335371200018 ER PT J AU Ostman, E Arnalds, UB Melander, E Kapaklis, V Palsson, GK Saw, AY Verschuuren, MA Kronast, F Papaioannou, ET Fadley, CS Hjorvarsson, B AF Ostman, Erik Arnalds, Unnar B. Melander, Emil Kapaklis, Vassilios Palsson, Gunnar K. Saw, Alexander Y. Verschuuren, Marc A. Kronast, Florian Papaioannou, Evangelos Th Fadley, Charles S. Hjorvarsson, Bjorgvin TI Hysteresis-free switching between vortex and collinear magnetic states SO NEW JOURNAL OF PHYSICS LA English DT Article DE magnetic nanostructures; magnetic vortices; thermal fluctuations ID ARTIFICIAL SPIN-ICE; PERMALLOY; ALLOYS AB We demonstrate a lossless switching between vortex and collinear magnetic states in circular FePd disks arranged in a square lattice. Above a bifurcation temperature (T-e)e we show that thermal fluctuations are enough to facilitate flipping between the two distinctly different magnetic states. We find that the temperature dependence of the vortex annihilation and nucleation fields can be described by a simple power law relating them to the saturation magnetization. C1 [Ostman, Erik; Arnalds, Unnar B.; Melander, Emil; Kapaklis, Vassilios; Papaioannou, Evangelos Th; Hjorvarsson, Bjorgvin] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden. [Palsson, Gunnar K.; Saw, Alexander Y.; Fadley, Charles S.] Univ Calif Davis, Dept Phys, Davis, CA 95016 USA. [Palsson, Gunnar K.; Saw, Alexander Y.; Fadley, Charles S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Verschuuren, Marc A.] Philips Res Labs, Eindhoven, Netherlands. [Kronast, Florian] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany. RP Ostman, E (reprint author), Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden. EM erik.ostman@physics.uu.se RI Papaioannou, Evangelos/N-7518-2013; Arnalds, Unnar/L-9315-2015; OI Arnalds, Unnar/0000-0002-5988-917X; Kapaklis, Vassilios/0000-0002-6105-1659; Hjorvarsson, Bjorgvin/0000-0003-1803-9467 FU Knut and Alice Wallenberg Foundation; Swedish Research Council; Swedish Foundation for International Cooperation in Research and Higher Education FX The authors acknowledge the support of the Knut and Alice Wallenberg Foundation, the Swedish Research Council, and the Swedish Foundation for International Cooperation in Research and Higher Education. NR 32 TC 5 Z9 5 U1 3 U2 30 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD MAY 1 PY 2014 VL 16 AR 053002 DI 10.1088/1367-2630/16/5/053002 PG 9 WC Physics, Multidisciplinary SC Physics GA AG4IT UT WOS:000335383800002 ER PT J AU Li, JV Grover, S Contreras, MA Ramanathan, K Kuciauskas, D Noufi, R AF Li, Jian V. Grover, Sachit Contreras, Miguel A. Ramanathan, Kannan Kuciauskas, Darius Noufi, Rommel TI A recombination analysis of Cu(In,Ga)Se-2 solar cells with low and high Ga compositions SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Recombination; CIGS; Interface; Open-circuit voltage; Bandgap ID BAND OFFSET; THIN-FILMS; EFFICIENCY; PROSPECTS AB Separation and quantification of recombination losses in thin-film Cu(In1-x Ga-x)Se-2 solar cells is paramount to understanding the current state-of-the-art and future improvements, but an effective characterization technique has been lacking. We use the recently developed temperature-illumination-dependent open-circuit voltage method to extract individual recombination rates at the buffer/absorber interface, in the space-charge region, and in the quasi-neutral region, as well as the carrier lifetime and surface recombination velocity for devices with low (x=30%) and high (x=84%) Ga absorbers. In the low-Ga absorber, recombination in the quasi-neutral region dominates. In the high-Ga absorber, interface recombination dominates. The open-circuit voltage deficit of the high-Ga device originates from an inadequacy of band bending in the absorber and a lack of strong inversion at the buffer/absorber interface. As two promising mitigating strategies for the open-circuit voltage deficit problem at high-Ga levels, we highlight a homojunction in the absorber or alternative transparent conducting oxides with low work function.(c) 2014 Elsevier B.V. All rights reserved. C1 [Li, Jian V.; Grover, Sachit; Contreras, Miguel A.; Ramanathan, Kannan; Kuciauskas, Darius; Noufi, Rommel] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Li, JV (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jian.li@nrel.gov RI Li, Jian/B-1627-2016 FU U.S. Department of Energy [AC3608G028308] FX The authors thank Dr. Ingrid Repins at the National Renewable Energy Laboratory for her critical review that resulted in substantial improvements to this manuscript. The authors also thank the reviewers for their comments that improved this manuscript. The authors benefited from discussion with Dr. Rafael jaramillo and Riley Brandt at the Massachusetts Institute of Technology, and Wes Miller at the University of Oregon. This research is supported by the U.S. Department of Energy under Contract No. DE-AC3608G028308. NR 24 TC 14 Z9 14 U1 2 U2 68 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 MAY PY 2014 VL 124 BP 143 EP 149 DI 10.1016/j.solmat.2014.01.047 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AG0NA UT WOS:000335111000020 ER PT J AU Nilsson, AM Jonsson, JC Roos, A AF Nilsson, Annica M. Jonsson, Jacob C. Roos, Arne TI Spectrophotometric measurements and ray tracing simulations of mirror light pipes to evaluate the color of the transmitted light SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Mirror light pipe; Spectrophotometry; Color; Ray tracing; Integrating sphere; Dielectric film ID INTEGRATING SPHERE; SAMPLES; DESIGN; ANGLE AB Tubular daylighting systems are designed to guide light to the building's core using a highly reflective pipe. The intensity of the transmitted light is essential for the performance of the system. For the qualitative perception of the provided illumination, the color of the delivered light is also an important aspect. For highly reflective mirror light pipes, spectral variations are generally assumed not to affect the color of the transmitted light. Here, spectrophotometric measurements and ray tracing simulations of mirror light pipes are used to verify this commonly made assumption. The characterization methods employ spectral evaluations for both direct and diffuse incident light. The color properties are evaluated for mirror light pipes with a length to diameter aspect ratio of up to 16, using the CIE chromaticity diagram and CIELAB coordinates. For the xy chromaticity diagram, a larger color shift was noted for different illuminants than as a result of the optical properties of the reflective material. Using the CIELAB coordinates, a small color shift was noted for light incident at low solar altitudes. Overall, highly reflective films with spectral variations of a few percent do not markedly affect the color of the transmitted light. (c) 2014 Elsevier B.V. All rights reserved. C1 [Nilsson, Annica M.; Roos, Arne] Uppsala Univ, Dept Engn Sci, SE-75121 Uppsala, Sweden. [Jonsson, Jacob C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Nilsson, AM (reprint author), Uppsala Univ, Dept Engn Sci, Box 534, SE-75121 Uppsala, Sweden. EM Annica.Nilsson@Angstrom.uu.se FU TracePro. M. Behm and P. Lasses at LDT AB FX The authors would like to thank Lambda Research Corporation for providing a university license for the ray tracing software TracePro. M. Behm and P. Lasses at LDT AB are acknowledged for their support. NR 25 TC 1 Z9 1 U1 0 U2 1 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 MAY PY 2014 VL 124 BP 172 EP 179 DI 10.1016/j.solmat.2014.01.049 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AG0NA UT WOS:000335111000024 ER PT J AU Kametani, F Lee, EG Shen, T Lee, PJ Jiang, J Hellstrom, EE Larbalestier, DC AF Kametani, F. Lee, E. G. Shen, T. Lee, P. J. Jiang, J. Hellstrom, E. E. Larbalestier, D. C. TI An explanation of how split melt processing can enhance the critical current density of Bi2212 round wires based on examination of bubble size and density formed in the melt SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE Bi2212; bubble; superconductors ID MAGNET; TECHNOLOGY; CONDUCTORS; OXYGEN; J(C) AB The recent discovery that gas bubbles formed in the melt state are a major current-limiting mechanism in Bi2Sr2CaCu2Ox (Bi2212) round wires has prompted explicit examination of the bubble density in split melt processed samples which, under optimized 1 bar processing conditions, can exhibit significant (30-50%) enhancement of critical current density, J(c). By examining quenched and furnace-cooled samples from different points in the split melt processing (SMP), we found that the bubble size correlates well to the J(c). Compared with standard processed samples, the bubble size is smaller in SMP samples which are cooled directly to room temperature by an intermediate cooling from the first melt before being reheated to the second melt. Bubble size and density observations suggest that J(c) can only be increased when bubble growth in the second melt is prevented by very tight control of the reheat temperature. Smaller bubble size is favorable for J(c) because filament connectivity is determined by the effectiveness of bubble bridging by Bi2212 grain growth on cooling from the second melt. Because SMP appears to allow higher J(c) by shrinking bubble size rather than by diminishing the bubble volume fraction, we conclude that SMP is unlikely to offer benefits to newer processes like over-pressure processing which raise J(c) much more significantly by full Bi2212 densification and bubble elimination. C1 [Kametani, F.; Lee, E. G.; Lee, P. J.; Jiang, J.; Hellstrom, E. E.; Larbalestier, D. C.] Florida State Univ, Ctr Appl Superconduct, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Shen, T.] Fermilab Natl Accelerator Lab, Superconducting Mat Dept, Tech Div, Batavia, IL 60510 USA. RP Kametani, F (reprint author), Florida State Univ, Ctr Appl Superconduct, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM kametani@asc.magnet.fsu.edu RI Larbalestier, David/B-2277-2008; Jiang, Jianyi/F-2549-2017; OI Larbalestier, David/0000-0001-7098-7208; Jiang, Jianyi/0000-0002-1094-2013; Lee, Peter/0000-0002-8849-8995 FU US Department of Energy (DOE) Office of High Energy Physics [DE-SC0010421]; National High Magnetic Field Laboratory; National Science Foundation [NSF/DMR-1157490]; State of Florida FX This work was supported by the US Department of Energy (DOE) Office of High Energy Physics under grant number DE-SC0010421, by the National High Magnetic Field Laboratory (which is supported by the National Science Foundation under NSF/DMR-1157490), and by the State of Florida. NR 29 TC 9 Z9 9 U1 1 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD MAY PY 2014 VL 27 IS 5 AR 055004 DI 10.1088/0953-2048/27/5/055004 PG 8 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AG4JG UT WOS:000335385200004 ER PT J AU Ding, J Cheng, YQ Ma, E AF Ding, Jun Cheng, Yong-Qiang Ma, Evan TI Full icosahedra dominate local order in Cu64Zr34 metallic glass and supercooled liquid SO ACTA MATERIALIA LA English DT Article DE Metallic glasses; Supercooled liquids; Full icosahedra; Cu-Zr ID STRUCTURAL MODEL; ATOMIC PACKING; ALLOYS; FRUSTRATION; SIMULATION AB Extensive molecular dynamics simulations were carried out to monitor the development of icosahedral order in Cu64Zr34 liquid and metallic glass (MG). This study illustrates that at this Cu-rich Cu-Zr alloy composition, Cu-centered full icosahedra constitute the dominant and characteristic short-range-ordered coordination motif. The results for this model liquid/glass address five questions regarding the ordering of Cu-centered coordination polyhedral towards full icosahedra, including: (i) its evolution and extent during prolonged structural relaxation; (ii) the resulting reduction in potential energy and slowing-down of dynamics; (iii) the accompanying preference of a particular type of Zr-centered Kasper coordination polyhedra; (iv) the evolution and conversion of polyhedral connection schemes in the medium range; and (v) the formation and percolation of networks formed by interpenetrating connection of icosahedra to constitute a stiff backbone over extended range. Five related issues are also clarified, to: (i) differentiate full-icosahedra-based ordering from the generally favorable fivefold bonds; (ii) compare the Cu-based perspective with a Zr-centric view; (iii) systematically list the rationales behind focusing on icosahedral order for explaining the Cu64Zr34 MG/liquid properties; (iv) discuss other non-icosahedral ordering varieties; and (v) comment on the most liquid-like local environments. Taken together, the ten issues addressed set the stage for understanding structure property relations in a category of amorphous alloys that can be characterized based on full-icosahedral ordering. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Ding, Jun; Ma, Evan] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. [Cheng, Yong-Qiang] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Ma, E (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM ema@jhu.edu RI Ma, En/A-3232-2010; Cheng, Yongqiang/F-6567-2010; Ding, Jun/K-1989-2012 OI Ding, Jun/0000-0002-4091-8663 FU Office of Basic Energy Sciences, US Department of Energy [DE-FG02-09ER46056]; Scientific User Facilities Division FX This work was supported by the Office of Basic Energy Sciences, US Department of Energy (J.D. and E.M. by the Division of Materials Sciences and Engineering, under Contract No. DE-FG02-09ER46056, and Y.Q.C. by the Scientific User Facilities Division). NR 57 TC 65 Z9 65 U1 20 U2 113 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD MAY PY 2014 VL 69 BP 343 EP 354 DI 10.1016/j.actamat.2014.02.005 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AG0MQ UT WOS:000335110000032 ER PT J AU Moulton, EA Elman, I Becerra, LR Goldstein, RZ Borsook, D AF Moulton, Eric A. Elman, Igor Becerra, Lino R. Goldstein, Rita Z. Borsook, David TI The cerebellum and addiction: insights gained from neuroimaging research SO ADDICTION BIOLOGY LA English DT Review DE opioids; PET.; craving; cocaine; MRI; Alcohol; marijuana ID POSITRON-EMISSION-TOMOGRAPHY; CEREBRAL-BLOOD-FLOW; GRAY-MATTER VOLUME; INTRINSIC FUNCTIONAL CONNECTIVITY; COGNITIVE-AFFECTIVE SYNDROME; BRAIN GLUCOSE-METABOLISM; HEAVY CANNABIS USERS; PREFRONTAL CORTEX; MARIJUANA USERS; DRUG-ADDICTION AB Although cerebellar alterations have been consistently noted in the addiction literature, the pathophysiology of this link remains unclear. The cerebellum is commonly classified as a motor structure, but human functional neuroimaging along with clinical observations in cerebellar stroke patients and anatomical tract tracing in non-human primates suggests its involvement in cognitive and affective processing. A comprehensive literature search on the role of the cerebellum in addiction was performed. This review article (1) considers the potential role of the cerebellum in addiction; (2) summarizes the cerebellar structural alterations linked to addiction; (3) presents the functional neuroimaging evidence linking the cerebellum with addiction; and (4) proposes a model for addiction that underscores the role of the cerebellum. The data implicate the cerebellum as an intermediary between motor and reward, motivation and cognitive control systems, as all are relevant etiologic factors in addiction. Furthermore, consideration of these findings could contribute to deeper and more sophisticated insights into normal reward and motivational function. The goal of this review is to spread awareness of cerebellar involvement in addictive processes, and to suggest a preliminary model for its potential role. C1 [Moulton, Eric A.; Becerra, Lino R.; Borsook, David] Harvard Univ, Massachusetts Gen Hosp, Sch Med, PAIN Grp,Ctr Pain & Brain,Boston Childrens Hosp,M, Boston, MA USA. [Elman, Igor] Providence Vet Adm Med Ctr, Providence, RI USA. [Elman, Igor] Harvard Univ, Sch Med, Dept Psychiat, Cambridge Hlth Alliance, Cambridge, MA 02138 USA. [Goldstein, Rita Z.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Moulton, EA (reprint author), Boston Childrens Hosp, PAIN Grp, 9 Hope Ave, Waltham, MA 02453 USA. EM eric.moulton@childrens.harvard.edu FU National Institutes of Health (National Institute on Drug Abuse) [K01DA024289, R01DA023579, R21DA034954]; National Institutes of Health (National Institute of Neurological Disorders and Stroke) [K24NS064050] FX This work was supported by the National Institutes of Health (National Institute on Drug Abuse Grant K01DA024289 to E. A. M.; National Institute of Neurological Disorders and Stroke Grant K24NS064050 to D. B.; National Institute on Drug Abuse Grants R01DA023579 and R21DA034954 to R.Z.G.). NR 109 TC 18 Z9 18 U1 3 U2 25 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1355-6215 EI 1369-1600 J9 ADDICT BIOL JI Addict. Biol. PD MAY PY 2014 VL 19 IS 3 BP 317 EP 331 DI 10.1111/adb.12101 PG 15 WC Biochemistry & Molecular Biology; Substance Abuse SC Biochemistry & Molecular Biology; Substance Abuse GA AF3FS UT WOS:000334597500001 PM 24851284 ER PT J AU Patel, SM Gunn, JP Tong, X Cogswell, ME AF Patel, Sheena M. Gunn, Janelle P. Tong, Xin Cogswell, Mary E. TI Consumer Sentiment on Actions Reducing Sodium in Processed and Restaurant Foods, ConsumerStyles 2010 SO AMERICAN JOURNAL OF PREVENTIVE MEDICINE LA English DT Article ID PUBLIC-HEALTH; DISEASE; POLICY AB Background: Current recommendations target sodium reduction in the food supply and intake; however, information is limited on consumer readiness for these actions. Purpose: Prevalence and determinants of consumer agreement for government restriction of manufacturers and restaurants putting excess salt in food and support for policies limiting sodium content of quick service restaurant (QSR) foods were examined. Methods: Data were analyzed from 9,579 adults aged >= 18 years who responded to consumer readiness for sodium reduction questions in the 2010 ConsumerStyles survey. Responses were collapsed into three categories. Consumer agreement was determined and logistic regression was used to estimate ORs. Analyses were conducted in 2012. Results: The majority of consumers agree that it is a good idea for government to restrict food manufacturers (55.9%) from putting excess salt in foods. About half agreed that it is a good idea for government to restrict restaurants from putting excess salt in foods and 81.5% supported sodium reduction policies in QSRs. Odds of agreementsupport were higher for non-Hispanic blacks compared with non-Hispanic whites, and those with incomes <$40,000 compared with >=$60,000. Those reporting "neutral" or "yes" to wanting to eat a diet low in sodium were more likely to agree/ support government action compared to those answering "no." Conclusions: Nearly half of consumers agree with government actions to reduce sodium in manufactured and restaurant foods, with even greater support for QSRs. These findings could inform industry and public health partners about consumer preferences to lower the sodium content of the food supply. (C) 2014 American Journal of Preventive Medicine. All rights reserved. C1 [Patel, Sheena M.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Patel, Sheena M.; Gunn, Janelle P.; Tong, Xin; Cogswell, Mary E.] CDC, Div Heart Dis & Stroke Prevent, Atlanta, GA 30333 USA. RP Patel, SM (reprint author), 4770 Buford Highway,NE,Mailstop F-72, Atlanta, GA 30341 USA. EM isp7@cdc.gov FU Research Participation Program for the CDC FX This project was supported by an appointment to the Research Participation Program for the CDC administered by the Oak Ridge Institute for Science and Education through an agreement between the Department of Energy and the CDC. No financial disclosures were reported by the authors of this paper. NR 21 TC 1 Z9 1 U1 2 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0749-3797 EI 1873-2607 J9 AM J PREV MED JI Am. J. Prev. Med. PD MAY PY 2014 VL 46 IS 5 BP 516 EP 524 DI 10.1016/j.amepre.2013.12.012 PG 9 WC Public, Environmental & Occupational Health; Medicine, General & Internal SC Public, Environmental & Occupational Health; General & Internal Medicine GA AF5QQ UT WOS:000334768400012 PM 24745642 ER PT J AU Laurens, LML Van Wychen, S McAllister, JP Arrowsmith, S Dempster, TA McGowen, J Pienkos, PT AF Laurens, Lieve M. L. Van Wychen, Stefanie McAllister, Jordan P. Arrowsmith, Sarah Dempster, Thomas A. McGowen, John Pienkos, Philip T. TI Strain, biochemistry, and cultivation-dependent measurement variability of algal biomass composition SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE Biochemical composition; Carbohydrates; Lipids; Proteins; Microalgae; Analytical methods ID ACID PROTEIN ASSAY; BICINCHONINIC ACID; CELL-WALL; MICROALGAE; CHLOROPHYCEAE; INTERFERENCE; CARBOHYDRATE; SUBSTANCES AB Accurate compositional analysis in biofuel feedstocks is imperative; the yields of individual components can define the economics of an entire process. In the nascent industry of algal biofuels and bioproducts, analytical methods that have been deemed acceptable for decades are suddenly critical for commercialization. We tackled the question of how the strain and biochemical makeup of algal cells affect chemical measurements. We selected a set of six procedures (two each for lipids, protein, and carbohydrates): three rapid fingerprinting methods and three advanced chromatography-based methods. All methods were used to measure the composition of 100 samples from three strains: Scenedesmus sp., Chlorella sp., and Nannochloropsis sp. The data presented point not only to species-specific discrepancies but also to cell biochemistry-related discrepancies. There are cases where two respective methods agree but the differences are often significant with over-or underestimation of up to 90%, likely due to chemical interferences with the rapid spectrophotometric measurements. We provide background on the chemistry of interfering reactions for the fingerprinting methods and conclude that for accurate compositional analysis of algae and process and mass balance closure, emphasis should be placed on unambiguous characterization using methods where individual components are measured independently. (C) 2014 Elsevier Inc. All rights reserved. C1 [Laurens, Lieve M. L.; Van Wychen, Stefanie; Pienkos, Philip T.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [McAllister, Jordan P.; Arrowsmith, Sarah; Dempster, Thomas A.; McGowen, John] Arizona State Univ, Arizona Ctr Algae Technol & Innovat, Mesa, AZ 85212 USA. RP Laurens, LML (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM lieve.laurens@nrel.gov FU U.S. Department of Energy [DE-AC36-08-G028308]; National Renewable Energy Laboratory as part of the BioEnergy Technology Office (BETO); Department of Energy (DOE) [DE-EE0003372] FX This work was supported by the U.S. Department of Energy under contract DE-AC36-08-G028308 with the National Renewable Energy Laboratory jointly as part of the BioEnergy Technology Office (BETO) under task 9.6.1.8 and the Sustainable Algal Biofuels Consortium project, funded under Department of Energy (DOE) award DE-EE0003372. NR 30 TC 11 Z9 11 U1 5 U2 53 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 EI 1096-0309 J9 ANAL BIOCHEM JI Anal. Biochem. PD MAY 1 PY 2014 VL 452 BP 86 EP 95 DI 10.1016/j.ab.2014.02.009 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AF8UE UT WOS:000334990300014 PM 24556245 ER PT J AU Cao, L Tolic, N Qu, Y Meng, D Zhao, R Zhang, QB Moore, RJ Zink, EM Lipton, MS Paga-Tolic, L Wu, S AF Cao, Li Tolic, Nikola Qu, Yi Meng, Da Zhao, Rui Zhang, Qibin Moore, Ronald J. Zink, Erika M. Lipton, Mary S. Paga-Tolic, Ljiljana Wu, Si TI Characterization of intact N- and O-linked glycopeptides using higher energy collisional dissociation SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE Glycosylation; Glycopeptides; LC-MS/MS; HCD; NCE; Automated identification ID HYDROPHILIC-INTERACTION CHROMATOGRAPHY; C-TRAP DISSOCIATION; MASS-SPECTROMETRY; GLYCOSYLATION SITES; HYDRAZIDE CHEMISTRY; GLYCOPROTEINS; IDENTIFICATION; ENRICHMENT; CELLS; SECRETOME AB Simultaneous elucidation of the glycan structure and the glycosylation site are needed to reveal the biological function of protein glycosylation. In this study, we employed a recent type of fragmentation termed higher energy collisional dissociation (HCD) to examine fragmentation patterns of intact glycopeptides generated from a mixture of standard glycosylated proteins. The normalized collisional energy (NCE) value for HCD was varied from 30 to 60% to evaluate the optimal conditions for the fragmentation of peptide backbones and glycoconjugates. Our results indicated that HCD with lower NCE values preferentially fragmented the sugar chains attached to the peptides to generate a ladder of neutral loss of monosaccharides, thereby enabling the putative glycan structure characterization. In addition, detection of the oxonium ions enabled unambiguous differentiation of glycopeptides from non-glycopeptides. In contrast, HCD with higher NCE values preferentially fragmented the peptide backbone and, thus, provided information needed for confident peptide identification. We evaluated the HCD approach with alternating NCE parameters for confident characterization of intact N-and O-linked glycopeptides in a single liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. In addition, we applied a novel data analysis pipeline, so-called GlycoFinder, to form a basis for automated data analysis. Overall, 38 unique intact glycopeptides corresponding to eight glycosylation sites (six N-linked and two O-linked sites) were confidently identified from a standard protein mixture. This approach provided concurrent characterization of both the peptide and the glycan, thereby enabling comprehensive structural characterization of glycoproteins in a single LC-MS/MS analysis. (C) 2013 Elsevier Inc. All rights reserved. C1 [Cao, Li; Qu, Yi; Zhang, Qibin; Moore, Ronald J.; Zink, Erika M.; Lipton, Mary S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Tolic, Nikola; Zhao, Rui; Paga-Tolic, Ljiljana; Wu, Si] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Meng, Da] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Wu, S (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM si.wu@pnnl.gov RI Lipton, Mary/H-3913-2012 FU Environmental Molecular Science Laboratory (EMSL) intramural research projects; EMSL capability development projects; U.S. Department of Energy (DOE); Office of Biological and Environmental Research; National Institutes of Health's National Center for Research Resources [RR018522]; Department of Energy Office of Biological and Environmental Research Genome Sciences Program FX This work was supported by funds from Environmental Molecular Science Laboratory (EMSL) intramural research projects and EMSL capability development projects, the U.S. Department of Energy (DOE) Office of Biological and Environmental Research, and the National Institutes of Health's National Center for Research Resources (grant RR018522). Portions of this research were supported by the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project. We thank T. Clauss for mass spec instrument calibration. This research was performed in the W. R. Wiley EMSL, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the U.S. Department of Energy under contract DE-ACO5-76RLO-1830. NR 29 TC 10 Z9 10 U1 5 U2 38 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 EI 1096-0309 J9 ANAL BIOCHEM JI Anal. Biochem. PD MAY 1 PY 2014 VL 452 BP 96 EP 102 DI 10.1016/j.ab.2014.01.003 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AF8UE UT WOS:000334990300015 PM 24440233 ER PT J AU Jennings, RM Whitmore, LM Moran, JJ Kreuzer, HW Inskeep, WP AF Jennings, Ryan M. Whitmore, Laura M. Moran, James J. Kreuzer, Helen W. Inskeep, William P. TI Carbon Dioxide Fixation by Metallosphaera yellowstonensis and Acidothermophilic Iron-Oxidizing Microbial Communities from Yellowstone National Park SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID AUTOTROPHIC CO2 FIXATION; METAGENOME SEQUENCE; ARCHAEA; CYCLE; ASSIMILATION; SULFATE; MATS; EVOLUTIONARY; BIOMARKERS; OXIDATION AB The fixation of inorganic carbon has been documented in all three domains of life and results in the biosynthesis of diverse organic compounds that support heterotrophic organisms. The primary aim of this study was to assess carbon dioxide fixation in high-temperature Fe(III)-oxide mat communities and in pure cultures of a dominant Fe(II)-oxidizing organism (Metallosphaera yellowstonensis strain MK1) originally isolated from these environments. Protein-encoding genes of the complete 3-hydroxypropionate/ 4-hydroxybutyrate (3-HP/4-HB) carbon dioxide fixation pathway were identified in M. yellowstonensis strain MK1. Highly similar M. yellowstonensis genes for this pathway were identified in metagenomes of replicate Fe(III)-oxide mats, as were genes for the reductive tricarboxylic acid cycle from Hydrogenobaculum spp. (Aquificales). Stable-isotope ((CO2)-C-13) labeling demonstrated CO2 fixation by M. yellowstonensis strain MK1 and in ex situ assays containing live Fe(III)-oxide microbial mats. The results showed that strain MK1 fixes CO2 with a fractionation factor of similar to 2.5%. Analysis of the C-13 composition of dissolved inorganic C (DIC), dissolved organic C (DOC), landscape C, and microbial mat C showed that mat C is from both DIC and non-DIC sources. An isotopic mixing model showed that biomass C contains a minimum of 42% C of DIC origin, depending on the fraction of landscape C that is present. The significance of DIC as a major carbon source for Fe(III)-oxide mat communities provides a foundation for examining microbial interactions that are dependent on the activity of autotrophic organisms (i.e., Hydrogenobaculum and Metallosphaera spp.) in simplified natural communities. C1 [Jennings, Ryan M.; Whitmore, Laura M.; Inskeep, William P.] Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. [Jennings, Ryan M.; Whitmore, Laura M.; Inskeep, William P.] Montana State Univ, Thermal Biol Inst, Bozeman, MT 59717 USA. [Moran, James J.; Kreuzer, Helen W.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Kreuzer, HW (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM Helen.Kreuzer@pnnl.gov; binskeep@montana.edu OI Moran, James/0000-0001-9081-9017 FU National Science Foundation Integrative Graduate and Education Training (IGERT) Program [DGE 0654336]; Howard Hughes Undergraduate Fellowship Program; Department of Energy Genome Science Program, Microbial Interactions Foundational Science Focus Area (Pacific Northwest National Laboratory) [112443]; Montana Agricultural Experiment Station [911300]; [YELL-5568] FX We acknowledge and appreciate funding from the National Science Foundation Integrative Graduate and Education Training (IGERT) Program (DGE 0654336) for support to R.M.J.; the Howard Hughes Undergraduate Fellowship Program for support to L. M. W.; the Department of Energy Genome Science Program, Microbial Interactions Foundational Science Focus Area (Pacific Northwest National Laboratory subcontract 112443 to Montana State University); and the Montana Agricultural Experiment Station (project 911300 to W. P. I.).; We appreciate research permits (permit no. YELL-5568, 2007-2010) managed by C. Hendrix and S. Gunther (Center for Resources, YNP) and discussion with J. Beam, Z. Jay, M. Kozubal, and M. Romine. NR 40 TC 8 Z9 8 U1 4 U2 34 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAY PY 2014 VL 80 IS 9 BP 2665 EP 2671 DI 10.1128/AEM.03416-13 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AF3AI UT WOS:000334583300003 PM 24532073 ER PT J AU Li, HP Daniel, B Creeley, D Grandbois, R Zhang, SJ Xu, C Ho, YF Schwehr, KA Kaplan, DI Santschi, PH Hansel, CM Yeager, CM AF Li, Hsiu-Ping Daniel, Benjamin Creeley, Danielle Grandbois, Russell Zhang, Saijin Xu, Chen Ho, Yi-Fang Schwehr, Kathy A. Kaplan, Daniel I. Santschi, Peter H. Hansel, Colleen M. Yeager, Chris M. TI Superoxide Production by a Manganese-Oxidizing Bacterium Facilitates Iodide Oxidation SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SAVANNA RIVER SITE; EXTRACELLULAR-SUPEROXIDE; MARINE-PHYTOPLANKTON; RADIOIODINE I-129; IODATE REDUCTION; REDOX CHEMISTRY; ORGANIC-MATTER; ACCUMULATION; ENVIRONMENT; SEAWATER AB The release of radioactive iodine (i.e., iodine-129 and iodine-131) from nuclear reprocessing facilities is a potential threat to human health. The fate and transport of iodine are determined primarily by its redox status, but processes that affect iodine oxidation states in the environment are poorly characterized. Given the difficulty in removing electrons from iodide (I-), naturally occurring iodide oxidation processes require strong oxidants, such as Mn oxides or microbial enzymes. In this study, we examine iodide oxidation by a marine bacterium, Roseobacter sp. AzwK- 3b, which promotes Mn(II) oxidation by catalyzing the production of extracellular superoxide (O-2(-)). In the absence of Mn2+, Roseobacter sp. AzwK-3b cultures oxidized similar to 90% of the provided iodide (10 mu M) within 6 days, whereas in the presence of Mn( II), iodide oxidation occurred only after Mn(IV) formation ceased. Iodide oxidation was not observed during incubations in spent medium or with whole cells under anaerobic conditions or following heat treatment (boiling). Furthermore, iodide oxidation was significantly inhibited in the presence of superoxide dismutase and diphenylene iodonium (a general inhibitor of NADH oxidoreductases). In contrast, the addition of exogenous NADH enhanced iodide oxidation. Taken together, the results indicate that iodide oxidation was mediated primarily by extracellular superoxide generated by Roseobacter sp. AzwK-3b and not by the Mn oxides formed by this organism. Considering that extracellular superoxide formation is a widespread phenomenon among marine and terrestrial bacteria, this could represent an important pathway for iodide oxidation in some environments. C1 [Li, Hsiu-Ping; Daniel, Benjamin; Creeley, Danielle; Grandbois, Russell; Zhang, Saijin; Xu, Chen; Ho, Yi-Fang; Schwehr, Kathy A.; Santschi, Peter H.] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77553 USA. [Kaplan, Daniel I.] Savannah River Natl Lab, Aiken, SC USA. [Hansel, Colleen M.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Yeager, Chris M.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Yeager, CM (reprint author), Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. EM cyeager@lanl.gov RI Creeley, Danielle/L-2721-2015 OI Creeley, Danielle/0000-0003-0720-6223 FU U.S. Department of Energy (DOE) Subsurface Biogeochemistry Research Program within the Office of Science [DE-FC02-07 ER65222]; Welch grant [BD0046]; NSF-REU program FX This work was funded by the U.S. Department of Energy (DOE) Subsurface Biogeochemistry Research Program within the Office of Science (DE-FC02-07 ER65222). Danielle Creeley was partially funded by Welch grant BD0046 and the NSF-REU program. NR 38 TC 6 Z9 7 U1 2 U2 37 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAY PY 2014 VL 80 IS 9 BP 2693 EP 2699 DI 10.1128/AEM.00400-14 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AF3AI UT WOS:000334583300007 PM 24561582 ER PT J AU Fontes, CJ Zhang, HL AF Fontes, Christopher J. Zhang, Hong Lin TI Relativistic distorted-wave collision strengths for the 49 Delta n=0 optically allowed transitions with n=2 in the 67 B-like ions with 26 <= Z <= 92 SO ATOMIC DATA AND NUCLEAR DATA TABLES LA English DT Article ID HIGHLY-CHARGED IONS; ELECTRON-IMPACT EXCITATION; POSSIBLE N=2-N=3 TRANSITIONS; C-LIKE IONS; OSCILLATOR-STRENGTHS; ATOMIC DATA; FE-XXII; RATE COEFFICIENTS; IRON PROJECT; AR-XIV AB Relativistic distorted-wave collision strengths have been calculated for the 49,Delta n = 0 optically allowed transitions with n = 2 in the 67 B-like ions with nuclear charge number Z in the range 26 <= Z <= 92. The calculations were made for the four final, or scattered, electron energies E' = 0.20, 0.42, 0.80, and 1.40, where E' is in units of Z(eff)(2) Ry with Z(eff) = Z - 3.33. In the present calculations, an improved "top-up" method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb-Bethe approximation used in previous work by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 411. In that earlier work, collision strengths were also provided for B-like ions, but for a more comprehensive data set consisting of all 105 = 0 transitions, six scattered energies and the 85 ions with Z in the range 8 <= Z <= 92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 41] and are presented here to replace those earlier results. (c) 2014 Elsevier Inc. All rights reserved. C1 [Fontes, Christopher J.; Zhang, Hong Lin] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. RP Fontes, CJ (reprint author), Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. EM cjf@lanl.gov FU US Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was performed under the auspices of the US Department of Energy by Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 37 TC 5 Z9 5 U1 1 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0092-640X EI 1090-2090 J9 ATOM DATA NUCL DATA JI Atom. Data Nucl. Data Tables PD MAY PY 2014 VL 100 IS 3 BP 802 EP 832 DI 10.1016/j.adt.2013.09.001 PG 31 WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Physics GA AF4AD UT WOS:000334652900004 ER PT J AU Jagadamma, S Steinweg, JM Mayes, MA Wang, GS Post, WM AF Jagadamma, Sindhu Steinweg, J. Megan Mayes, Melanie A. Wang, Gangsheng Post, Wilfred M. TI Decomposition of added and native organic carbon from physically separated fractions of diverse soils SO BIOLOGY AND FERTILITY OF SOILS LA English DT Article DE Native organic carbon; Glucose; Respiration; Particulate organic carbon; Mineral-associated organic carbon ID GRASSLAND SOILS; FOREST SOILS; DENSITY FRACTIONATION; MICROBIAL UTILIZATION; MINERAL SURFACES; MATTER FRACTIONS; IRON-OXIDE; CLAY SOIL; MECHANISMS; SORPTION AB There have been increasing efforts to understand the dynamics of organic carbon (OC) associated with measurable fractions of bulk soil. We compared the decomposition of native OC (native C) with that of an added substrate (glucose) on physically separated fractions of a diverse suite of soils. Five soil orders were selected from four contrasting climate zones (Mollisol from temperate, Ultisol and Oxisol from tropics, Andisol from sub-arctic, and Gelisol from arctic region). Soils from the A horizon were fractionated into particulate OC (POC) and mineral-associated OC (MOC) by a size-based method. Fractions were incubated at 20 A degrees C and 50 % water-holding capacity in the dark after the addition of unlabeled d-glucose (0.4 mg C g(-1) fraction) and U-C-14 glucose (296 Bq g(-1) fraction). Respiration of glucose C-14 indicated 64 to 84 % of added glucose C-14 which was respired from POC and 62 to 70 % from MOC within 150 days of incubation, with more than half of the cumulative respiration occurring within 4 days. Native C respiration varied widely across fractions: 12 to 46 % of native C was respired from POC and 3 to 10 % was respired from MOC fractions. This suggested that native C was more stabilized on the MOC than on the POC, but respiration from the added glucose was generally similar for MOC and POC fractions. Our study suggests a fundamental difference between the behavior of freshly added C and native C from MOC and POC fractions of soils. C1 [Jagadamma, Sindhu; Mayes, Melanie A.; Wang, Gangsheng; Post, Wilfred M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Jagadamma, Sindhu; Steinweg, J. Megan; Mayes, Melanie A.; Wang, Gangsheng; Post, Wilfred M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Steinweg, J. Megan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Jagadamma, S (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd,POB 2008,MS 6036, Oak Ridge, TN 37831 USA. EM jagadammas@ornl.gov FU Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL); U.S. Department of Energy Biological and Environmental Research program; U.S. Department of Energy [DE-AC05-00OR22725]; US National Science Foundation [DEB 0236502, 0703561] FX This research was funded in part by the Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL), and by the U.S. Department of Energy Biological and Environmental Research program. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. We thank Stan Wullschleger, Anna Wagner, Julie Jastrow, Yuri Zinn, Guorun Gisladottir and Ann Russell for providing soil samples, and Chad Covert, Daniel Wade and Jana Phillips for help with laboratory analyses. Collection and processing of soil samples from Brazil was supported by CNPq. The Costa Rican soils were collected as part of work supported by US National Science Foundation Grants DEB 0236502 and 0703561. NR 67 TC 4 Z9 4 U1 3 U2 45 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-2762 EI 1432-0789 J9 BIOL FERT SOILS JI Biol. Fertil. Soils PD MAY PY 2014 VL 50 IS 4 BP 613 EP 621 DI 10.1007/s00374-013-0879-2 PG 9 WC Soil Science SC Agriculture GA AF7ZR UT WOS:000334935000006 ER PT J AU Jahangir, MMR Minet, EP Johnston, P Premrov, A Coxon, CE Hackett, R Richards, KG AF Jahangir, M. M. R. Minet, E. P. Johnston, P. Premrov, A. Coxon, C. E. Hackett, R. Richards, K. G. TI Mustard catch crop enhances denitrification in shallow groundwater beneath a spring barley field SO CHEMOSPHERE LA English DT Article DE Cover crop; Denitrification; Shallow groundwater; DOC; N2O-N; N-2-N ID NITROUS-OXIDE; IN-SITU; WATER DENITRIFICATION; RIPARIAN ZONES; NITRATE; SOILS; REDUCTION; EMISSIONS; DYNAMICS; WETLANDS AB Over-winter green cover crops have been reported to increase dissolved organic carbon (DOC) concentrations in groundwater, which can be used as an energy source for denitrifiers. This study investigates the impact of a mustard catch crop on in situ denitrification and nitrous oxide (N2O) emissions from an aquifer overlain by arable land. Denitrification rates and N2O-N/(N2O-N + N-2-N) mole fractions were measured in situ with a push-pull method in shallow groundwater under a spring barley system in experimental plots with and without a mustard cover crop. The results suggest that a mustard cover crop could substantially enhance reduction of groundwater nitrate (NO3--N) via denitrification without significantly increasing N2O emissions. Mean total denitrification (TDN) rates below mustard cover crop and no cover crop were 7.61 and 0.002 mu g kg(-1) d(-1), respectively. Estimated N2O-N/(N2O-N + N-2-N) ratios, being 0.001 and 1.0 below mustard cover crop and no cover crop respectively, indicate that denitrification below mustard cover crop reduces N2O to N-2, unlike the plot with no cover crop. The observed enhanced denitrification under the mustard cover crop may result from the higher groundwater DOC under mustard cover crop (1.53 mg L-1) than no cover crop (0.90 mg L-1) being added by the root exudates and root masses of mustard. This study gives insights into the missing piece in agricultural nitrogen (N) balance and groundwater derived N2O emissions under arable land and thus helps minimise the uncertainty in agricultural N and N2O-N balances. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Jahangir, M. M. R.; Minet, E. P.; Richards, K. G.] Johnstown Castle Co, Teagasc Environm Res Ctr, Wexford, Ireland. [Jahangir, M. M. R.; Johnston, P.] Trinity Coll Dublin, Dept Civil Struct & Environm Engn, Dublin, Ireland. [Jahangir, M. M. R.] Bangladesh Agr Univ, Dept Soil Sci, Mymensingh, Bangladesh. [Premrov, A.; Coxon, C. E.] Trinity Coll Dublin, Sch Nat Sci, Dept Geol, Dublin, Ireland. [Hackett, R.] TEAGASC, Oak Pk Res Ctr, Carlow, Ireland. RP Jahangir, MMR (reprint author), Johnstown Castle Co, Teagasc Environm Res Ctr, Wexford, Ireland. EM jahangim@tcd.ie RI Richards, Karl/A-5606-2010; Coxon, Catherine/O-7368-2014 OI Richards, Karl/0000-0002-3703-3450; Coxon, Catherine/0000-0002-2911-9115 FU Irish Research Council; Department of Civil, Structural & Environmental Engineering, Trinity College Dublin, Ireland; Department of Agriculture and Food through the Research Stimulus Fund Programme [RSF 06383] FX The study was funded by Irish Research Council and Department of Agriculture and Food through the Research Stimulus Fund Programme (Grant RSF 06383) in collaboration with the Department of Civil, Structural & Environmental Engineering, Trinity College Dublin, Ireland. NR 35 TC 2 Z9 2 U1 5 U2 42 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 MAY PY 2014 VL 103 BP 234 EP 239 DI 10.1016/j.chemosphere.2013.11.072 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA AF1NZ UT WOS:000334481900030 PM 24374183 ER PT J AU Schimmelpfennig, I Schaefer, JM Akcar, N Koffman, T Ivy-Ochs, S Schwartz, R Finkel, RC Zimmerman, S Schluchter, C AF Schimmelpfennig, Irene Schaefer, Joerg M. Akcar, Naki Koffman, Tobias Ivy-Ochs, Susan Schwartz, Roseanne Finkel, Robert C. Zimmerman, Susan Schluechter, Christian TI A chronology of Holocene and Little Ice Age glacier culminations of the Steingletscher, Central Alps, Switzerland, based on high-sensitivity beryllium-10 moraine dating SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE glacier fluctuations; Holocene \; Little Ice Age; Be-10 moraine dating; Swiss Alps; climate change ID PRODUCTION-RATE CALIBRATION; WESTERN SWISS-ALPS; COSMOGENIC BE-10; EGESEN MORAINE; EUROPEAN ALPS; NEW-ZEALAND; FLUCTUATIONS; AL-26; RATES; OSCILLATIONS AB The amplitude and timing of past glacier culminations are sensitive recorders of key climate events on a regional scale. Precisely dating young moraines using cosmogenic nuclides to investigate Holocene glacier chronologies has proven challenging, but progress in the high-sensitivity Be-10 technique has recently been shown to enable the precise dating of moraines as young as a few hundred years. In this study we use Be-10 moraine dating to reconstruct culminations of the Steingletscher, a small mountain glacier in the central Swiss Alps, throughout the Holocene. The outermost-recorded positions of Steingletscher most likely occurred in the Early Holocene and appear nearly synchronous with glacier culminations reported from other regions in the Alps. A Late-Holocene position corroborates the evidence for a significant glacier advance of similar extent to that of the Little Ice Age (LIA) similar to 3 kyr ago. Finally, fourteen boulders from different moraines yield 10Be ages between 580 and 140 years with analytical precisions mostly < 10%, dating Steingletscher advances during the LIA. Because these LIA Be-10 ages are in stratigraphic order, we tentatively distinguish four LIA glacier culminations: about 1470 CE, 1650 CE, 1750 CE and 1820 CE, which are in good agreement with existing independent records during the LIA in the Swiss Alps. These findings illustrate the high potential of the Be-10 moraine dating method to directly link paleo-glacier-chronologies to historical records and thus present-day glacier evolution. (C) 2014 Elsevier B.V. All rights reserved. C1 [Schimmelpfennig, Irene; Schaefer, Joerg M.; Koffman, Tobias; Schwartz, Roseanne] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. [Schimmelpfennig, Irene] Aix Marseille Univ, CNRS IRD Coll France, UM 34, CEREGE, Aix En Provence, France. [Akcar, Naki; Schluechter, Christian] Univ Bern, Inst Geol Sci, CH-3012 Bern, Switzerland. [Koffman, Tobias] Univ Maine, Dept Earth Sci, Orono, ME 04469 USA. [Koffman, Tobias] Univ Maine, Climate Change Inst, Orono, ME 04469 USA. [Ivy-Ochs, Susan] ETH, Inst Teilchenphys, Zurich, Switzerland. [Finkel, Robert C.; Zimmerman, Susan] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Finkel, Robert C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Schimmelpfennig, I (reprint author), CEREGE, F-13454 Aix En Provence 4, France. EM schimmel@cerege.fr RI akcar, Naki/C-1417-2008; Zimmerman, Susan/A-3351-2013 OI akcar, Naki/0000-0002-5604-3179; FU CRONUS Cosmic-Ray Produced Nuclide Systematics on Earth; U.S. National Science Foundation [EAR-0345835]; International Balzan Foundation; German Academic Exchange Service (DAAD); College de France; Lamont Climate Center; Comer Science and Education Foundation; Hans-Sigrist Foundation FX We thank J. Hanley and K. Needleman for help with sample preparation; A. Putnam, M. Pasturel, L. Benedetti, and R. Braucher for assistance during data interpretation; and the staff of the Center for Accelerator Mass Spectrometry at Lawrence Livermore National Laboratory for the excellent measurements. We acknowledge support by the CRONUS-Earth project (Cosmic-Ray Produced Nuclide Systematics on Earth) (U.S. National Science Foundation grant EAR-0345835), the International Balzan Foundation, the German Academic Exchange Service (DAAD), the College de France, the Lamont Climate Center, the Comer Science and Education Foundation and the Hans-Sigrist Foundation. We thank Joe Licciardi and an anonymous reviewer for their constructive reviews, which greatly improved the manuscript. This is Lamont-Doherty Earth Observatory publication 7762. NR 48 TC 18 Z9 18 U1 0 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X EI 1385-013X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD MAY 1 PY 2014 VL 393 BP 220 EP 230 DI 10.1016/j.epsl.2014.02.046 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG0KG UT WOS:000335103800024 ER PT J AU Gallagher, KG Goebel, S Greszler, T Mathias, M Oelerich, W Eroglu, D Srinivasan, V AF Gallagher, Kevin G. Goebel, Steven Greszler, Thomas Mathias, Mark Oelerich, Wolfgang Eroglu, Damla Srinivasan, Venkat TI Quantifying the promise of lithium-air batteries for electric vehicles SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID NONAQUEOUS LI-O-2 BATTERIES; OXIDE ELECTRODES; ION BATTERIES; CHALLENGES; CAPACITY; DISCHARGE; ANODES; FUTURE; CELLS; METAL AB Researchers worldwide view the high theoretical specific energy of the lithium-air or lithium-oxygen battery as a promising path to a transformational energy-storage system for electric vehicles. Here, we present a self-consistent material-to-system analysis of the best-case mass, volume, and cost values for the nonaqueous lithium-oxygen battery and compare them with current and advanced lithium-based batteries using metal-oxide positive electrodes. Surprisingly, despite their high theoretical specific energy, lithium-oxygen systems were projected to achieve parity with other candidate chemistries as a result of the requirement to deliver and purify or to enclose the gaseous oxygen reactant. The theoretical specific energy, which leads to predictions of an order of magnitude improvement over a traditional lithium-ion battery, is shown to be an inadequate predictor of systems-level cost, volume, and mass. This analysis reveals the importance of system-level considerations and identifies the reversible lithium-metal negative electrode as a common, critical high-risk technology needed for batteries to reach long-term automotive objectives. Additionally, advanced lithium-ion technology was found to be a moderate risk pathway to achieve the majority of volume and cost reductions. C1 [Gallagher, Kevin G.; Eroglu, Damla] Argonne Natl Lab, Lemont, IL USA. [Goebel, Steven; Greszler, Thomas; Mathias, Mark] Gen Motors, Pontiac, MI USA. [Oelerich, Wolfgang] Adam Opel AG, Russelsheim, Germany. [Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kevin.gallagher@anl.gov FU Joint Center for Energy Storage Research; Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences; UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC0206CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC0206CH11357. NR 31 TC 126 Z9 126 U1 13 U2 215 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD MAY PY 2014 VL 7 IS 5 BP 1555 EP 1563 DI 10.1039/c3ee43870h PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AF9CU UT WOS:000335013700003 ER PT J AU Ma, C Chen, K Liang, CD Nan, CW Ishikawa, R More, K Chi, MF AF Ma, Cheng Chen, Kai Liang, Chengdu Nan, Ce-Wen Ishikawa, Ryo More, Karren Chi, Miaofang TI Atomic-scale origin of the large grain-boundary resistance in perovskite Li-ion-conducting solid electrolytes SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID LITHIUM-LANTHANUM-TITANATE; TITANIUM PHOSPHATE; CRITICAL CURRENTS; SRTIO3; BATTERIES; YBA2CU3O7-DELTA; MICROSTRUCTURE; CERAMICS; OXIDES AB Li-ion-conducting solid electrolytes are the potential solution to the severe safety issues that occur with conventional batteries based on solvent-based electrolytes. The ionic conductivity of solid electrolytes is in general too low, however, due to a high grain-boundary (GB) resistance. A thorough understanding of the ionic transport mechanism at GBs in these materials is critical for a revolutionary development of next-generation Li batteries. Herein we present the first atomic-scale study to reveal the origin of the large GB resistance; (Li3xLa2/3-x)TiO3 was chosen as a prototype material to demonstrate the concept. A strikingly severe structural and chemical deviation of about 2-3 unit cells thick was revealed at the grain boundaries. Instead of preserving the ABO(3) perovskite framework, such GBs were shown to consist of a binary Ti-O compound, which prohibits the abundance and transport of the charge carrier Li+. This observation has led to a potential strategy for tailoring the grain boundary structures. This study points out, for the first time, the importance of the atomic-scale grain-boundary modification to the macroscopic Li+ conductivity. Such a discovery paves the way for the search and design of solid electrolytes with superior performance. C1 [Ma, Cheng; Liang, Chengdu; Ishikawa, Ryo; More, Karren; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Chen, Kai; Nan, Ce-Wen] Tsinghua Univ, Sch Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China. RP Ma, C (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM chim@ornl.gov RI Ma, Cheng/C-9120-2014; Ishikawa, Ryo/M-4206-2014; Chi, Miaofang/Q-2489-2015; More, Karren/A-8097-2016 OI Ishikawa, Ryo/0000-0001-5801-0971; Chi, Miaofang/0000-0003-0764-1567; More, Karren/0000-0001-5223-9097 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; National Science Foundation of China; Scientific User Facilities Division, BES-DOE FX This work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, and the National Science Foundation of China. Sample treatments and materials characterization were conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, BES-DOE. NR 33 TC 20 Z9 20 U1 13 U2 142 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD MAY PY 2014 VL 7 IS 5 BP 1638 EP 1642 DI 10.1039/c4ee00382a PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AF9CU UT WOS:000335013700009 ER PT J AU Carre-Burritt, AE Davis, BL Rekken, BD Mack, N Semelsberger, TA AF Carre-Burritt, Asa E. Davis, Benjamin L. Rekken, Brian D. Mack, Nathan Semelsberger, Troy A. TI Enabling ammonia-borane: co-oligomerizaiton of ammonia-borane and amine-boranes yield liquid products SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID MOLECULAR-WEIGHT POLYAMINOBORANES; CERAMIC CONVERSION REACTIONS; N-H COMPOUNDS; THERMAL-DECOMPOSITION; HYDROGEN STORAGE; POLYMERIC PRECURSOR; BORON-NITRIDE AB In contrast to neat ammonia-borane (AB), the thermal decomposition of AB with N-substituted amine-boranes yields a liquid product after extended heating and H-2 release. NMR and GPC data indicate that co-oligomerization has occurred. These results show promise for developing high energy density AB-based fuel formulations for automotive applications. C1 [Carre-Burritt, Asa E.; Davis, Benjamin L.; Rekken, Brian D.; Semelsberger, Troy A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mack, Nathan] Los Alamos Natl Lab, C PCS, Los Alamos, NM 87545 USA. RP Carre-Burritt, AE (reprint author), Los Alamos Natl Lab, MPA 11,MS J514, Los Alamos, NM 87545 USA. EM bldavis@lanl.gov RI Davis, Benjamin /I-7897-2015; OI Davis, Benjamin/0000-0001-5439-0751 FU Grace Ordaz (US-DOE); Center for Integrated Nanotechnologies; DOE Nanoscience User Facility (DLS instrumentation); DOE office of EERE (Energy Efficiency and Renewable Energy) [NA25396, DE-EE-0005658] FX The authors would like to thank Tom Baker (University of Ottawa) for helpful discussions and Grace Ordaz (US-DOE) for her support. We acknowledge support from the Center for Integrated Nanotechnologies, a DOE Nanoscience User Facility (DLS instrumentation). This work was supported by the DOE office of EERE (Energy Efficiency and Renewable Energy) under Contract Numbers NA25396 and DE-EE-0005658. NR 26 TC 4 Z9 4 U1 2 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD MAY PY 2014 VL 7 IS 5 BP 1653 EP 1656 DI 10.1039/c4ee00442f PG 4 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AF9CU UT WOS:000335013700012 ER PT J AU Lee, JC Jackson, DHK Li, T Winans, RE Dumesic, JA Kuech, TF Huber, GW AF Lee, Jechan Jackson, David H. K. Li, Tao Winans, Randall E. Dumesic, James A. Kuech, Thomas F. Huber, George W. TI Enhanced stability of cobalt catalysts by atomic layer deposition for aqueous-phase reactions SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID FISCHER-TROPSCH CATALYSTS; METAL-CATALYSTS; THIN-FILMS; BIOMASS; HYDROGENATION; HYDRODEOXYGENATION; DEACTIVATION; CHEMISTRY; GROWTH; FUELS AB A thin atomic layer deposition (ALD) TiO2 coating successfully stabilizes cobalt particles supported on TiO2 for aqueous-phase hydrogenation (APH) reactions by preventing leaching and sintering of cobalt. The uncoated conventional cobalt catalysts leach under the same conditions. Using Al2O3 coating of Co/gamma-Al2O3 causes the formation of an irreducible cobalt aluminate phase which has no catalytic activity. The ALD TiO2 decorated cobalt catalyst is active for APH of a range of feedstocks including furfuryl alcohol, furfural, and xylose whereas classic non-ALD cobalt catalysts have very low activity for these reactions. C1 [Lee, Jechan; Dumesic, James A.; Kuech, Thomas F.; Huber, George W.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Jackson, David H. K.; Kuech, Thomas F.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Li, Tao; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Lee, JC (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM huber@engr.wisc.edu RI li, tao/K-8911-2012; Lee, Jechan/J-1229-2016 OI li, tao/0000-0001-5454-1468; Lee, Jechan/0000-0002-9759-361X FU U.S. Department of Energy, Office of Basic Energy Sciences; U.S. DOE [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 Basic Energy Sciences. The authors would like to acknowledge for the use of Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract no. DE-AC02-06CH11357. The authors would also like to acknowledge Yingxin Guan for the help with the TEM images and Dr Ren Yang for the helpful discussion for diffraction results. NR 29 TC 34 Z9 34 U1 10 U2 121 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD MAY PY 2014 VL 7 IS 5 BP 1657 EP 1660 DI 10.1039/c4ee00379a PG 4 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AF9CU UT WOS:000335013700013 ER PT J AU Sheng, WC Bivens, AP Myint, M Zhuang, ZB Forest, RV Fang, QR Chen, JG Yan, YS AF Sheng, Wenchao Bivens, Adam P. Myint, MyatNoeZin Zhuang, Zhongbin Forest, Robert V. Fang, Qianrong Chen, Jingguang G. Yan, Yushan TI Non-precious metal electrocatalysts with high activity for hydrogen oxidation reaction in alkaline electrolytes SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID OXYGEN-REDUCTION ACTIVITY; RANEY-NICKEL CATALYST; FUEL-CELLS; WATER ELECTROLYSIS; EVOLUTION REACTION; COBALT-MOLYBDENUM; ELECTRODES; FUTURE; ALLOY; NI AB A ternary metallic CoNiMo catalyst is electrochemically deposited on a polycrystalline gold (Au) disk electrode using pulse voltammetry, and characterized for hydrogen oxidation reaction (HOR) activity by temperature-controlled rotating disk electrode measurements in 0.1 M potassium hydroxide (KOH). The catalyst exhibits the highest HOR activity among all non-precious metal catalysts (e.g., 20 fold higher than Ni). At a sufficient loading, the CoNiMo catalyst is expected to outperform Pt and thus provides a promising low cost pathway for alkaline or alkaline membrane fuel cells. Density functional theory (DFT) calculations and parallel H-2-temperature programmed desorption (TPD) experiments on structurally much simpler model alloy systems show a trend that CoNiMo has a hydrogen binding energy (HBE) similar to Pt and much lower than Ni, suggesting that the formation of multi-metallic bonds modifies the HBE of Ni and is likely a significant contributing factor for the enhanced HOR activity. C1 [Sheng, Wenchao; Bivens, Adam P.; Myint, MyatNoeZin; Zhuang, Zhongbin; Forest, Robert V.; Fang, Qianrong; Yan, Yushan] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA. [Sheng, Wenchao; Bivens, Adam P.; Myint, MyatNoeZin; Zhuang, Zhongbin; Forest, Robert V.; Fang, Qianrong; Yan, Yushan] Univ Delaware, Ctr Catalyt Sci & Technol, Newark, DE 19716 USA. [Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. [Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Sheng, WC (reprint author), Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA. EM jgchen@columbia.edu; yanys@udel.edu RI Zhuang, e/H-8164-2016 OI Zhuang, e/0000-0001-7187-1266 FU US Department of Energy [DE-FG02-13ER16381] FX This work is supported by the US Department of Energy (DE-FG02-13ER16381) and ARPA-E (DE-AR0000009). We would like to thank Prof. Michael Mackay, Mr Brian McCandless and Mr Ngoc A. Nguyen for the GIXRD measurements and Ms Jie Zheng for the assistance in SEM characterization. NR 37 TC 39 Z9 40 U1 28 U2 257 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD MAY PY 2014 VL 7 IS 5 BP 1719 EP 1724 DI 10.1039/c3ee43899f PG 6 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AF9CU UT WOS:000335013700021 ER PT J AU Wu, X Dong, J Lin, ZH AF Wu, Xing Dong, Jing Lin, Zhenhong TI Cost analysis of plug-in hybrid electric vehicles using GPS-based longitudinal travel data SO ENERGY POLICY LA English DT Article DE Plug-in hybrid electric vehicles; Operating cost; Battery cost ID CHARGING INFRASTRUCTURE; VARIABILITY AB Using spatial, longitudinal travel data of 415 vehicles over 3-18 months in the Seattle metropolitan area, this paper estimates the operating costs of plug-in hybrid electric vehicles (PHEVs) of various electric ranges (10, 20, 30, and 40 miles) for 3, 5, and 10 years of payback period, considering different charging infrastructure deployment levels and gasoline prices. Some key findings were made. (1) PHEVs could help save around 60% or 40% in energy costs, compared with conventional gasoline vehicles (CGVs) or hybrid electric vehicles (HEVs), respectively. However, for motorists whose daily vehicle miles traveled (DVMT) is significant, HEVs may be even a better choice than PHEV405, particularly in areas that lack a public charging infrastructure. (2) The incremental battery cost of large-battery PHEVs is difficult to justify based on the incremental savings of PHEVs' operating costs unless a subsidy is offered for large-battery PHEVs. (3) When the price of gasoline increases from $4/gallon to $5/gallon, the number of drivers who benefit from a larger battery increases significantly: (4) Although quick chargers can reduce charging time, they contribute little to energy cost savings for PHEVs, as opposed to Level-II chargers. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Wu, Xing] Lamar Univ, Dept Civil Engn, Beaumont, TX 77710 USA. [Dong, Jing] Iowa State Univ, Dept Civil Construct & Environm Engn, Ames, IA 50011 USA. [Lin, Zhenhong] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Wu, X (reprint author), Lamar Univ, Dept Civil Engn, 4400 MLK Blvd, Beaumont, TX 77710 USA. EM xing.wu@lamar.edu; jingdong@iastate.edu; linz@ornl.gov RI Wu, Xing/O-6117-2016; OI Wu, Xing/0000-0002-0514-3292; Dong, Jing/0000-0002-7304-8430 FU Lamar University [420212]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office [DE-AC05-00OR22725]; UT-Battelle, LLC; US Department of Energy [DE-AC05-00OR22725] FX This research is sponsored by Lamar University 2013 Research Enhancement Grant 420212 and the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors assume sole responsibilities for the content expressed.; This manuscript has been authored by the Oak Ridge National Laboratory, managed by UT-Battelle LLC under Contract no. DE-AC05-00OR22725 with the US Department of Energy. The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US Government purposes. NR 24 TC 12 Z9 12 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD MAY PY 2014 VL 68 BP 206 EP 217 DI 10.1016/j.enpol.2013.12.054 PG 12 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AE6TO UT WOS:000334130900020 ER PT J AU Choi, SH Ghim, YS Chang, YS Jung, K AF Choi, Soon-Ho Ghim, Young Sung Chang, Young-Soo Jung, Kweon TI Behavior of particulate matter during high concentration episodes in Seoul SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Article DE PM2.5; Coarse particles; Wind speed; Asian dust; Long-range transport ID MINERAL DUST; FINE; PARTICLES; POLLUTION AB The behavior of particulate matter (PM) during high-concentration episodes was investigated using monitoring data from Guui station, a comprehensive air monitoring station in Seoul, Korea, from January 2008 to March 2010. Five non-Asian dust (ND) episodes and two Asian dust (AD) episodes of high PM concentrations were selected for the study. During the ND episode, primary air pollutants accumulated due to low wind speeds, and PM2.5 increased along with most other air pollutants. Particles larger than PM2.5 were also high since these particles were generated by vehicular traffic rather than wind erosion. During strong AD episodes, PM10-2.5 primarily increased and gaseous primary air pollutants decreased under high wind speeds. However, even during the AD episode, PM2.5 and gaseous primary air pollutants increased when the effects of AD were weak and wind speeds were low. This study corroborates that accumulation of air pollutants due to a drop in surface wind speed plays an important role in short-term high-concentration occurrences. However, low wind speeds could not be directly linked to local emissions because a significant portion of accumulated air pollutants resulted from long-range transport. C1 [Choi, Soon-Ho; Ghim, Young Sung] Hankuk Univ Foreign Studies, Dept Environm Sci, Yongin 449791, Gyeonggi, South Korea. [Chang, Young-Soo] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Jung, Kweon] Seoul Metropolitan Govt Inst Hlth & Environm, Dept Air Qual, Seoul 137734, South Korea. RP Ghim, YS (reprint author), Hankuk Univ Foreign Studies, Dept Environm Sci, Yongin 449791, Gyeonggi, South Korea. EM ysghim@hufs.ac.kr FU Korea Meteorological Administration Research and Development Program [CATER 2012-7130] FX This work was funded by the Korea Meteorological Administration Research and Development Program under Grant CATER 2012-7130. NR 26 TC 7 Z9 7 U1 0 U2 16 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 EI 1614-7499 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD MAY PY 2014 VL 21 IS 9 BP 5972 EP 5982 DI 10.1007/s11356-014-2555-y PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA AF4LS UT WOS:000334684700022 PM 24464082 ER PT J AU Ilgen, AG Majs, F Barker, AJ Douglas, TA Trainor, TP AF Ilgen, A. G. Majs, F. Barker, A. J. Douglas, T. A. Trainor, T. P. TI Oxidation and mobilization of metallic antimony in aqueous systems with simulated groundwater SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID RAY-DIFFRACTION PATTERNS; QUANTITATIVE INTERPRETATION; HYDROGEN-PEROXIDE; NONTRONITE NAU-1; SHOOTING RANGES; HEAVY-METALS; HUMIC-ACID; SORPTION; SB(III); ENVIRONMENT AB Antimony (Sb) is a contaminant of concern that can be present in elevated concentrations in shooting range soils due to mobilization from spent lead/antimony bullets. Antimony in shooting range soils has been observed as either metallic Sb(0) or as Sb(V) immobilized by iron (hydr)oxides. The absence of Sb(III) in soils is indicative of rapid Sb(III) oxidation to Sb(V) under surface soil conditions. However, the major controls on antimony oxidation and mobility are poorly understood. To better understand these controls we performed multiple batch experiments under oxic conditions to quantify the oxidation and dissolution of antimony in systems where Sb(0) is oxidized to Sb(III) and further to Sb(V). We also tested how variations in the aqueous matrix composition and the presence of metallic lead (Pb) affect the dissolution, solid phase speciation, and oxidation of antimony. We monitored changes in the aqueous antimony speciation using liquid chromatography inductively coupled plasma mass spectrometry (LC-ICP-MS). To test which solid phases form as a result of Sb(0) oxidation, and therefore potentially limit the mobility of antimony in our studied systems, we characterized the partially oxidized Sb(0) powders by means of extended X-ray absorption fine structure (EXAFS) spectroscopy and powder X-ray diffraction (XRD). The observed oxidation of Sb(0) to Sb(III) and mobilization to solution is rapid: after 5-15 min of reaction the aqueous antimony concentration reached 50-600 mu M. The amount of dissolved antimony and the rate of Sb(III) oxidation to Sb(V) in deionized water is lower than what we measured in the simulated groundwater systems. Senarmontite (Sb2O3), the primary crystalline oxidation product of Sb(0), was detected after one month from the beginning of Sb(0) oxidation. The maximum aqueous Sb(III) concentration is about 30 times larger than the predicted equilibrium concentration with respect to senarmontite in the initial stages (<65 h) of our experiment. Concentrations reach equilibrium within 146-222 days. The maximum concentration of Sb(V) is controlled by cation availability for the precipitation of an antimonate. In the systems where sodium Na(I) exceeded 20 mM precipitation of mopungite is observed. No crystalline phases were detected in the systems with added lead, and the dissolved Sb(V) concentration is several orders of magnitude higher than would be expected in equilibrium with bindheimite (Pb2Sb2O7). The observed solubility of Sb(V) in the systems with Ca(II) is several orders of magnitude larger than the solubility reported for romeite (Ca2Sb2O7). The addition of Pb(0) lowered the extent of Sb(0) oxidation due to competitive oxidation or to the coupling of antimony and lead redox reactions. The results from our research can be used to identify substrates that promote precipitation of relatively insoluble antimony compounds in target berm soils and thus prevent the offsite migration of antimony from shooting range target berms. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Ilgen, A. G.; Majs, F.; Barker, A. J.; Trainor, T. P.] Univ Alaska, Dept Chem & Biochem, Fairbanks, AK 99775 USA. [Barker, A. J.; Douglas, T. A.] US Army Corps Engn, Cold Reg Res & Engn Lab, Ft Wainwright, AK 99709 USA. RP Ilgen, AG (reprint author), Sandia Natl Labs, Dept Geochem, 1515 Eubank SE Mailstop 0754, Albuquerque, NM 87185 USA. EM agilgen@sandia.gov OI Majs, Frantisek/0000-0003-1525-7709 FU U.S. Department of Defense's Strategic Environmental Research and development Program (SERDP) [ER-1770]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. DOE [DE-AC02-06CH11357]; National Science Foundation programs Earth Sciences [EAR-1128799]; Department of Energy, Geosciences [DE-FG02-94ER14466]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding of this project was provided by the U.S. Department of Defense's Strategic Environmental Research and development Program (SERDP) grant ER-1770. A portion of the work was funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. We thank Matt Newville for help with XAS data acquisition at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, is supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The GeoSoilEnviroCARS is supported by the National Science Foundation programs Earth Sciences (EAR-1128799), and the Department of Energy, Geosciences (DE-FG02-94ER14466). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 59 TC 7 Z9 7 U1 10 U2 92 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD MAY 1 PY 2014 VL 132 BP 16 EP 30 DI 10.1016/j.gca.2014.01.019 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF6NP UT WOS:000334832100002 ER PT J AU Nippress, A Green, DN Marcillo, OE Arrowsmith, SJ AF Nippress, Alexandra Green, David N. Marcillo, Omar E. Arrowsmith, Stephen J. TI Generating regional infrasound celerity-range models using ground-truth information and the implications for event location SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Probability distributions; Seismic monitoring and test-ban treaty verification; Wave propagation; Acoustic properties; North America ID SEISMIC NETWORK; TRAVEL-TIMES; PROPAGATION; EXPLOSIONS; SIGNALS AB Celerity-range models, where celerity is defined as the epicentral distance divided by the total traveltime (similar to the definition of group velocity for dispersed seismic surface waves), can be used for the association of infrasound automatic detections, for event location and for the validation of acoustic propagation simulations. Signals recorded from ground truth events are used to establish celerity-range models, but data coverage is uneven in both space and time. To achieve a high density of regional recordings we use data from USArray seismic stations recording air-to-ground coupled waves from explosions during the summers of 2004-2008 at the Utah Training and Test Range, in the western United States, together with data from five microbarograph arrays at regional distances (< 1000 km). We have developed a consistent methodology for analysing the infrasound and seismic data, including choosing filter characteristics from a limited group of two-octave wide filter bands and picking the maximum peak-to-peak arrival. We clearly observe tropospheric, thermospheric and stratospheric arrivals, in agreement with regional ray tracing models. Due to data availability and the dependence of infrasound propagation on the season, we develop three regional celerity-range models for the U.S. summer, with a total of 2211 data picks. The new models suggest event locations using the Geiger method could be improved in terms of both accuracy (up to 80 per cent closer to ground truth) and precision (error ellipse area reduced by > 90 per cent) when compared to those estimated using the global International Data Center model, particularly for events where stations detect arrivals at ranges < 350 km. Whilst adding data-based prior information into the Bayesian Infrasound Source Localization (BISL) method is also shown to increase precision, to increase accuracy, the parameter space must be expanded to include station-specific celerity distributions. C1 [Nippress, Alexandra; Green, David N.] AWE Blacknest, Reading RG7 4RS, Berks, England. [Marcillo, Omar E.; Arrowsmith, Stephen J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nippress, A (reprint author), AWE Blacknest, Reading RG7 4RS, Berks, England. EM alex@blacknest.gov.uk FU National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development; U.S. Department of Energy [DE-AC52-06NA24596]; National Science Foundation [EAR-0323309, EAR-0323311, EAR-0733069] FX OEM and SJA acknowledge the support of Leslie Casey and the National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development for funding this work. Los Alamos National Laboratory completed this work under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA24596. We thank the IRIS (Incorporated Research Institutions for Seismology) DMC for the availability of data used for the UTTR and Chelopechene locations and the Camp Minden explosion comparison. More information on the networks that collected these data are available at: http://www.fdsn.org/citation.htm. The TA network data from the USArray are freely available as part of the EarthScope USArray facility, operated by IRIS and supported by the National Science Foundation, under Cooperative Agreements EAR-0323309, EAR-0323311, EAR-0733069. Figures prepared using GMT (Wessel & Smith 1998). We thank two anonymous reviewers for comments which improved this paper. NR 33 TC 7 Z9 7 U1 1 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2014 VL 197 IS 2 BP 1154 EP 1165 DI 10.1093/gji/ggu049 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF5EK UT WOS:000334736600034 ER PT J AU Tan, SR Huang, LJ AF Tan, Sirui Huang, Lianjie TI An efficient finite-difference method with high-order accuracy in both time and space domains for modelling scalar-wave propagation SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Numerical solutions; Numerical approximations and analysis; Computational seismology; Wave propagation ID SYNTHETIC SEISMOGRAMS; EXPLORATION GEOPHYSICS; HETEROGENEOUS MEDIA; EQUATION; SCHEMES; DISPERSION; 4TH-ORDER; VELOCITY; STABILITY; WEIGHTS AB For modelling large-scale 3-D scalar-wave propagation, the finite-difference (FD) method with high-order accuracy in space but second-order accuracy in time is widely used because of its relatively low requirements of computer memory. We develop a novel staggered-grid (SG) FD method with high-order accuracy not only in space, but also in time, for solving 2- and 3-D scalar-wave equations. We determine the coefficients of the FD operator in the joint time-space domain to achieve high-order accuracy in time while preserving high-order accuracy in space. Our new FD scheme is based on a stencil that contains a few more grid points than the standard stencil. It is 2M-th-order accurate in space and fourth-order accurate in time when using 2M grid points along each axis and wavefields at one time step as the standard SGFD method. We validate the accuracy and efficiency of our new FD scheme using dispersion analysis and numerical modelling of scalar-wave propagation in 2- and 3-D complex models with a wide range of velocity contrasts. For media with a velocity contrast up to five, our new FD scheme is approximately two times more computationally efficient than the standard SGFD scheme with almost the same computer-memory requirement as the latter. Further numerical experiments demonstrate that our new FD scheme loses its advantages over the standard SGFD scheme if the velocity contrast is 10. However, for most large-scale geophysical applications, the velocity contrasts often range approximately from 1 to 3. Our new method is thus particularly useful for large-scale 3-D scalar-wave modelling and full-waveform inversion. C1 [Tan, Sirui; Huang, Lianjie] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA. RP Tan, SR (reprint author), Los Alamos Natl Lab, Geophys Grp, POB 1663, Los Alamos, NM 87545 USA. EM ljh@lanl.gov RI Tan, Sirui/H-9565-2015 OI Tan, Sirui/0000-0002-8150-3261 FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by U.S. Department of Energy through contract DE-AC52-06NA25396 to Los Alamos National Laboratory (LANL). The computation was performed using supercomputers of LANL's Institutional Computing Program. We thank Editor Dr Andrea Morelli, Reviewer Dr Peter Moczo and an anonymous reviewer for providing us with their valuable comments to improve the quality of the paper. NR 29 TC 24 Z9 26 U1 1 U2 14 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2014 VL 197 IS 2 BP 1250 EP 1267 DI 10.1093/gji/ggu077 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF5EK UT WOS:000334736600041 ER PT J AU Ning, FL Zhang, KN Wu, NY Zhang, L Li, G Jiang, GS Yu, YB Liu, L Qin, YH AF Ning, Fulong Zhang, Keni Wu, Nengyou Zhang, Ling Li, Gang Jiang, Guosheng Yu, Yibing Liu, Li Qin, Yinghong TI Invasion of drilling mud into gas-hydrate-bearing sediments. Part I: effect of drilling mud properties (vol 193, pg 1370, 2013) SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Correction C1 [Ning, Fulong; Zhang, Ling; Jiang, Guosheng; Yu, Yibing; Liu, Li; Qin, Yinghong] China Univ Geosci, Fac Engn, Wuhan 430074, Hubei, Peoples R China. [Ning, Fulong; Wu, Nengyou; Li, Gang] Chinese Acad Sci, Guangzhou Ctr Gas Hydrate Res, Guangzhou 510640, Guangdong, Peoples R China. [Zhang, Keni] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Syst Div, Berkeley, CA 94720 USA. [Zhang, Keni] Beijing Normal Univ, Coll Water Sci, Beijing 100875, Peoples R China. RP Ning, FL (reprint author), China Univ Geosci, Fac Engn, Wuhan 430074, Hubei, Peoples R China. EM nflzx@cug.edu.cn NR 2 TC 0 Z9 0 U1 8 U2 28 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2014 VL 197 IS 2 BP 1270 EP 1270 DI 10.1093/gji/ggu060 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF5EK UT WOS:000334736600044 ER PT J AU Ning, FL Wu, NY Yu, YB Zhang, KN Jiang, GS Zhang, L Sun, JX Zheng, MM AF Ning, Fulong Wu, Nengyou Yu, Yibing Zhang, Keni Jiang, Guosheng Zhang, Ling Sun, Jiaxin Zheng, Mingming TI Invasion of drilling mud into gas-hydrate-bearing sediments. Part II: effects of geophysical properties of sediments (vol 193, pg 1385, 2013) SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Correction C1 [Ning, Fulong; Yu, Yibing; Jiang, Guosheng; Zhang, Ling; Sun, Jiaxin; Zheng, Mingming] China Univ Geosci, Fac Engn, Wuhan 430074, Hubei, Peoples R China. [Ning, Fulong; Wu, Nengyou] Chinese Acad Sci, Guangzhou Ctr Gas Hydrate Res, Guangzhou 510640, Guangdong, Peoples R China. [Zhang, Keni] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Syst Div, Berkeley, CA 94720 USA. [Zhang, Keni] Beijing Normal Univ, Coll Water Sci, Beijing 100875, Peoples R China. RP Ning, FL (reprint author), China Univ Geosci, Fac Engn, Wuhan 430074, Hubei, Peoples R China. EM nflzx770803@163.com NR 1 TC 0 Z9 0 U1 6 U2 19 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2014 VL 197 IS 2 BP 1271 EP 1271 DI 10.1093/gji/ggu061 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF5EK UT WOS:000334736600045 ER PT J AU Singh, N Abiven, S Maestrini, B Bird, JA Torn, MS Schmidt, MWI AF Singh, Nimisha Abiven, Samuel Maestrini, Bernardo Bird, Jeffrey A. Torn, Margaret S. Schmidt, Michael W. I. TI Transformation and stabilization of pyrogenic organic matter in a temperate forest field experiment SO GLOBAL CHANGE BIOLOGY LA English DT Article DE soil organic matter; nitrogen deposition; 15N; density fractionation; priming effect; microbial biomass; 13C; pyrogenic organic matter; benzene polycarboxylic acids ID SOIL MICROBIAL BIOMASS; SLASH-AND-BURN; BENZENE POLYCARBOXYLIC ACIDS; BLACK CARBON CONTRIBUTION; FAST-PYROLYSIS BIOCHAR; COARSE WOODY DEBRIS; NITROGEN DEPOSITION; FUMIGATION EXTRACTION; DECIDUOUS FOREST; RHIZOSPHERE RESPIRATION AB Pyrogenic organic matter (PyOM) decomposes on centennial timescale in soils, but the processes regulating its decay are poorly understood. We conducted one of the first studies of PyOM and wood decomposition in a temperate forest using isotopically labeled organic substrate, and quantified microbial incorporation and physico-chemical transformations of PyOM in situ. Stable-isotope (C-13 and N-15) enriched PyOM and its precursor wood were added to the soil at 2cm depth at ambient (N0) and increased (N+) levels of nitrogen fertilization. The carbon (C) and nitrogen (N) of added PyOM or wood were tracked through soil to 15cm depth, in physically separated soil density fractions and in benzene polycarboxylic acids (BPCA) molecular markers. After 10months in situ, more PyOM-derived C (>99% of initial C-13-PyOM) and N (90% of initial N-15-PyOM) was recovered than wood derived C (48% of C-13-wood) and N (89% under N0 and 48% under N+). PyOM-C and wood-C migrated at the rate of 126mmyr(-1) with 3-4% of PyOM-C and 4-8% of wood-C recovered below the application depth. Most PyOM C was recovered in the free light fraction (fLF) (74%), with 20% in aggregate-occluded and 6% in mineral associated fractions - fractions that typically have much slower turnover times. In contrast, wood C was recovered mainly in occluded (33%) or dense fraction (27%). PyOM addition induced loss of native C from soil (priming effect), particularly in fLF (13%). The total BPCA-C content did not change but after 10months the degree of aromatic condensation of PyOM decreased, as determined by relative contribution of benzene hexa-carboxylic acid (B6CA) to the total BPCA C. Soil microbial biomass assimilated 6-10% of C from the wood, while PyOM contributions was negligible (0.14-0.18%). The addition of N had no effect on the dynamics of PyOM while limited effect on wood. C1 [Singh, Nimisha; Abiven, Samuel; Maestrini, Bernardo; Schmidt, Michael W. I.] Univ Zurich, Dept Geog, CH-8057 Zurich, Switzerland. [Bird, Jeffrey A.] CUNY Queens Coll, Sch Earth & Environm Sci, Flushing, NY 11367 USA. [Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Abiven, S (reprint author), Univ Zurich, Dept Geog, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM samuel.abiven@geo.uzh.ch RI Bird, Jeffrey/H-8751-2012; Torn, Margaret/D-2305-2015; Schmidt, Michael W. I./G-5186-2012; OI Bird, Jeffrey/0000-0002-0939-0637; Maestrini, Bernardo/0000-0002-9438-0678; Schmidt, Michael W. I./0000-0002-7227-0646; Abiven, Samuel/0000-0002-5663-0912 FU Swiss National Science Foundation (SNSF); Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the US Department of Energy [DE-AC02-05CH11231]; University of Zurich Research Priority Program (URPP) 'Global Change and Biodiversity' FX The Swiss National Science Foundation (SNSF) financially supported this study. This work was also supported by the Director, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231 to Berkeley Laboratory. This study was supported by the University of Zurich Research Priority Program (URPP) 'Global Change and Biodiversity'. We thank Sarah Bosch and Ryan Christinger for their help in setting the experimental field plots, and Ivan Woodhatch for the technical help and support in the setup. We also thank Michael Hilf, Bruno Kagi, and Claudia Schreiner for their assistance in various laboratory analyses carried at the University of Zurich. We further extend our thanks to Alois Zurcher for support in TOC analysis at the Institute for Forest, Snow and Landscape research (WSL). We would also like to acknowledge Dr. Rolf Siegwolf, Dr. Matthias Saurer, and Catharina Lotscher for support in the isotope analysis at Paul Scherrer Institute (PSI), Switzerland. We also extend our thanks to Dan Hawkes, Berkeley Laboratories for editing and proofreading this manuscript. We thank subject editor M. Francesca Cotrufo and two anonymous reviewers for their constructive comments on our manuscript. NR 117 TC 27 Z9 27 U1 16 U2 172 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD MAY PY 2014 VL 20 IS 5 BP 1629 EP 1642 DI 10.1111/gcb.12459 PG 14 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AE9WB UT WOS:000334361000021 PM 25544969 ER PT J AU Sturchio, NC Kuhlman, KL Yokochi, R Probst, PC Jiang, W Lu, ZT Mueller, P Yang, GM AF Sturchio, Neil C. Kuhlman, Kristopher L. Yokochi, Reika Probst, Peter C. Jiang, Wei Lu, Zheng-Tian Mueller, Peter Yang, Guo-Min TI Krypton-81 in groundwater of the Culebra Dolomite near the Waste Isolation Pilot Plant, New Mexico SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Krypton-81; Transport; Groundwater age; Flow model; Matrix diffusion ID SOUTHEASTERN NEW-MEXICO; TRACER TESTS; DIFFUSION-COEFFICIENTS; MASS-TRANSFER; WATER; AQUIFERS; KRYPTON; ROCK; USA; RADIONUCLIDES AB The Waste Isolation Pilot Plant (WIPP) in New Mexico is the first geologic repository for disposal of transuranic nuclear waste from defense-related programs of the US Department of Energy. It is constructed within halite beds of the Permian-age Salado Formation. The Culebra Dolomite, confined within Rustler Formation evaporites overlying the Salado Formation, is a potential pathway for radionuclide transport from the repository to the accessible environment in the human-disturbed repository scenario. Although extensive subsurface characterization and numerical flow modeling of groundwater has been done in the vicinity of the WIPP, few studies have used natural isotopic tracers to validate the flow models and to better understand solute transport at this site. The advent of Atom-Trap Trace Analysis (ATTA) has enabled routine measurement of cosmogenic Kr-81 (half-life 229,000 yr), a near-ideal tracer for long-term groundwater transport. We measured Kr-81 in saline groundwater sampled from two Culebra Dolomite monitoring wells near the WIPP site, and compared Kr-81 model ages with reverse particle-tracking results of well-calibrated flow models. The Kr-81 model ages are similar to 130,000 and similar to 330,000 yr for high-transmissivity and low-transmissivity portions of the formation, respectively. Compared with flow model results which indicate a relatively young mean hydraulic age (similar to 32,000 yr), the Kr-81 model ages imply substantial physical attenuation of conservative solutes in the Culebra Dolomite and provide limits on the effective diffusivity of contaminants into the confining aquitards. (C) 2014 Elsevier B.V. All rights reserved. C1 [Sturchio, Neil C.; Yokochi, Reika; Probst, Peter C.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. [Kuhlman, Kristopher L.] Sandia Natl Labs, Repository Performance Dept, Carlsbad, NM 88220 USA. [Yokochi, Reika] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Jiang, Wei; Lu, Zheng-Tian; Mueller, Peter; Yang, Guo-Min] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Lu, Zheng-Tian] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Lu, Zheng-Tian] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Yang, Guo-Min] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. RP Sturchio, NC (reprint author), 845 West Taylor St,MC-186, Chicago, IL 60607 USA. EM Sturchio@uic.edu RI Kuhlman, Kristopher/I-7283-2012; Jiang, Wei/E-5582-2011; Mueller, Peter/E-4408-2011 OI Kuhlman, Kristopher/0000-0003-3397-3653; Mueller, Peter/0000-0002-8544-8191 FU National Science Foundation, Hydrological Sciences Program at UIC [EAR-0409756]; U.S. Department of Energy; Office of Nuclear Physics at Argonne National Laboratory [DE-AC02-06CH11357]; WIPP programs; US Department of Energy's, National Nuclear Security Administration [DE-AC04-94AL85000] FX Supported by the National Science Foundation, Hydrological Sciences Program (Grant EAR-0409756) at UIC, the U.S. Department of Energy; Office of Nuclear Physics (Contract DE-AC02-06CH11357) at Argonne National Laboratory; and WIPP programs administered by the U.S. Department of Energy, Office of Environmental Management at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's, National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors are grateful for insightful comments provided by Axel Suckow and an anonymous reviewer. NR 45 TC 5 Z9 5 U1 1 U2 23 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 MAY PY 2014 VL 160 BP 12 EP 20 DI 10.1016/j.jconhyd.2014.02.002 PG 9 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA AF8OE UT WOS:000334974700002 PM 24594409 ER PT J AU Bliss, D Dupuis, R Wang, C Paskova, T Qiu, R Bhat, R Caneau, C AF Bliss, David Dupuis, Russell Wang, Chris Paskova, Tania Qiu, Roger Bhat, Raj Caneau, Catherine TI The 19th American Conference on Crystal Growth and Epitaxy in conjunction with The 16th US Biennial Workshop on Organometallic Vapor Phase Epitaxy Preface SO JOURNAL OF CRYSTAL GROWTH LA English DT Editorial Material C1 [Dupuis, Russell] Georgia Inst Technol, Atlanta, GA 30332 USA. [Wang, Chris] MIT, Lincoln Lab, Cambridge, MA 02139 USA. [Paskova, Tania] N Carolina State Univ, Raleigh, NC 27695 USA. [Qiu, Roger] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bhat, Raj; Caneau, Catherine] Corning Inc, Corning, NY USA. NR 0 TC 0 Z9 0 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 EI 1873-5002 J9 J CRYST GROWTH JI J. Cryst. Growth PD MAY 1 PY 2014 VL 393 BP 1 EP 1 DI 10.1016/j.jcrysgro.2013.12.025 PG 1 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA AE9OF UT WOS:000334336400001 ER PT J AU Cederberg, JG Albrecht, AR Ghasemkhani, M Melgaard, SD Sheik-Bahae, M AF Cederberg, J. G. Albrecht, A. R. Ghasemkhani, M. Melgaard, S. D. Sheik-Bahae, M. TI Growth and testing of vertical external cavity surface emitting lasers (VECSELs) for intracavity cooling of Yb:YLF SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 19th American Conference of Crystal Growth and Epitaxy (ACCGE-19) and the 16th Biennial Workshop on Organometallic Vapor Phase taxy (OMVPE-16) CY JUL 21-26, 2013 CL Keystone, CO DE Low press. Metalorganic vapor phase epitaxy; Quantum wells; Semiconducting III-V materials; Vertical external cavity surface emitting laser (VECSEL) ID THERMAL-CONDUCTIVITY; POWER AB Optically pumped vertical external cavity surface emitting lasers (VECSELs) have unique characteristics that make them attractive for use in intracavity optical cooling or rare earth doped crystals. We present the development of high power VECSELs at 1020 rim for cooling ytterbium-doped yttrium lithium fluoride (Yb:YLF). The VECSEL structures use AlAs/GaAs distributed Bragg reflectors and lnGaAs/GaAsP resonant periodic gain epitaxially grown by metal-organic vapor phase epitaxy. To achieve the necessary output power, we investigated thinning the substrate to improve the thermal characteristics. We demonstrated a VECSEL structure that was grown inverted, bonded to the heat sink, and the substrate removed by chemical etching. The inverted structure allows us to demonstrate 15 W output with 27% slope efficiency. Wavelength tuning of 30 nm around 1020 nm was achieved by inserting a birefringent quartz window into the cavity. The window also narrows the VECSEL emission, going from a FWHM of 5 nm to below 0.5 nm at a pump power of 40 W (C) 2013 Published by Elsevier B.V. C1 [Cederberg, J. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Albrecht, A. R.; Ghasemkhani, M.; Melgaard, S. D.; Sheik-Bahae, M.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. RP Cederberg, JG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jgceder@sandia.gov FU DARPA [10669320]; AFOSR (STTR program); AFROV University Small Grant; Sandia's Laboratory Directed Research and Development Office; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Work at UNM was supported by DARPA Grant 10669320, AFOSR (STTR program), and AFROV University Small Grant, VECSEL growth was supported by Sandia's Laboratory Directed Research and Development Office. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 9 TC 4 Z9 4 U1 5 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 EI 1873-5002 J9 J CRYST GROWTH JI J. Cryst. Growth PD MAY 1 PY 2014 VL 393 BP 28 EP 31 DI 10.1016/j.jcrysgro.2013.09.042 PG 4 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA AE9OF UT WOS:000334336400007 ER PT J AU Garcia, I France, RM Geisz, JF Simon, J AF Garcia, I. France, R. M. Geisz, J. F. Simon, J. TI Thin, high quality GaInP compositionally graded buffer layers grown at high growth rates for metamorphic III-V solar cell applications SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 19th American Conference of Crystal Growth and Epitaxy (ACCGE-19) and the 16th Biennial Workshop on Organometallic Vapor Phase taxy (OMVPE-16) CY JUL 21-26, 2013 CL Keystone, CO DE Stresses; Metalorganic vapor phase epitaxy; Phospides; Semiconducting III-V materials; Solar cells ID DISLOCATIONS; ELECTRON; STRAIN AB The metamorphic growth of lattice-mismatched materials has allowed optimizing the bandgap combination in multijunction solar cells for the solar spectrum under consideration. Buffer structures are used to accommodate the lattice-mismatch by introducing dislocations and relaxing the material in a controlled way. However, the metamorphic buffers typically involve significant growth time and material usage, which increases the cost of these solar cells. In this work, the thinning of buffer structures with continuously, linearly graded misfit is addressed with the goal of increasing the cost-effectiveness of metamorphic multijunction solar cells. The relaxation dynamics and quality of the buffer layers analyzed were assessed by in-situ stress measurements and ex-situ measurements of residual strain, threading dislocation density and surface roughness. Their ultimate quality has been tested using these buffers as templates for the growth of 1 eV Ga0.73In0.27As solar cells. The deleterious effect of thinning the grade layer of these buffer structures from 2 to 1 mu m was investigated. it is shown that prompting the relaxation of the buffer by using a stepwise misfit jump at the beginning of the grade layer improves the quality of the thinned buffer structure. The residual threading dislocation density of the optimized thin buffers, grown at a high growth rate of 7 mu m/h, is 3 x 10(6) cm(-2), and solar cells on these buffers exhibit near-icleal carrier collection efficiency and a V-oc of 0.62 V at 1-sun direct terrestrial spectrum. (C) 2013 Elsevier B.V. All rights reserved. C1 [Garcia, I.; France, R. M.; Geisz, J. F.; Simon, J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Garcia, I.] Univ Politecn Madrid, Inst Energia Solar, E-28040 Madrid, Spain. RP Garcia, I (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM ivan.garcia@nrel.gov RI Garcia, Ivan/L-1547-2014 OI Garcia, Ivan/0000-0002-9895-2020 FU IOF grant from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7) under REA Grant [299878]; Spanish Ministerio de Educacion; U.S. Department of Energy [DE-AC36-08-G028308]; National Renewable Energy Laboratory FX The authors acknowledge W. Olavarria and M. Young for the growth and fabrication of the devices used in this work; M. Romero, Harvey Guthrey and B. To for EBIC and AFM measurements; and B. McMahon, M. Steiner and D. Friedman for invaluable discussions. I. Garcia holds an IOF grant from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7/2007-2013) under REA Grant Agreement no. 299878. Previously, he held a Fullbright postdoctoral scholarship funded by the Spanish Ministerio de Educacion, by means of the Programa Nacional de Movilidad de Recursos Humanos del Plan Nacional de I + D + i 2008-2011. This work is supported by the U.S. Department of Energy under Contract no. DE-AC36-08-G028308 with the National Renewable Energy Laboratory. NR 20 TC 7 Z9 7 U1 0 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 EI 1873-5002 J9 J CRYST GROWTH JI J. Cryst. Growth PD MAY 1 PY 2014 VL 393 BP 64 EP 69 DI 10.1016/j.jcrysgro.2013.10.043 PG 6 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA AE9OF UT WOS:000334336400015 ER PT J AU Yuan, X Mahapatra, S Lang, M Pakin, S AF Yuan, Xin Mahapatra, Santosh Lang, Michael Pakin, Scott TI Static load-balanced routing for slimmed fat-trees SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Fat-tree; Static routing; Interconnect; Single-path routing ID NETWORKS AB Slimmed fat-trees have recently been proposed and deployed to reduce costs in High Performance Computing (HPC) clusters. While existing static routing schemes such as destination-mod-k (D-mod-k) routing are load-balanced and effective for full bisection bandwidth fat-trees, they incur significant load imbalance in many slimmed fat-trees. In this work, we propose a static load balanced routing scheme, called Round-Robin Routing (RRR), for 2- and 3-level extended generalized fat-trees (XGFTs), which represent many fat-tree variations including slimmed fat-trees. RRR achieves near perfect load-balancing for any such XGFT in that links at the same level of a tree carry traffic from almost the same number of source-destination pairs. Our evaluation results indicate that on many slimmed fat-trees, RRR is significantly better than D-mod-k for dense traffic patterns due to its better load-balancing property, but performs worse for sparse patterns. We develop a combined routing scheme that enjoys the strengths of both RRR and D-mod-k by using RRR in conjunction with D-mod-k. The combined routing is a robust load-balanced routing scheme for slimmed fat-trees: it performs similar to D-mod-k for sparse traffic patterns and to RRR for dense patterns. (C) 2014 Elsevier Inc. All rights reserved. C1 [Yuan, Xin; Mahapatra, Santosh] Florida State Univ, CSD, Tallahassee, FL 32306 USA. [Lang, Michael; Pakin, Scott] Los Alamos Natl Lab, Los Alamos, NM USA. RP Yuan, X (reprint author), Florida State Univ, CSD, Tallahassee, FL 32306 USA. EM xyuan@cs.fsu.edu; mahapatr@cs.fsu.edu; mlang@lanl.gov; pakin@lanl.gov OI Pakin, Scott/0000-0002-5220-1985 FU US Department of Energy [DE-FC02-06ER25750] FX This work was performed at the Ultra-scale Systems Research Center (USRC) at Los Alamos National Laboratory, supported by the US Department of Energy DE-FC02-06ER25750. NR 19 TC 2 Z9 2 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD MAY PY 2014 VL 74 IS 5 BP 2423 EP 2432 DI 10.1016/j.jpdc.2014.02.001 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA AF0HU UT WOS:000334395700009 ER PT J AU Armstrong, CR Ticknor, BW Hall, G Cadieux, JR AF Armstrong, Christopher R. Ticknor, Brian W. Hall, Gregory Cadieux, James R. TI Rapid separation and purification of uranium and plutonium from dilute-matrix samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Trace uranium; Trace plutonium; Environmental samples; Radiochemical separations; Safeguards ID ACTINIDES; ISOTOPES; PU AB This work describes a streamlined approach to the separation and purification of trace uranium and plutonium in environmental swipe samples that contain a small amount of collected bulk material. We describe key modifications to conventional techniques that result in a relatively rapid, safe, cost-effective, and efficient U and Pu separation process. Simulated samples were produced by loading appropriate U-235, U-238, and Pu-240 onto high purity cotton swipes. Uranium concentration and isotopic composition were measured by multi-collector inductively coupled mass spectrometry. Corresponding plutonium measurements were conducted with a three stage thermal ionization mass spectrometer. Quantitative U and Pu recoveries were observed with this method. C1 [Armstrong, Christopher R.; Ticknor, Brian W.; Hall, Gregory; Cadieux, James R.] Savannah River Natl Lab, Nonproliferat Technol Sect, Aiken, SC 29808 USA. RP Armstrong, CR (reprint author), Savannah River Natl Lab, Nonproliferat Technol Sect, Aiken, SC 29808 USA. EM christopher.armstrong@srnl.doe.gov RI Ticknor, Brian/M-2329-2016 OI Ticknor, Brian/0000-0002-2867-9073 FU Next Generation Safeguards Initiative; Office of Nonproliferation and International Security, at the Department of Energy's National Nuclear Security Administration FX This work is supported by the Next Generation Safeguards Initiative, Office of Nonproliferation and International Security, at the Department of Energy's National Nuclear Security Administration. The authors thank Myra Pettis for her assistance with the column work. NR 7 TC 3 Z9 3 U1 0 U2 10 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 MAY PY 2014 VL 300 IS 2 BP 859 EP 866 DI 10.1007/s10967-014-3070-9 PG 8 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AF1WX UT WOS:000334505700052 ER PT J AU Smith, RD AF Smith, Richard D. TI Honoring Dr. Jean H. Futrell SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Biographical-Item C1 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 NR 1 TC 0 Z9 0 U1 0 U2 3 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 MAY PY 2014 VL 25 IS 5 BP 699 EP 701 DI 10.1007/s13361-014-0829-8 PG 3 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA AF1ZY UT WOS:000334513600001 PM 24627182 ER PT J AU Novikov, V Avdashchenko, D Matovnikov, A Mitroshenkov, N Bud'ko, S AF Novikov, V. V. Avdashchenko, D. V. Matovnikov, A. V. Mitroshenkov, N. V. Bud'ko, S. L. TI Heat capacity and thermal expansion of icosahedral lutetium boride LuB66 SO JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY LA English DT Article DE Heat capacity; Thermal expansion; Low temperatures; Borides ID X-RAY MONOCHROMATOR; SYNCHROTRON-RADIATION; SINGLE-CRYSTALS; BORON; YB66 AB The experimental values of heat capacity and thermal expansion for lutetium boride LuB66 in the temperature range of 2-300 K were analysed in the Debye-Einstein approximation. It was found that the vibration of the boron sub-lattice can be considered within the Debye model with high characteristic temperatures; low-frequency vibration of weakly connected metal atoms is described by the Einstein model. C1 [Novikov, V. V.; Avdashchenko, D. V.; Matovnikov, A. V.; Mitroshenkov, N. V.] Petrovsky Bryansk State Univ, Bryansk 241036, Russia. [Bud'ko, S. L.] US DOE, Ames Lab, Ames, IA 50011 USA. [Bud'ko, S. L.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Matovnikov, A (reprint author), Petrovsky Bryansk State Univ, 14 Bezhitskaya St, Bryansk 241036, Russia. EM vvnovikov@mail.ru; avmatovnikov@yandex.ru; budko@ameslab.gov RI Novikov, Vladimir/D-3413-2011; Mitroshenkov, Nikolay/E-1912-2017 OI Novikov, Vladimir/0000-0003-2081-6691; Mitroshenkov, Nikolay/0000-0002-4418-9613 FU Ministry of Education and Science of the Russian Federation [14.B37.21.0886]; [14.124.13.7302-MK] FX The work was supported by the Ministry of Education and Science of the Russian Federation (Project 14.B37.21.0886) and the President Grant (Project 14.124.13.7302-MK). NR 24 TC 5 Z9 5 U1 1 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-6150 EI 1572-8943 J9 J THERM ANAL CALORIM JI J. Therm. Anal. Calorim. PD MAY PY 2014 VL 116 IS 2 BP 765 EP 769 DI 10.1007/s10973-013-3593-2 PG 5 WC Thermodynamics; Chemistry, Analytical; Chemistry, Physical SC Thermodynamics; Chemistry GA AF4NC UT WOS:000334688900029 ER PT J AU Xing, CH Folsom, C Jensen, C Ban, H Marshall, DW AF Xing, Changhu Folsom, Charles Jensen, Colby Ban, Heng Marshall, Douglas W. TI A correction scheme for thermal conductivity measurement using the comparative cut-bar technique based on 3D numerical simulation SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article DE thermal conductivity; guarded cut-bar technique; experimental measurement; numerical simulation; correction scheme ID HIGH-TEMPERATURES AB As an important factor affecting the accuracy of thermal conductivity measurement, systematic (bias) error in the guarded comparative axial heat flow (cut- bar) method was mostly neglected by previous researches. This bias is primarily due to the thermal conductivity mismatch between sample and meter bars (reference), which is common for a sample of unknown thermal conductivity. A correction scheme, based on finite element simulation of the measurement system, was proposed to reduce the magnitude of the overall measurement uncertainty. This scheme was experimentally validated by applying corrections on four types of sample measurements in which the specimen thermal conductivity is much smaller, slightly smaller, equal and much larger than that of the meter bar. As an alternative to the optimum guarding technique proposed before, the correction scheme can be used to minimize the uncertainty contribution from the measurement system with non- optimal guarding conditions. It is especially necessary for large thermal conductivity mismatches between sample and meter bars. C1 [Xing, Changhu; Folsom, Charles; Jensen, Colby; Ban, Heng] Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. [Marshall, Douglas W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Xing, CH (reprint author), Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. EM changhu.xing@usu.edu OI Jensen, Colby/0000-0001-8925-7758 FU US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; Department of Energy Nuclear Energy University Programs Graduate Fellowship FX The work is supported by US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office, contract DE-AC07-05ID14517. Work performed by Colby Jensen is supported under a Department of Energy Nuclear Energy University Programs Graduate Fellowship. NR 17 TC 1 Z9 1 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD MAY PY 2014 VL 25 IS 5 DI 10.1088/0957-0233/25/5/055602 PG 9 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AE9TD UT WOS:000334352000034 ER PT J AU Dexter, J McKinney, JC Markoff, S Tchekhovskoy, A AF Dexter, Jason McKinney, Jonathan C. Markoff, Sera Tchekhovskoy, Alexander TI Transient jet formation and state transitions from large-scale magnetic reconnection in black hole accretion discs SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; black hole physics; galaxies: jets; X-rays: binaries ID RELATIVISTIC MAGNETOHYDRODYNAMIC SIMULATIONS; X-RAY BINARIES; COLLAPSING STAR; FIELD GEOMETRY; RADIO JET; MECHANISM; FLOW; DISKS; SPIN; INSTABILITY AB Magnetically arrested accretion discs (MADs), where the magnetic pressure in the inner disc is dynamically important, provide an alternative mechanism for regulating accretion to what is commonly assumed in black hole systems. We show that a global magnetic field inversion in the MAD state can destroy the jet, significantly increase the accretion rate, and move the effective inner disc edge in to the marginally stable orbit. Reconnection of the MAD field in the inner radii launches a new type of transient outflow containing hot plasma generated by magnetic dissipation. This transient outflow can be as powerful as the steady magnetically dominated Blandford-Znajek jet in the MAD state. The field inversion qualitatively describes many of the observational features associated with the high-luminosity hard-to-soft state transition in black hole X-ray binaries: the jet line, the transient ballistic jet, and the drop in rms variability. These results demonstrate that the magnetic field configuration can influence the accretion state directly, and hence the magnetic field structure is an important second parameter in explaining observations of accreting black holes across the mass and luminosity scales. C1 [Dexter, Jason] Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. [McKinney, Jonathan C.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [McKinney, Jonathan C.] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Markoff, Sera] Astron Inst Anton Pannekoek, NL-1090 GE Amsterdam, Netherlands. [Tchekhovskoy, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Dexter, J (reprint author), Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. EM jdexter@berkeley.edu OI Dexter, Jason/0000-0003-3903-0373 FU NICS (Nautilus) [TG-PHY120005]; NASA through the Einstein Fellowship Program [PF3-140115] FX We thank R. Fender, E. Quataert, and P. Sharma for useful discussions related to this work. This work used NSF/XSEDE resources provided by NICS (Nautilus) under the award TG-PHY120005. AT was supported by NASA through the Einstein Fellowship Program, grant PF3-140115. NR 43 TC 20 Z9 20 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2185 EP 2190 DI 10.1093/mnras/stu581 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000021 ER PT J AU Shirazi, M Vegetti, S Nesvadba, N Allam, S Brinchmann, J Tucker, D AF Shirazi, M. Vegetti, S. Nesvadba, N. Allam, S. Brinchmann, J. Tucker, D. TI The physical nature of the 8 o'clock arc based on near-IR IFU spectroscopy with SINFONI SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: strong; galaxies: evolution; galaxies: formation; galaxies: high-redshift; galaxies: ISM; galaxies: kinematics and dynamics ID STAR-FORMING GALAXIES; SIMILAR-TO 2; LYMAN-BREAK GALAXIES; INTEGRAL-FIELD SPECTROSCOPY; MASS-METALLICITY RELATION; GRAVITATIONALLY LENSED GALAXIES; SPECTRAL ENERGY-DISTRIBUTION; SCALE GASEOUS OUTFLOWS; HIGH-REDSHIFT GALAXIES; EMISSION-LINE SPECTRA AB We present an analysis of near-infrared integral field unit spectroscopy of the 8 o'clock arc, a gravitationally lensed Lyman break galaxy, taken with SINFONI. We explore the shape of the spatially resolved H beta profile and demonstrate that we can decompose it into three components that partially overlap (spatially) but are distinguishable when we include dynamical information. We use existing B and H imaging from the Hubble Space Telescope to construct a rigorous lens model using a Bayesian grid-based lens modelling technique. We apply this lens model to the SINFONI data cube to construct the de-lensed H beta line-flux velocity and velocity dispersion maps of the galaxy. We find that the 8 o'clock arc has a complex velocity field that is not simply explained by a single rotating disc. The H beta profile of the galaxy shows a blueshifted wing suggesting gas outflows of similar to 200 km s(-1). We confirm that the 8 o'clock arc lies on the stellar mass-oxygen abundance-star formation rate plane found locally, but it has nevertheless significantly different gas surface density (a factor of 2-4 higher) and electron density in the ionized gas (five times higher) from those in similar nearby galaxies, possibly indicating a higher density interstellar medium for this galaxy. C1 [Shirazi, M.; Brinchmann, J.] Leiden Univ, Leiden Observ, NL-2300 RA Leiden, Netherlands. [Vegetti, S.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Vegetti, S.] Max Planck Inst Astrophys, D-85740 Garching, Germany. [Nesvadba, N.] Univ Paris 11, Inst Astrophys Spatiale, CNRS, UMR 8617, F-91405 Orsay, France. [Allam, S.; Tucker, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Allam, S.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. RP Shirazi, M (reprint author), Leiden Univ, Leiden Observ, POB 9513, NL-2300 RA Leiden, Netherlands. EM shirazi@strw.leidenuniv.nl RI Brinchmann, Jarle/M-2616-2015; OI Brinchmann, Jarle/0000-0003-4359-8797; Tucker, Douglas/0000-0001-7211-5729 FU Pappalardo Fellowship at MIT FX During part of this work, SV was supported by a Pappalardo Fellowship at MIT. NR 98 TC 6 Z9 6 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2201 EP 2221 DI 10.1093/mnras/stu316 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000023 ER PT J AU Tojeiro, R Ross, AJ Burden, A Samushia, L Manera, M Percival, WJ Beutler, F Brinkmann, J Brownstein, JR Cuesta, AJ Dawson, K Eisenstein, DJ Ho, S Howlett, C McBride, CK Montesano, F Olmstead, MD Parejko, JK Reid, B Sanchez, AG Schlegel, DJ Schneider, DP Tinker, JL Magana, MV White, M AF Tojeiro, Rita Ross, Ashley J. Burden, Angela Samushia, Lado Manera, Marc Percival, Will J. Beutler, Florian Brinkmann, J. Brownstein, Joel R. Cuesta, Antonio J. Dawson, Kyle Eisenstein, Daniel J. Ho, Shirley Howlett, Cullan McBride, Cameron K. Montesano, Francisco Olmstead, Matthew D. Parejko, John K. Reid, Beth Sanchez, Ariel G. Schlegel, David J. Schneider, Donald P. Tinker, Jeremy L. Magana, Mariana Vargas White, Martin TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: galaxy clustering measurements in the low-redshift sample of Data Release 11 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; cosmology: observations; distance scale; large-scale structure of Universe ID DIGITAL SKY SURVEY; LUMINOUS RED GALAXIES; POWER-SPECTRUM ANALYSIS; 1ST DATA RELEASE; MEASURING D-A; ACOUSTIC-OSCILLATIONS; SYSTEMATIC UNCERTAINTIES; STELLAR SPECTRA; SUPERNOVAE; DISTANCE AB We present the distance measurement to z = 0.32 using the eleventh data release (DR) of the Sloan Digital Sky Survey-III Baryon Acoustic Oscillation Survey (BOSS). We use 313 780 galaxies of the low-redshift (LOWZ) sample over 7341 square degrees to compute D-V = (1264 +/- 25)(r(d)/r(d),(fid)) - a sub 2 per cent measurement - using the baryon acoustic feature measured in the galaxy two-point correlation function and power spectrum. We compare our results to those obtained in DR10. We study observational systematics in the LOWZ sample and quantify potential effects due to photometric offsets between the northern and southern Galactic caps. We find the sample to be robust to all systematic effects found to impact on the targeting of higher redshift BOSS galaxies and that the observed north-south tensions can be explained by either limitations in photometric calibration or by sample variance, and have no impact on our final result. Our measurement, combined with the baryonic acoustic scale at z = 0.57, is used in Anderson et al. to constrain cosmological parameters. C1 [Tojeiro, Rita; Ross, Ashley J.; Burden, Angela; Samushia, Lado; Percival, Will J.; Howlett, Cullan] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Manera, Marc] UCL, London WC1E 6BT, England. [Beutler, Florian; Reid, Beth; Schlegel, David J.; White, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brinkmann, J.; Dawson, Kyle; Olmstead, Matthew D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Brownstein, Joel R.] Apache Point Observ, Sunspot, NM 88349 USA. [Cuesta, Antonio J.; Parejko, John K.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Cuesta, Antonio J.] Univ Barcelona, IEEC UB, Inst Ciencies Cosmos, E-08028 Barcelona, Spain. [Eisenstein, Daniel J.; McBride, Cameron K.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ho, Shirley; Magana, Mariana Vargas] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Montesano, Francisco; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Reid, Beth] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Tinker, Jeremy L.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. RP Tojeiro, R (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg,Burnaby Rd, Portsmouth PO1 3FX, Hants, England. EM rita.tojeiro@port.ac.uk RI White, Martin/I-3880-2015; OI White, Martin/0000-0001-9912-5070; Beutler, Florian/0000-0003-0467-5438; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470 FU European Research Council; Science & Technology Facilities Council; ICG; SEPNet; University of Portsmouth; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX RT is thankful for support from the European Research Council and the Science & Technology Facilities Council. Numerical computations were done on the Sciama High Performance Compute (HPC) cluster which is supported by the ICG, SEPNet and the University of Portsmouth.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the US Department of Energy Office of Science. The SDSS-III website is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 62 TC 45 Z9 45 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2222 EP 2237 DI 10.1093/mnras/stu371 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000024 ER PT J AU Marinucci, A Matt, G Kara, E Miniutti, G Elvis, M Arevalo, P Ballantyne, DR Balokovic, M Bauer, F Brenneman, L Boggs, SE Cappi, M Christensen, FE Craig, WW Fabian, AC Fuerst, F Hailey, CJ Harrison, FA Risaliti, G Reynolds, CS Stern, DK Walton, DJ Zhang, W AF Marinucci, A. Matt, G. Kara, E. Miniutti, G. Elvis, M. Arevalo, P. Ballantyne, D. R. Balokovic, M. Bauer, F. Brenneman, L. Boggs, S. E. Cappi, M. Christensen, F. E. Craig, W. W. Fabian, A. C. Fuerst, F. Hailey, C. J. Harrison, F. A. Risaliti, G. Reynolds, C. S. Stern, D. K. Walton, D. J. Zhang, W. TI Simultaneous NuSTAR and XMM-Newton 0.5-80 keV spectroscopy of the narrow-line Seyfert 1 galaxy SWIFT J2127.4+5654 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; galaxies: active; galaxies: individual: SWIFT J2127.4+5654; galaxies: Seyfert ID ACTIVE GALACTIC NUCLEI; BLACK-HOLE SPIN; HIGH-ENERGY OBSERVATIONS; PHOTON IMAGING CAMERA; RAY-EMITTING REGION; X-RAY; IRON K; BEPPOSAX OBSERVATIONS; REVERBERATION LAGS; COSMIC EVOLUTION AB We present a broad-band spectral analysis of the joint XMM-Newton and Nuclear Spectroscopic Telescope Array observational campaign of the narrow-line Seyfert 1 SWIFT J2127.4+5654, consisting of 300 ks performed during three XMM-Newton orbits. We detect a relativistic broadened iron K alpha line originating from the innermost regions of the accretion disc surrounding the central black hole, from which we infer an intermediate spin of a = 0.58(-0.17)(+0.11). The intrinsic spectrum is steep (Gamma = 2.08 +/- 0.01) as commonly found in narrow-line Seyfert 1 galaxies, while the cutoff energy (Ec = 108(-10)(+11)kev) falls within the range observed in broad-line Seyfert 1 galaxies. We measure a low-frequency lag that increases steadily with energy, while at high frequencies, there is a clear lag following the shape of the broad Fe K emission line. Interestingly, the observed Fe K lag in SWIFT J2127.4+5654 is not as broad as in other sources that have maximally spinning black holes. The lag amplitude suggests a continuum-to-reprocessor distance of about 10-20 r(g). These timing results independently support an intermediate black hole spin and a compact corona. C1 [Marinucci, A.; Matt, G.] Univ Roma Tre, Dipartimento Fis, I-00146 Rome, Italy. [Kara, E.; Fabian, A. C.] Univ Cambridge, Inst Astron, Cambridge CB3 OHA, England. [Miniutti, G.] Ctr Astrobiol CSIC INTA, Dep Astrofis, E-28691 Madrid, Spain. [Miniutti, G.] ESAC, E-28691 Madrid, Spain. [Elvis, M.; Brenneman, L.; Risaliti, G.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Arevalo, P.; Bauer, F.] Pontificia Univ Catolica Chile, Inst Astrofis, Santiago 22, Chile. [Ballantyne, D. R.] Georgia Inst Technol, Sch Phys, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Balokovic, M.; Fuerst, F.; Harrison, F. A.; Walton, D. J.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Cappi, M.] IASF Bologna, INAF, I-40129 Bologna, Italy. [Christensen, F. E.; Craig, W. W.] Tech Univ Denmark, DTU Space Natl Space Inst, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Risaliti, G.] Osserv Astrofis Arcetri, INAF, I-50125 Florence, Italy. [Reynolds, C. S.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Stern, D. K.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Marinucci, A (reprint author), Univ Roma Tre, Dipartimento Fis, Via Vasca Navale 84, I-00146 Rome, Italy. EM marinucci@fis.uniroma3.it RI Miniutti, Giovanni/L-2721-2014; Boggs, Steven/E-4170-2015; Cappi, Massimo/F-4813-2015; OI Miniutti, Giovanni/0000-0003-0707-4531; Boggs, Steven/0000-0001-9567-4224; Cappi, Massimo/0000-0001-6966-8920; Risaliti, Guido/0000-0002-3556-977X FU Italian Space Agency [ASI/INAFI/037/12/0-011/13]; European Union [312789]; Basal-CATA [PFB-06/2007]; CONICYT-Chile [FONDECYT 1101024]; Anillo ACT1101; International Fulbright Science and Technology Award; NASA [NNG08FD60C]; National Aeronautics and Space Administration FX We thank the referee for her/his comments and suggestions that greatly improved the paper. AM thanks Javier Garcia and Thomas Dauser for the efforts in producing XILLVER and RELXILL tables to use in this paper. AM and GM acknowledge financial support from Italian Space Agency under grant ASI/INAFI/037/12/0-011/13 and from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 312789. PA and FB acknowledge support from Basal-CATA PFB-06/2007 (FEB), CONICYT-Chile FONDECYT 1101024 (FEB) and Anillo ACT1101 (FEB, PA). MB acknowledges support from the International Fulbright Science and Technology Award. This work was supported under NASA Contract no. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NUSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). NR 69 TC 47 Z9 47 U1 1 U2 5 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2347 EP 2356 DI 10.1093/mnras/stu404 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000033 ER PT J AU Cisewski, J Croft, RAC Freeman, PE Genovese, CR Khandai, N Ozbek, M Wasserman, L AF Cisewski, Jessi Croft, Rupert A. C. Freeman, Peter E. Genovese, Christopher R. Khandai, Nishikanta Ozbek, Melih Wasserman, Larry TI Non-parametric 3D map of the intergalactic medium using the Lyman-alpha forest SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: statistical; intergalactic medium; quasars: absorption lines; large-scale structure of Universe ID PERSISTENT COSMIC WEB; FILAMENTARY STRUCTURE; POWER SPECTRUM; DATA RELEASE; SDSS-III; REGRESSION; BOSS; Z-SIMILAR-TO-2; TOPOLOGY; UNIVERSE AB Visualizing the high-redshift Universe is difficult due to the dearth of available data; however, the Lyman-alpha forest provides a means to map the intergalactic medium at redshifts not accessible to large galaxy surveys. Large-scale structure surveys, such as the Baryon Oscillation Spectroscopic Survey (BOSS), have collected quasar (QSO) spectra that enable the reconstruction of H i density fluctuations. The data fall on a collection of lines defined by the lines of sight (LOS) of the QSO, and a major issue with producing a 3D reconstruction is determining how to model the regions between the LOS. We present a method that produces a 3D map of this relatively uncharted portion of the Universe by employing local polynomial smoothing, a non-parametric methodology. The performance of the method is analysed on simulated data that mimics the varying number of LOS expected in real data, and then is applied to a sample region selected from BOSS. Evaluation of the reconstruction is assessed by considering various features of the predicted 3D maps including visual comparison of slices, probability density functions (PDFs), counts of local minima and maxima, and standardized correlation functions. This 3D reconstruction allows for an initial investigation of the topology of this portion of the Universe using persistent homology. C1 [Cisewski, Jessi; Freeman, Peter E.; Genovese, Christopher R.; Wasserman, Larry] Carnegie Mellon Univ, Dept Stat, Pittsburgh, PA 15213 USA. [Croft, Rupert A. C.; Ozbek, Melih] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Khandai, Nishikanta] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Cisewski, J (reprint author), Carnegie Mellon Univ, Dept Stat, Pittsburgh, PA 15213 USA. EM cisewski@stat.cmu.edu RI Croft, Rupert/N-8707-2014; OI Croft, Rupert/0000-0003-0697-2583; Freeman, Peter/0000-0001-9627-0053 FU National Science Foundation [DMS-1043903]; NSF [AST1109730, OCI-0749212] FX JC was partially supported by the National Science Foundation under Grant DMS-1043903. This work was also supported by NSF awards AST1109730 and OCI-0749212. This research was enabled by an allocation of advanced computing resources provided by the National Science Foundation. The large-scale computations were performed on the Kraken facility at the National Institute for Computational Sciences (http://www.nics.tennessee.edu). We thank Volker Springel and Tiziana Di Matteo for use of the P-GADGET simulation code and the simulation data used here. 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 National Science Foundation. NR 42 TC 5 Z9 5 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2599 EP 2609 DI 10.1093/mnras/stu475 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000052 ER PT J AU Saro, A Liu, J Mohr, JJ Aird, KA Ashby, MLN Bayliss, M Benson, BA Bleem, LE Bocquet, S Brodwin, M Carlstrom, JE Chang, CL Chiu, I Cho, HM Clocchiatti, A Crawford, TM Crites, AT de Haan, T Desai, S Dietrich, JP Dobbs, MA Dolag, K Dudley, JP Foley, RJ Gangkofner, D George, EM Gladders, MD Gonzalez, AH Halverson, NW Hennig, C Hlavacek-Larrondo, J Holzapfel, WL Hrubes, JD Jones, C Keisler, R Lee, AT Leitch, EM Lueker, M Luong-Van, D Mantz, A Marrone, DP McDonald, M McMahon, JJ Mehl, J Meyer, SS Mocanu, L Montroy, TE Murray, SS Nurgaliev, D Padin, S Patej, A Pryke, C Reichardt, CL Rest, A Ruel, J Ruhl, JE Saliwanchik, BR Sayre, JT Schaffer, KK Shirokoff, E Spieler, HG Stalder, B Staniszewski, Z Stark, AA Story, K van Engelen, A Vanderlinde, K Vieira, JD Vikhlinin, A Williamson, R Zahn, O Zenteno, A AF Saro, A. Liu, J. Mohr, J. J. Aird, K. A. Ashby, M. L. N. Bayliss, M. Benson, B. A. Bleem, L. E. Bocquet, S. Brodwin, M. Carlstrom, J. E. Chang, C. L. Chiu, I. Cho, H. M. Clocchiatti, A. Crawford, T. M. Crites, A. T. de Haan, T. Desai, S. Dietrich, J. P. Dobbs, M. A. Dolag, K. Dudley, J. P. Foley, R. J. Gangkofner, D. George, E. M. Gladders, M. D. Gonzalez, A. H. Halverson, N. W. Hennig, C. Hlavacek-Larrondo, J. Holzapfel, W. L. Hrubes, J. D. Jones, C. Keisler, R. Lee, A. T. Leitch, E. M. Lueker, M. Luong-Van, D. Mantz, A. Marrone, D. P. McDonald, M. McMahon, J. J. Mehl, J. Meyer, S. S. Mocanu, L. Montroy, T. E. Murray, S. S. Nurgaliev, D. Padin, S. Patej, A. Pryke, C. Reichardt, C. L. Rest, A. Ruel, J. Ruhl, J. E. Saliwanchik, B. R. Sayre, J. T. Schaffer, K. K. Shirokoff, E. Spieler, H. G. Stalder, B. Staniszewski, Z. Stark, A. A. Story, K. van Engelen, A. Vanderlinde, K. Vieira, J. D. Vikhlinin, A. Williamson, R. Zahn, O. Zenteno, A. TI Constraints on the CMB temperature evolution using multiband measurements of the Sunyaev-Zel'dovich effect with the South Pole Telescope SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: clusters: general; cosmic background radiation; cosmology: observations; cosmology: theory; submillimetre: general ID MICROWAVE BACKGROUND TEMPERATURE; PARTICLE HYDRODYNAMICS SIMULATIONS; 720 SQUARE DEGREES; GALAXY CLUSTERS; RADIATION TEMPERATURE; HIGH-REDSHIFT; T-CMB; COSMOLOGY; CATALOG; DEG(2) AB The adiabatic evolution of the temperature of the cosmic microwave background (CMB) is a key prediction of standard cosmology. We study deviations from the expected adiabatic evolution of the CMB temperature of the form T(z) = T-0(1 + z)(1 - alpha) using measurements of the spectrum of the Sunyaev-Zel'dovich effect with the South Pole Telescope (SPT). We present a method for using the ratio of the Sunyaev-Zel'dovich signal measured at 95 and 150 GHz in the SPT data to constrain the temperature of the CMB. We demonstrate that this approach provides unbiased results using mock observations of clusters from a new set of hydrodynamical simulations. We apply this method to a sample of 158 SPT-selected clusters, spanning the redshift range 0.05 < z < 1.35, and measure alpha = 0.017(-0.028)(+0.030), consistent with the standard model prediction of alpha = 0. In combination with other published results, we find alpha = 0.005 +/- 0.012, an improvement of similar to 10 per cent over published constraints. This measurement also provides a strong constraint on the effective equation of state in models of decaying dark energy w(eff) =-0.994 +/- 0.010. C1 [Saro, A.; Liu, J.; Mohr, J. J.; Bocquet, S.; Chiu, I.; Desai, S.; Dietrich, J. P.; Dolag, K.; Gangkofner, D.; Hennig, C.; Zenteno, A.] Univ Munich, Dept Phys, D-81679 Munich, Germany. [Saro, A.; Liu, J.; Mohr, J. J.; Bocquet, S.; Chiu, I.; Desai, S.; Dietrich, J. P.; Dolag, K.; Gangkofner, D.; Hennig, C.; Zenteno, A.] Excellence Cluster Universe, D-85748 Garching, Germany. [Mohr, J. J.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Aird, K. A.; Hrubes, J. D.; Luong-Van, D.] Univ Chicago, Chicago, IL 60637 USA. [Ashby, M. L. N.; Bayliss, M.; Jones, C.; Murray, S. S.; Stalder, B.; Stark, A. A.; Vikhlinin, A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Bayliss, M.; Nurgaliev, D.; Patej, A.; Ruel, J.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Benson, B. A.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Benson, B. A.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Crites, A. T.; Gladders, M. D.; Keisler, R.; Leitch, E. M.; Mantz, A.; Mehl, J.; Meyer, S. S.; Mocanu, L.; Padin, S.; Schaffer, K. K.; Story, K.; Williamson, R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Meyer, S. S.; Schaffer, K. K.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Bleem, L. E.; Carlstrom, J. E.; Keisler, R.; Meyer, S. S.; Story, K.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Brodwin, M.] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA. [Carlstrom, J. E.; Crawford, T. M.; Crites, A. T.; Gladders, M. D.; Leitch, E. M.; Mehl, J.; Meyer, S. S.; Mocanu, L.; Padin, S.; Williamson, R.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Cho, H. M.] NIST Quantum Devices Grp, Boulder, CO 80305 USA. [Clocchiatti, A.] Pontificia Univ Catolica Chile, Inst Astrofis, Macul Santiago 7820436, Chile. [de Haan, T.; Dobbs, M. A.; Dudley, J. P.; van Engelen, A.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Foley, R. J.; Vieira, J. D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Foley, R. J.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [George, E. M.; Holzapfel, W. L.; Lee, A. T.; Lueker, M.; Reichardt, C. L.; Shirokoff, E.; Zahn, O.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Gonzalez, A. H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Halverson, N. W.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Hlavacek-Larrondo, J.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Hlavacek-Larrondo, J.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Lee, A. T.; Spieler, H. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Lueker, M.; Padin, S.; Shirokoff, E.; Vieira, J. D.] CALTECH, Pasadena, CA 91125 USA. [Marrone, D. P.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [McDonald, M.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [McMahon, J. J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Montroy, T. E.; Ruhl, J. E.; Saliwanchik, B. R.; Sayre, J. T.; Staniszewski, Z.] Case Western Reserve Univ, Dept Phys, Ctr Educ & Res Cosmol & Astrophys, Cleveland, OH 44106 USA. [Pryke, C.] Univ Minnesota, Dept Phys, Minneapolis, MN 55455 USA. [Rest, A.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Schaffer, K. K.] Sch Art Inst Chicago, Liberal Arts Dept, Chicago, IL 60603 USA. [Vanderlinde, K.] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Vanderlinde, K.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. RP Saro, A (reprint author), Univ Munich, Dept Phys, Scheinerstr 1, D-81679 Munich, Germany. EM saro@usm.lmu.de RI Williamson, Ross/H-1734-2015; Holzapfel, William/I-4836-2015; OI Williamson, Ross/0000-0002-6945-2975; Marrone, Daniel/0000-0002-2367-1080; Aird, Kenneth/0000-0003-1441-9518; Reichardt, Christian/0000-0003-2226-9169; Dietrich, Jorg/0000-0002-8134-9591; Stern, Corvin/0000-0003-4406-6127; Stark, Antony/0000-0002-2718-9996 FU DFG [TR33]; National Science Foundation [ANT-0638937]; NSF Physics Frontier Center [PHY-0114422]; Kavli Foundation; Gordon and Betty Moore Foundation; NASA [PF2-130094]; NSF [AST-1009012, DGE-1144152, AST-1009649, MRI-0723073]; National Sciences and Engineering Research Council of Canada; Canada Research Chairs programme; Canadian Institute for Advanced Research FX The Munich SPT group is supported by the DFG through TR33 'The Dark Universe' and the Cluster of Excellence 'Origin and Structure of the Universe'. The South Pole Telescope programme is supported by the National Science Foundation through grant ANT-0638937. Partial support is also provided by the NSF Physics Frontier Center grant PHY-0114422 to the Kavli Institute of Cosmological Physics at the University of Chicago, by the Kavli Foundation and the Gordon and Betty Moore Foundation and by NASA grant number PF2-130094. Galaxy cluster research at Harvard is supported by NSF grants AST-1009012 and DGE-1144152. Galaxy cluster research at SAO is supported in part by NSF grants AST-1009649 and MRI-0723073. The McGill group acknowledges funding from the National Sciences and Engineering Research Council of Canada, Canada Research Chairs programme, and the Canadian Institute for Advanced Research. NR 48 TC 19 Z9 19 U1 1 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2610 EP 2615 DI 10.1093/mnras/stu575 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000053 ER PT J AU Sanchez, AG Montesano, F Kazin, EA Aubourg, E Beutler, F Brinkmann, J Brownstein, JR Cuesta, AJ Dawson, KS Eisenstein, DJ Ho, S Honscheid, K Manera, M Maraston, C McBride, CK Percival, WJ Ross, AJ Samushia, L Schlegel, DJ Schneider, DP Skibba, R Thomas, D Tinker, JL Tojeiro, R Wake, DA Weaver, BA White, M Zehavi, I AF Sanchez, Ariel G. Montesano, Francesco Kazin, Eyal A. Aubourg, Eric Beutler, Florian Brinkmann, Jon Brownstein, Joel R. Cuesta, Antonio J. Dawson, Kyle S. Eisenstein, Daniel J. Ho, Shirley Honscheid, Klaus Manera, Marc Maraston, Claudia McBride, Cameron K. Percival, Will J. Ross, Ashley J. Samushia, Lado Schlegel, David J. Schneider, Donald P. Skibba, Ramin Thomas, Daniel Tinker, Jeremy L. Tojeiro, Rita Wake, David A. Weaver, Benjamin A. White, Martin Zehavi, Idit TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: cosmological implications of the full shape of the clustering wedges in the data release 10 and 11 galaxy samples SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmological parameters; large-scale structure of Universe ID DIGITAL SKY SURVEY; LUMINOUS RED GALAXIES; MICROWAVE BACKGROUND ANISOTROPIES; POWER-SPECTRUM ANALYSIS; SOUTH-POLE TELESCOPE; PROBING DARK ENERGY; SPT-SZ SURVEY; ACOUSTIC-OSCILLATIONS; REDSHIFT SURVEYS; PARAMETER CONSTRAINTS AB We explore the cosmological implications of the angle-averaged correlation function, xi(s), and the clustering wedges, xi(perpendicular to)(s) and xi()(s), of the LOWZ and CMASS galaxy samples from Data Releases 10 and 11 of the Sloan Digital Sky Survey III (SDSS-III) Baryon Oscillation Spectroscopic Survey. Our results show no significant evidence for a deviation from the standard Lambda cold dark matter model. The combination of the information from our clustering measurements with recent data from the cosmic microwave background is sufficient to constrain the curvature of the Universe to (k) = 0.0010 +/- 0.0029, the total neutrino mass to Sigma m(nu) < 0.23 eV (95 per cent confidence level), the effective number of relativistic species to N-eff = 3.31 +/- 0.27 and the dark energy equation of state to w(DE) = -1.051 +/- 0.076. These limits are further improved by adding information from Type Ia supernovae and baryon acoustic oscillations from other samples. In particular, this data set combination is completely consistent with a time-independent dark energy equation of state, in which case we find w(DE) = -1.024 +/- 0.052. We explore the constraints on the growth rate of cosmic structures assuming f(z) = (m)(z)(gamma) and obtain gamma = 0.69 +/- 0.15, consistent with the predictions of general relativity of gamma = 0.55. C1 [Sanchez, Ariel G.; Montesano, Francesco] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. [Kazin, Eyal A.] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [Kazin, Eyal A.] ARC Ctr Excellence All Sky Astrophys CAASTRO, Redfern, NSW 2016, Australia. [Aubourg, Eric] Univ Paris Diderot, APC, CNRS IN2P3, CEA IRFU,Observ Paris,Sorbonne Paris Cite, Paris, France. [Beutler, Florian; Schlegel, David J.; White, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brinkmann, Jon] Apache Point Observ, Sunspot, NM 88349 USA. [Brownstein, Joel R.; Dawson, Kyle S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Cuesta, Antonio J.] Univ Barcelona, Inst Ciencies Cosmos, IEEC UB, E-08028 Barcelona, Spain. [Cuesta, Antonio J.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Eisenstein, Daniel J.; McBride, Cameron K.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ho, Shirley] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Ho, Shirley] Carnegie Mellon Univ, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Honscheid, Klaus] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Honscheid, Klaus] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Manera, Marc] UCL, London WC1E 6BT, England. [Manera, Marc; Maraston, Claudia; Percival, Will J.; Ross, Ashley J.; Samushia, Lado; Thomas, Daniel; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Skibba, Ramin] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Wake, David A.] Univ Wisconsin Madison, Dept Astron, Madison, WI 53706 USA. [Wake, David A.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England. [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. RP Sanchez, AG (reprint author), Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr, D-85741 Garching, Germany. EM arielsan@mpe.mpg.de RI White, Martin/I-3880-2015; OI White, Martin/0000-0001-9912-5070; Beutler, Florian/0000-0003-0467-5438; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470 FU Trans-regional Collaborative Research Centre TR33 'The Dark Universe' of the German Research Foundation (DFG); Australian Research Council Centre of Excellence for All-sky Astrophysics (CAASTRO) [CE110001020]; ICG; SEPNet; University of Portsmouth; ESA Member States; NASA; NASA Office of Space Science FX We would like to thank the referee, Will Sutherland, for his careful reading of our manuscript and his suggestions to improve the quality of the publication. AGS would like to thank Ximena Mazzalay for useful discussions. AGS and FM acknowledge support from the Trans-regional Collaborative Research Centre TR33 'The Dark Universe' of the German Research Foundation (DFG). EK is supported by the Australian Research Council Centre of Excellence for All-sky Astrophysics (CAASTRO), through project number CE110001020.; Numerical computations for the PTHALOS mocks were done on the Sciama High Performance Compute (HPC) cluster which is supported by the ICG, SEPNet and the University of Portsmouth.; This work is based on observations obtained with Planck (http://www.esa.int/Planck), an ESA science mission with instruments and contributions directly funded by ESA Member States, NASA and Canada. We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA). Support for LAMBDA is provided by the NASA Office of Space Science. NR 111 TC 45 Z9 45 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2692 EP 2713 DI 10.1093/mnras/stu342 PG 22 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000060 ER PT J AU Nordin, J Rubin, D Richard, J Rykoff, E Aldering, G Amanullah, R Atek, H Barbary, K Deustua, S Fakhouri, HK Fruchter, AS Goobar, A Hook, I Hsiao, EY Huang, X Kneib, JP Lidman, C Meyers, J Perlmutter, S Saunders, C Spadafora, AL Suzuki, N AF Nordin, J. Rubin, D. Richard, J. Rykoff, E. Aldering, G. Amanullah, R. Atek, H. Barbary, K. Deustua, S. Fakhouri, H. K. Fruchter, A. S. Goobar, A. Hook, I. Hsiao, E. Y. Huang, X. Kneib, J. -P. Lidman, C. Meyers, J. Perlmutter, S. Saunders, C. Spadafora, A. L. Suzuki, N. CA Supernova Cosmology Project TI Lensed Type Ia supernovae as probes of cluster mass models SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: strong; supernovae: general; galaxies: clusters: general; cosmology: observations; dark matter ID HUBBLE-SPACE-TELESCOPE; GALAXY CLUSTERS; DISTANT SUPERNOVAE; SHEET DEGENERACY; DARK-ENERGY; REDSHIFT; CONSTRAINTS; RECONSTRUCTION; DISCOVERY; COSMOLOGY AB Using three magnified Type Ia supernovae (SNe Ia) detected behind CLASH (Cluster Lensing and Supernovae with Hubble) clusters, we perform a first pilot study to see whether standardizable candles can be used to calibrate cluster mass maps created from strong lensing observations. Such calibrations will be crucial when next-generation Hubble Space Telescope cluster surveys (e.g. Frontier) provide magnification maps that will, in turn, form the basis for the exploration of the high-redshift Universe. We classify SNe using combined photometric and spectroscopic observations, finding two of the three to be clearly of Type Ia and the third probable. The SNe exhibit significant amplification, up to a factor of 1.7 at similar to 5 Sigma significance (SN-L2). We conducted this as a blind study to avoid fine-tuning of parameters, finding a mean amplification difference between SNe and the cluster lensing models of 0.09 +/- 0.09(stat) +/- 0.05(sys) mag. This impressive agreement suggests no tension between cluster mass models and high-redshift-standardized SNe Ia. However, the measured statistical dispersion of Sigma(mu) = 0.21 mag appeared large compared to the dispersion expected based on statistical uncertainties (0.14). Further work with the SN and cluster lensing models, post-unblinding, reduced the measured dispersion to Sigma(mu) = 0.12. An explicit choice should thus be made as to whether SNe are used unblinded to improve the model, or blinded to test the model. As the lensed SN samples grow larger, this technique will allow improved constraints on assumptions regarding e.g. the structure of the dark matter halo. C1 [Nordin, J.; Aldering, G.; Fakhouri, H. K.; Perlmutter, S.; Saunders, C.; Spadafora, A. L.] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Nordin, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Rubin, D.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Richard, J.] Univ Lyon 1, Ctr Rech Astron Lyon, F-69230 St Genis Laval, France. [Rykoff, E.] SLAC Natl Accelerator Lab, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Amanullah, R.; Goobar, A.] Stockholm Univ, Dept Phys, Oskar Klein Ctr, AlbaNova, SE-10691 Stockholm, Sweden. [Amanullah, R.; Goobar, A.] Stockholm Univ, Albanova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden. [Atek, H.; Kneib, J. -P.] EPFL, Observ Sauverny, Lab Astrophys, CH-1290 Versoix, Switzerland. [Barbary, K.] Argonne Natl Lab, Lemont, IL 60439 USA. [Deustua, S.; Fruchter, A. S.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Fakhouri, H. K.; Huang, X.; Perlmutter, S.; Saunders, C.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hook, I.] Univ Oxford, Dept Phys Astrophys, DWB, Oxford OX1 3RH, England. [Hook, I.] Osserv Astron Roma, INAF, I-00040 Rome, Italy. [Hsiao, E. Y.] Las Campanas Observ, Carnegie Observ, La Serena, Chile. [Huang, X.] Univ San Francisco, San Francisco, CA 94117 USA. [Kneib, J. -P.] Aix Marseille Univ, CNRS, LAM, UMR 7326, F-13388 Marseille, France. [Lidman, C.] Australian Astron Observ, Epping, NSW 1710, Australia. [Meyers, J.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Suzuki, N.] Univ Tokyo, Kavli Inst Phys & Math Universe IPMU, Kashiwa, Chiba 2778583, Japan. RP Nordin, J (reprint author), EO Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jnordin@lbl.gov RI Kneib, Jean-Paul/A-7919-2015; Perlmutter, Saul/I-3505-2015; Suzuki, Norihiro/J-5125-2013; EPFL, Physics/O-6514-2016; OI Kneib, Jean-Paul/0000-0002-4616-4989; Perlmutter, Saul/0000-0002-4436-4661; Suzuki, Norihiro/0000-0002-0399-6590; Hook, Isobel/0000-0002-2960-978X FU ERC advanced grant LiDA; CNRS; Marie Curie Career Integration Grant [294074]; Swedish Research Council; Swedish National Space Board; HST programme [GO/DD-12360]; Directory, Office of Science, Department of Energy [DE-AC02-05CH11231]; NASA [NAS 5-26555]; Gemini programme [GN-2012A-Q-19]; [088.A-0663(A)] FX We would like to acknowledge the CLASH team for planning and carrying out the survey that made this analysis possible, and Saurabh Jha and Brandon Patel for stimulating discussions. We are grateful to Jeffrey Silverman and Brad Cenko, who obtained the Keck ToO observations of SN-H1 (while observing for a PI: Filippenko programme). HA and JPK acknowledge support from the ERC advanced grant LiDA. JPK also acknowledges support from CNRS. JR is supported by the Marie Curie Career Integration Grant 294074. RA and AG acknowledge support from the Swedish Research Council and the Swedish National Space Board. This work was supported in part by the HST programme GO/DD-12360. This work was also partially supported by the Directory, Office of Science, Department of Energy, under grant DE-AC02-05CH11231. Based in part on observations made with the NASA/ESA HST, obtained from the data archive at the Space Telescope Institute. STScI is operated by the association of Universities for Research in Astronomy, Inc. under the NASA contract NAS 5-26555. The observations are associated with programme GO/DD-12360. ESO-VLT observations were made under programme ID 088.A-0663(A) (PI: Perlmutter). Keck observations were made under proposal U043. Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministerio da Ciencia, Tecnologia e Inovacao (Brazil), and Ministerio de Ciencia, Tecnologia e Innovacion Productiva (Argentina). Gemini programme ID GN-2012A-Q-19. NR 66 TC 15 Z9 15 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY PY 2014 VL 440 IS 3 BP 2742 EP 2754 DI 10.1093/mnras/stu376 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF5HG UT WOS:000334744000063 ER PT J AU Nielsen, J Fussenegger, M Keasling, J Lee, SY Liao, JC Prather, K Palsson, B AF Nielsen, Jens Fussenegger, Martin Keasling, Jay Lee, Sang Yup Liao, James C. Prather, Kristala Palsson, Bernhard TI Engineering synergy in biotechnology SO NATURE CHEMICAL BIOLOGY LA English DT Article ID ESCHERICHIA-COLI; STRAIN IMPROVEMENT; SYNTHETIC BIOLOGY; CONSTRUCTION; PATHWAYS; GENOME; SWITCH C1 [Nielsen, Jens; Keasling, Jay; Palsson, Bernhard] Tech Univ Denmark, Novo Nordisk Fdn, Ctr Biosustainabil, Horsholm, Denmark. [Nielsen, Jens] Chalmers, Dept Chem & Biol Engn, S-41296 Gothenburg, Sweden. [Nielsen, Jens] Royal Inst Technol, Sci Life Lab, Solna, Sweden. [Keasling, Jay] Joint Bioenergy Inst, Emeryville, CA USA. [Keasling, Jay] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Keasling, Jay] Synthet Biol Engn Res Ctr SynBERC, Berkeley, CA USA. [Lee, Sang Yup] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Taejon 305701, South Korea. [Lee, Sang Yup] Univ Calif San Diego, Dept Bioengn, La Jolla, CA 92093 USA. [Fussenegger, Martin] Swiss Fed Inst Technol, Dept Biosyst Sci & Engn, Basel, Switzerland. [Liao, James C.] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA USA. [Prather, Kristala] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Prather, Kristala] Synthet Biol Engn Res Ctr SynBERC, Cambridge, MA USA. RP Nielsen, J (reprint author), Tech Univ Denmark, Novo Nordisk Fdn, Ctr Biosustainabil, Horsholm, Denmark. EM nielsenj@chalmers.se RI Keasling, Jay/J-9162-2012; Lee, Sang Yup/C-1526-2011; OI Keasling, Jay/0000-0003-4170-6088; Lee, Sang Yup/0000-0003-0599-3091; Nielsen, Jens/0000-0002-9955-6003 NR 24 TC 44 Z9 45 U1 4 U2 86 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 MAY PY 2014 VL 10 IS 5 BP 319 EP 322 DI 10.1038/nchembio.1519 PG 4 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AF4HN UT WOS:000334672700001 PM 24743245 ER PT J AU Neale, NR AF Neale, Nathan R. TI SOLAR ENERGY Packing heat SO NATURE CHEMISTRY LA English DT News Item ID STORAGE; DEVICES C1 Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Neale, NR (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM nathan.neale@nrel.gov NR 8 TC 3 Z9 4 U1 1 U2 19 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD MAY PY 2014 VL 6 IS 5 BP 385 EP 386 DI 10.1038/nchem.1933 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA AF7UG UT WOS:000334919700007 PM 24755588 ER PT J AU Polinski, MJ Garner, EB Maurice, R Planas, N Stritzinger, JT Parker, TG Cross, JN Green, TD Alekseev, EV Van Cleve, SM Depmeier, W Gagliardi, L Shatruk, M Knappenberger, KL Liu, GK Skanthakumar, S Soderholm, L Dixon, DA Albrecht-Schmitt, TE AF Polinski, Matthew J. Garner, Edward B., III Maurice, Remi Planas, Nora Stritzinger, Jared T. Parker, T. Gannon Cross, Justin N. Green, Thomas D. Alekseev, Evgeny V. Van Cleve, Shelley M. Depmeier, Wulf Gagliardi, Laura Shatruk, Michael Knappenberger, Kenneth L. Liu, Guokui Skanthakumar, S. Soderholm, Lynda Dixon, David A. Albrecht-Schmitt, Thomas E. TI Unusual structure, bonding and properties in a californium borate SO NATURE CHEMISTRY LA English DT Article ID GAUSSIAN-BASIS SETS; ELECTRON LOCALIZATION; AQUA ION; APPROXIMATION; COORDINATION; SYSTEMS; NUMBER AB The participation of the valence orbitals of actinides in bonding has been debated for decades. Recent experimental and computational investigations demonstrated the involvement of 6p, 6d and/or 5f orbitals in bonding. However, structural and spectroscopic data, as well as theory, indicate a decrease in covalency across the actinide series, and the evidence points to highly ionic, lanthanide-like bonding for late actinides. Here we show that chemical differentiation between californium and lanthanides can be achieved by using ligands that are both highly polarizable and substantially rearrange on complexation. A ligand that suits both of these desired properties is polyborate. We demonstrate that the 5f, 6d and 7p orbitals are all involved in bonding in a Cf(III) borate, and that large crystal-field effects are present. Synthetic, structural and spectroscopic data are complemented by quantum mechanical calculations to support these observations. C1 [Polinski, Matthew J.; Stritzinger, Jared T.; Parker, T. Gannon; Cross, Justin N.; Green, Thomas D.; Shatruk, Michael; Knappenberger, Kenneth L.; Albrecht-Schmitt, Thomas E.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Garner, Edward B., III; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, PR 35487 USA. [Maurice, Remi; Planas, Nora; Gagliardi, Laura] Univ Minnesota, Dept Chem, Supercomp Inst, Minneapolis, MN 55455 USA. [Maurice, Remi; Planas, Nora; Gagliardi, Laura] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA. [Maurice, Remi] Univ Nantes, Inst Natl Phys Nucl & Phys Particules, Ctr Natl Rech Sci,Ecole Mines Nantes, SUBATECH,Unite Mixte Rech 6457, F-44307 Nantes 3, France. [Alekseev, Evgeny V.] Forschungszentrum Julich, Inst Energy & Climate Res IEK 6, D-52428 Julich, Germany. [Alekseev, Evgeny V.] Rhein Westfal Tech Hsch Aachen Univ, Inst Kristallog, D-52066 Aachen, Germany. [Van Cleve, Shelley M.] Oak Ridge Natl Lab, Nucl Mat Proc Grp, Oak Ridge, TN 37830 USA. [Depmeier, Wulf] Univ Kiel, Inst Geowissensch, D-24118 Kiel, Germany. [Liu, Guokui; Skanthakumar, S.; Soderholm, Lynda] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Polinski, MJ (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. EM albrecht-schmitt@chem.fsu.edu OI Alekseev, Evgeny/0000-0002-4919-5211; Cross, Justin/0000-0003-1881-155X FU Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, Heavy Elements Chemistry Program, US Department of Energy [DE-SC0002215, DE-FG02-13ER16414, DE-SC002183, DE-AC02-06CH11357]; National Science Foundation [DMR-0955353]; Helmholtz Association [VH-NG-815] FX We are grateful for support provided by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, Heavy Elements Chemistry Program, US Department of Energy under Grants DE-SC0002215, DE-FG02-13ER16414, DE-SC002183 (N.P., R. M. and L. G.), and DE-AC02-06CH11357 (D. A. D., G. L. and L. S.), and for support from the National Science Foundation CAREER award DMR-0955353 (M. S.). Collaborative work is supported via the Helmholtz Association, Grant Number VH-NG-815. The 249Cf was provided to Florida State University via the Isotope Development and Production for Research and Applications Program through the Radiochemical Engineering and Development Center at ORNL and was purchased via the Gregory R. Choppin Chair Endowment. NR 37 TC 23 Z9 23 U1 6 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 MAY PY 2014 VL 6 IS 5 BP 387 EP 392 DI 10.1038/NCHEM.1896 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AF7UG UT WOS:000334919700008 PM 24755589 ER PT J AU Megiatto, JD Mendez-Hernandez, DD Tejeda-Ferrari, ME Teillout, AL Llansola-Portoles, MJ Kodis, G Poluektov, OG Rajh, T Mujica, V Groy, TL Gust, D Moore, TA Moore, AL AF Megiatto, Jackson D., Jr. Mendez-Hernandez, Dalvin D. Tejeda-Ferrari, Marely E. Teillout, Anne-Lucie Llansola-Portoles, Manuel J. Kodis, Gerdenis Poluektov, Oleg G. Rajh, Tijana Mujica, Vladimiro Groy, Thomas L. Gust, Devens Moore, Thomas A. Moore, Ana L. TI A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II SO NATURE CHEMISTRY LA English DT Article ID COUPLED ELECTRON-TRANSFER; HIGH-FIELD EPR; RIBONUCLEOTIDE REDUCTASE; PHENOXYL RADICALS; WATER OXIDATION; HYDROGEN-BONDS; SURFACE MODIFICATION; CRYSTAL-STRUCTURE; TYROSYL RADICALS; ACTIVE TYROSINES AB In water-oxidizing photosynthetic organisms, light absorption generates a powerfully oxidizing chlorophyll complex (P680(center dot+)) in the photosystem II reaction centre. This is reduced via an electron transfer pathway from the manganese-containing water-oxidizing catalyst, which includes an electron transfer relay comprising a tyrosine (Tyr)-histidine (His) pair that features a hydrogen bond between a phenol group and an imidazole group. By rapidly reducing P680(center dot+), the relay is thought to mitigate recombination reactions, thereby ensuring a high quantum yield of water oxidation. Here, we show that an artificial reaction centre that features a benzimidazole-phenol model of the Tyr-His pair mimics both the short-internal hydrogen bond in photosystem II and, using electron paramagnetic resonance spectroscopy, the thermal relaxation that accompanies proton-coupled electron transfer. Although this artificial system is much less complex than the natural one, theory suggests that it captures the essential features that are important in the function of the relay. C1 [Megiatto, Jackson D., Jr.; Mendez-Hernandez, Dalvin D.; Tejeda-Ferrari, Marely E.; Teillout, Anne-Lucie; Llansola-Portoles, Manuel J.; Kodis, Gerdenis; Mujica, Vladimiro; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Ana L.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Poluektov, Oleg G.; Rajh, Tijana] Argonne Natl Lab, NanoBio Interface Grp, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Poluektov, Oleg G.; Rajh, Tijana] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Teillout, Anne-Lucie] Univ Paris 11, CNRS, UMR 8000, Lab Chim Phys,Grp Electrochim & Photoelectrochim, F-91405 Orsay, France. RP Megiatto, JD (reprint author), Campinas State Univ UNICAMP, Inst Chem, POB 6154, BR-13084861 Campinas, SP, Brazil. EM amoore@asu.edu OI Llansola-Portoles, Manuel Jose/0000-0002-8065-9459 FU Center for Bio-Inspired Solar Fuel Production, an Energy Frontier Research Cente; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001016, DE-AC02-06CH11357]; National Science Foundation Graduate Research Fellowship Program (NSF-GRFP) [DGE-0802261]; More Graduate Education at Mountain States Alliance (MGE@MSA); Alliance for Graduate Education and the Professoriate (AGEP); National Science Foundation [HRD-0450137]; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357] FX This work was supported as part of the Center for Bio-Inspired Solar Fuel Production, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (award DE-SC0001016). D. D. M. H. was supported by the National Science Foundation Graduate Research Fellowship Program (NSF-GRFP; grant no. DGE-0802261), by the More Graduate Education at Mountain States Alliance (MGE@MSA) and by the Alliance for Graduate Education and the Professoriate (AGEP), National Science Foundation Cooperative agreement no. HRD-0450137. The high-frequency EPR work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences (contract no. DE-AC02-06CH11357, O.G.P.). The work performed at the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (contract no. DE-AC02-06CH11357). NR 45 TC 36 Z9 36 U1 6 U2 102 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD MAY PY 2014 VL 6 IS 5 BP 423 EP 428 DI 10.1038/NCHEM.1862 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AF7UG UT WOS:000334919700013 PM 24755594 ER PT J AU Ritchie, RO AF Ritchie, Robert O. TI NATURAL MATERIALS Armoured oyster shells SO NATURE MATERIALS LA English DT News Item ID DERMAL ARMOR C1 [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 10 TC 9 Z9 9 U1 1 U2 52 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD MAY PY 2014 VL 13 IS 5 BP 435 EP 437 DI 10.1038/nmat3956 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA AF6ST UT WOS:000334845600012 PM 24751771 ER PT J AU Rice, WD Ambwani, P Bombeck, M Thompson, JD Haugstad, G Leighton, C Crooker, SA AF Rice, W. D. Ambwani, P. Bombeck, M. Thompson, J. D. Haugstad, G. Leighton, C. Crooker, S. A. TI Persistent optically induced magnetism in oxygen-deficient strontium titanate SO NATURE MATERIALS LA English DT Article ID OXIDE INTERFACES; LAALO3/SRTIO3 INTERFACE; DOPED SRTIO3; SUPERCONDUCTIVITY; FERROMAGNETISM; PHOTOCHROMISM; ELECTRONICS; COEXISTENCE; TRANSITION; CENTERS AB Strontium titanate (SrTiO3) is a foundational material in the emerging field of complex oxide electronics. Although its bulk electronic and optical properties are rich and have been studied for decades, SrTiO3 has recently become a renewed focus of materials research catalysed in part by the discovery of superconductivity and magnetism at interfaces between SrTiO3 and other non-magnetic oxides. Here we illustrate a new aspect to the phenomenology of magnetism in SrTiO3 by reporting the observation of an optically induced and persistent magnetization in slightly oxygen-deficient bulk SrTiO3-delta crystals using magnetic circular dichroism (MCD) spectroscopy and SQUID magnetometry. This zero-field magnetization appears below similar to 18 K, persists for hours below 10 K, and is tunable by means of the polarization and wavelength of sub-bandgap (400-500 nm) light. These effects occur only in crystals containing oxygen vacancies, revealing a detailed interplay between magnetism, lattice defects, and light in an archetypal complex oxide material. C1 [Rice, W. D.; Crooker, S. A.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Ambwani, P.; Leighton, C.] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. [Bombeck, M.] Tech Univ Dortmund, D-44227 Dortmund, Germany. [Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Haugstad, G.] Univ Minnesota, Characterizat Facil, Minneapolis, MN 55455 USA. RP Crooker, SA (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. EM crooker@lanl.gov FU Los Alamos LDRD program under the US DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; NSF [DMR-0804432]; MRSEC Program of the NSF [DMR-0819885] FX We thank D. L. Smith, Q. Jia, A. V. Balatsky and P. Littlewood for helpful discussions. Student support from M. Bayer (TU-Dortmund) is gratefully acknowledged. This work was supported by the Los Alamos LDRD program under the auspices of the US DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Work at UMN supported in part by the NSF under DMR-0804432 and in part by the MRSEC Program of the NSF under DMR-0819885. NR 46 TC 33 Z9 33 U1 9 U2 147 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD MAY PY 2014 VL 13 IS 5 BP 481 EP 487 DI 10.1038/NMAT3914 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA AF6ST UT WOS:000334845600019 PM 24658116 ER PT J AU Wang, Y Wang, S Oliva, E Li, L Berrill, M Yin, L Nejdl, J Luther, BM Proux, C Le, TTT Dunn, J Ros, D Zeitoun, P Rocca, JJ AF Wang, Y. Wang, S. Oliva, E. Li, L. Berrill, M. Yin, L. Nejdl, J. Luther, B. M. Proux, C. Le, T. T. T. Dunn, J. Ros, D. Zeitoun, Ph. Rocca, J. J. TI Gain dynamics in a soft-X-ray laser amplifier perturbed by a strong injected X-ray field SO NATURE PHOTONICS LA English DT Article ID 13.9 NM; COHERENT; AMPLIFICATION; GENERATION AB Seeding soft-X-ray plasma amplifiers with high harmonics has been demonstrated to generate high-brightness soft-X-ray laser pulses with full spatial and temporal coherence(1-3). The interaction between the injected coherent field and the swept-gain medium has been modelled(4,5). However, no experiment has been conducted to probe the gain dynamics when perturbed by a strong external seed field. Here, we report the first X-ray pump-X-ray probe measurement of the nonlinear response of a plasma amplifier perturbed by a strong softX- ray ultra-short pulse. We injected a sequence of two timedelayed high-harmonic pulses (lambda = 18.9 nm) into a collisionally excited nickel-like molybdenum plasma to measure with femtosecond resolution the gain depletion induced by the saturated amplification of the high-harmonic pump and its subsequent recovery. The measured fast gain recovery in 1.5-1.75 ps confirms the possibility to generate ultra-intense, fully phasecoherent soft-X-ray lasers by chirped pulse amplification in plasma amplifiers(6). C1 [Wang, Y.; Wang, S.; Yin, L.; Nejdl, J.; Luther, B. M.; Rocca, J. J.] Colorado State Univ, Natl Sci Fdn, Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA. [Oliva, E.; Le, T. T. T.; Ros, D.] Univ Paris 11, UMR CNRS 8578, Lab Phys Gaz & Plasmas, F-91405 Orsay, France. [Li, L.; Proux, C.; Zeitoun, Ph.] Ecole Polytech, CNRS, Lab Opt Appl, ENSTA,UMR 7639, F-91128 Palaiseau, France. [Li, L.] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China. [Berrill, M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dunn, J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Zeitoun, P (reprint author), Ecole Polytech, CNRS, Lab Opt Appl, ENSTA,UMR 7639, 828 Blvd Marechaux, F-91128 Palaiseau, France. EM philippe.zeitoun@ensta-paristech.fr; rocca@engr.colostate.edu RI Nejdl, Jaroslav/G-5995-2014; Oliva, Eduardo/P-4348-2014; OI Oliva, Eduardo/0000-0003-2284-0927; Berrill, Mark/0000-0002-4525-3939 FU AMOS programme of the Office of Basic Energy Sciences; US Department of Energy; NSF ERC for Extreme Ultraviolet Science and Technology [MRI-ARRA 09-561]; LASERLAB3-INREX European project; SHYLAX plus CIBOR RTRA "Triangle de la Physique" programmes FX The authors thank M. Fajardo and S. Sebban for discussions. This work was supported by the AMOS programme of the Office of Basic Energy Sciences, US Department of Energy, using equipment developed at the NSF ERC for Extreme Ultraviolet Science and Technology (NSF award MRI-ARRA 09-561) and by the LASERLAB3-INREX European project and SHYLAX plus CIBOR RTRA "Triangle de la Physique" programmes. NR 29 TC 11 Z9 11 U1 2 U2 33 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD MAY PY 2014 VL 8 IS 5 BP 381 EP 384 DI 10.1038/nphoton.2014.79 PG 4 WC Optics; Physics, Applied SC Optics; Physics GA AF9CC UT WOS:000335011700012 ER PT J AU Meinardi, F Colombo, A Velizhanin, KA Simonutti, R Lorenzon, M Beverina, L Viswanatha, R Klimov, VI Brovelli, S AF Meinardi, Francesco Colombo, Annalisa Velizhanin, Kirill A. Simonutti, Roberto Lorenzon, Monica Beverina, Luca Viswanatha, Ranjani Klimov, Victor I. Brovelli, Sergio TI Large-area luminescent solar concentrators based on 'Stokes-shift-engineered' nanocrystals in a mass-polymerized PMMA matrix SO NATURE PHOTONICS LA English DT Article ID QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; AUGER RECOMBINATION; POLY(METHYL METHACRYLATE); COLLOIDAL NANOCRYSTALS; DOPED NANOCRYSTALS; OPTICAL-PROPERTIES; CDSE NANOCRYSTALS; PHOTOVOLTAICS; COMPOSITES AB Luminescent solar concentrators are cost-effective complements to semiconductor photovoltaics that can boost the output of solar cells and allow for the integration of photovoltaic-active architectural elements into buildings (for example, photovoltaic windows). Colloidal quantum dots are attractive for use in luminescent solar concentrators, but their small Stokes shift results in reabsorption losses that hinder the realization of large-area devices. Here, we use 'Stokes-shiftengineered' CdSe/CdS quantum dots with giant shells (giant quantum dots) to realize luminescent solar concentrators without reabsorption losses for device dimensions up to tens of centimetres. Monte-Carlo simulations show a 100-fold increase in efficiency using giant quantum dots compared with core-only nanocrystals. We demonstrate the feasibility of this approach by using high-optical-quality quantum dot-polymethylmethacrylate nanocomposites fabricated using a modified industrial method that preserves the light-emitting properties of giant quantum dots upon incorporation into the polymer. Study of these luminescent solar concentrators yields optical efficiencies > 10% and an effective concentration factor of 4.4. These results demonstrate the significant promise of Stokes-shift-engineered quantum dots for large-area luminescent solar concentrators. C1 [Meinardi, Francesco; Colombo, Annalisa; Simonutti, Roberto; Lorenzon, Monica; Beverina, Luca; Brovelli, Sergio] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy. [Velizhanin, Kirill A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Velizhanin, Kirill A.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Los Alamos, NM 87545 USA. [Viswanatha, Ranjani] Jawaharlal Nehru Ctr Adv Sci Res, New Chem Unit, Bangalore 560064, Karnataka, India. [Viswanatha, Ranjani] Jawaharlal Nehru Ctr Adv Sci Res, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India. [Viswanatha, Ranjani; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Meinardi, F (reprint author), Univ Milano Bicocca, Dipartimento Sci Mat, Via Cozzi 55, I-20125 Milan, Italy. EM francesco.meinardi@unimib.it; klimov@lanl.gov; sergio.brovelli@unimib.it RI Velizhanin, Kirill/C-4835-2008; OI Klimov, Victor/0000-0003-1158-3179 FU Cariplo Foundation [2012-0844, 2010-0564]; Center for Advanced Solar Photophysics; Energy Frontier Research Center funded by the Office of Basic Energy Sciences; Office of Science; US Department of Energy; European Community's Seventh Framework Programme [324603] FX S. B. and F. M. acknowledge support from the Cariplo Foundation (2012-0844), as do L.B. and R.S. (2010-0564). V.I.K.,K.A.V. and R.V. were supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the Office of Basic Energy Sciences, Office of Science, US Department of Energy. S. B. thanks the European Community's Seventh Framework Programme (FP7/2007-2013; grant agreement no. 324603) for financial support. The authors thank M. Acciarri of the MIB-SOLAR laboratory for technical assistance in quantitative studies of solar concentration. NR 45 TC 138 Z9 138 U1 32 U2 235 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD MAY PY 2014 VL 8 IS 5 BP 392 EP 399 DI 10.1038/nphoton.2014.54 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA AF9CC UT WOS:000335011700014 ER PT J AU Rinke, C Lee, J Nath, N Goudeau, D Thompson, B Poulton, N Dmitrieff, E Malmstrom, R Stepanauskas, R Woyke, T AF Rinke, Christian Lee, Janey Nath, Nandita Goudeau, Danielle Thompson, Brian Poulton, Nicole Dmitrieff, Elizabeth Malmstrom, Rex Stepanauskas, Ramunas Woyke, Tanja TI Obtaining genomes from uncultivated environmental microorganisms using FACS-based single-cell genomics SO NATURE PROTOCOLS LA English DT Article ID MULTIPLE DISPLACEMENT AMPLIFICATION; RIBOSOMAL-RNA SEQUENCES; MICROBIAL COMMUNITIES; BACTERIA; 16S; GENES; IDENTIFICATION; METABOLISM; PHYLOGENY; DIVERSITY AB Single-cell genomics is a powerful tool for exploring the genetic makeup of environmental microorganisms, the vast majority of which are difficult, if not impossible, to cultivate with current approaches. Here we present a comprehensive protocol for obtaining genomes from uncultivated environmental microbes via high-throughput single-cell isolation by FACS. The protocol encompasses the preservation and pretreatment of differing environmental samples, followed by the physical separation, lysis, whole-genome amplification and 16S rRNA-based identification of individual bacterial and archaeal cells. The described procedure can be performed with standard molecular biology equipment and a FACS machine. It takes < 12 h of bench time over a 4-d time period, and it generates up to 1 mu g of genomic DNA from an individual microbial cell, which is suitable for downstream applications such as PCR amplification and shotgun sequencing. The completeness of the recovered genomes with an average of similar to 50%. C1 [Rinke, Christian; Lee, Janey; Nath, Nandita; Goudeau, Danielle; Malmstrom, Rex; Woyke, Tanja] Joint Genome Inst, Dept Energy DOE, Walnut Creek, CA 94598 USA. [Thompson, Brian; Poulton, Nicole; Dmitrieff, Elizabeth; Stepanauskas, Ramunas] Bigelow Lab Ocean Sci, East Boothbay, ME USA. RP Woyke, T (reprint author), Joint Genome Inst, Dept Energy DOE, Walnut Creek, CA 94598 USA. EM twoyke@lbl.gov OI Stepanauskas, Ramunas/0000-0003-4458-3108; Rinke, Christian/0000-0003-4632-1187 FU Office of Science of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [OCE-1232982, OCE-821374, EF-0633142, EF-826924, MCB-738232] FX The work conducted by the US DOE Joint Genome Institute is supported by the Office of Science of the US Department of Energy under contract no. DE-AC02-05CH11231. Work conducted by Bigelow Laboratory for Ocean Sciences is supported by National Science Foundation grants OCE-1232982, OCE-821374, EF-0633142, EF-826924 and MCB-738232 NR 46 TC 35 Z9 37 U1 3 U2 65 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD MAY PY 2014 VL 9 IS 5 BP 1038 EP 1048 DI 10.1038/nprot.2014.067 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AF9DC UT WOS:000335014500004 PM 24722403 ER PT J AU Qi, LS Arkin, AP AF Qi, Lei S. Arkin, Adam P. TI A versatile framework for microbial engineering using synthetic non-coding RNAs SO NATURE REVIEWS MICROBIOLOGY LA English DT Review ID CRISPR-CAS SYSTEMS; BACTERIAL GENE-EXPRESSION; SEQUENCE-SPECIFIC CONTROL; ONE-STEP GENERATION; ESCHERICHIA-COLI; MESSENGER-RNA; IN-VIVO; TRANSCRIPTIONAL REGULATORS; TRANSLATION INITIATION; STRUCTURE REVEALS AB Synthetic non-coding RNAs have emerged as a versatile class of molecular devices that have a diverse range of programmable functions, including signal sensing, gene regulation and the modulation of molecular interactions. Owing to their small size and the central role of Watson-Crick base pairing in determining their structure, function and interactions, several distinct types of synthetic non-coding RNA regulators that are functional at the DNA, mRNA and protein levels have been experimentally characterized and computationally modelled. These engineered devices can be incorporated into genetic circuits, enabling the more efficient creation of complex synthetic biological systems. In this Review, we summarize recent progress in engineering synthetic non-coding RNA devices and their application to genetic and cellular engineering in a broad range of microorganisms. C1 [Qi, Lei S.] Univ Calif San Francisco, Ctr Syst & Synthet Biol, San Francisco, CA 94158 USA. [Qi, Lei S.] Univ Calif San Francisco, Dept Cellular & Mol Pharmacol, San Francisco, CA 94158 USA. [Qi, Lei S.; Arkin, Adam P.] Calif Inst Quantitat Biomed Res, San Francisco, CA 94158 USA. [Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Qi, LS (reprint author), Univ Calif San Francisco, Ctr Syst & Synthet Biol, San Francisco, CA 94158 USA. EM stanley.qi@ucsf.edu; aparkin@lbl.gov RI Arkin, Adam/A-6751-2008; OI Arkin, Adam/0000-0002-4999-2931; Qi, Lei S/0000-0002-3965-3223 FU University of California San Francisco Center for Systems and Synthetic Biology; US National Institutes of Health (NIH) Office Of The Director (OD); California Institute for Quantitative Biomedical Research (QB3); NIH Director's Early Independence Award [OD017887]; NIH [DA036858, GM102706]; US National Science Foundation (NSF) SynBERC [EEC-0540879] FX L.S.Q. acknowledges support from the University of California San Francisco Center for Systems and Synthetic Biology and the US National Institutes of Health (NIH) Office Of The Director (OD). L. S. Q. and A. P. A. acknowledge support from the California Institute for Quantitative Biomedical Research (QB3). This work was supported by NIH Director's Early Independence Award (grant OD017887 to L. S. Q.), NIH R01 (grant DA036858 to L. S. Q.), NIH P50 (grant GM102706 to A. P. A.), and US National Science Foundation (NSF) SynBERC EEC-0540879 (A.P.A.). NR 131 TC 33 Z9 33 U1 3 U2 69 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1740-1526 EI 1740-1534 J9 NAT REV MICROBIOL JI Nat. Rev. Microbiol. PD MAY PY 2014 VL 12 IS 5 BP 341 EP 354 DI 10.1038/nrmicro3244 PG 14 WC Microbiology SC Microbiology GA AF6TC UT WOS:000334846500011 PM 24736794 ER PT J AU Paddon, CJ Keasling, JD AF Paddon, Chris J. Keasling, Jay D. TI Semi-synthetic artemisinin: a model for the use of synthetic biology in pharmaceutical development SO NATURE REVIEWS MICROBIOLOGY LA English DT Review ID HIGH-LEVEL PRODUCTION; ANTIMALARIAL AGENT ARTEMISININ; ENGINEERED ESCHERICHIA-COLI; CRISPR-CAS SYSTEMS; SACCHAROMYCES-CEREVISIAE; ISOPRENOID BIOSYNTHESIS; MEVALONATE PATHWAY; BENZYLISOQUINOLINE ALKALOIDS; PLASMODIUM-FALCIPARUM; QINGHAOSU ARTEMISININ AB Recent developments in synthetic biology, combined with continued progress in systems biology and metabolic engineering, have enabled the engineering of microorganisms to produce heterologous molecules in a manner that was previously unfeasible. The successful synthesis and recent entry of semi-synthetic artemisinin into commercial production is the first demonstration of the potential of synthetic biology for the development and production of pharmaceutical agents. In this Review, we describe the metabolic engineering and synthetic biology approaches that were used to develop this important antimalarial drug precursor. This not only demonstrates the incredible potential of the available technologies but also illuminates how lessons learned from this work could be applied to the production of other pharmaceutical agents. C1 [Paddon, Chris J.] Amyris Inc, Emeryville, CA 94608 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. RP Paddon, CJ (reprint author), Amyris Inc, 5885 Hollis St,Suite 100, Emeryville, CA 94608 USA. EM Paddon@amyris.com; keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU Bill and Melinda Gates Foundation FX The authors thank the Bill and Melinda Gates Foundation for their generous support of this project. They also thank their many colleagues at the University of California Berkeley, Amyris, Sanofi, National Research Council of Canada (NRC) and PATH Drug Solutions for their unstinting efforts that made this work a success. NR 118 TC 117 Z9 124 U1 52 U2 286 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1740-1526 EI 1740-1534 J9 NAT REV MICROBIOL JI Nat. Rev. Microbiol. PD MAY PY 2014 VL 12 IS 5 BP 355 EP 367 DI 10.1038/nrmicro3240 PG 13 WC Microbiology SC Microbiology GA AF6TC UT WOS:000334846500012 PM 24686413 ER PT J AU Atzeni, S Ribeyre, X Schurtz, G Schmitt, AJ Canaud, B Betti, R Perkins, LJ AF Atzeni, S. Ribeyre, X. Schurtz, G. Schmitt, A. J. Canaud, B. Betti, R. Perkins, L. J. TI Shock ignition of thermonuclear fuel: principles and modelling SO NUCLEAR FUSION LA English DT Article DE inertial confinement fusion; laser driven fusion; shock ignition; target design ID INERTIAL CONFINEMENT FUSION; LASER FUSION; DIRECT-DRIVE; UNIFORM ILLUMINATION; TARGET PHYSICS; ENERGY GAIN; PLASMAS; COMPRESSION; IRRADIATION; IMPLOSIONS AB Shock ignition is an approach to direct-drive inertial confinement fusion (ICF) in which the stages of compression and hot spot formation are partly separated. The fuel is first imploded at a lower velocity than in conventional ICF. Close to stagnation, an intense laser spike drives a strong converging shock, which contributes to hot spot formation. Shock ignition shows potentials for high gain at laser energies below 1 MJ, and could be tested on the National Ignition Facility or Laser MegaJoule. Shock ignition principles and modelling are reviewed in this paper. Target designs and computer-generated gain curves are presented and discussed. Limitations of present studies and research needs are outlined. C1 [Atzeni, S.] Univ Roma La Sapienza, Dipartimento SBAI, I-00161 Rome, Italy. [Atzeni, S.] CNISM, I-00161 Rome, Italy. [Ribeyre, X.; Schurtz, G.] Univ Bordeaux 1, CNRS, CEA, Ctr Lasers Intenses & Applicat, F-33405 Talence, France. [Schmitt, A. J.] Naval Res Lab, Div Plasma Phys, Washington, DC USA. [Canaud, B.] CEA, DIF, F-91297 Arpajon, France. [Betti, R.] Univ Rochester, Laser Energet Lab, Rochester, NY USA. [Perkins, L. J.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Atzeni, S (reprint author), Univ Roma La Sapienza, Dipartimento SBAI, Via A Scarpa 14-16, I-00161 Rome, Italy. EM stefano.atzeni@uniroma1.it RI Atzeni, Stefano/F-5538-2012 OI Atzeni, Stefano/0000-0002-4339-2994 FU Italian MIUR [PRIN 2009FCC9MS]; Sapienza project [2012 C26A12CZH2]; EURATOM within the 'Keep-in-Touch' activities; Aquitaine Regional Council; HiPER project; Preparatory Phase Funding Agency EC; Preparatory Phase Funding Agency MSMT; Preparatory Phase Funding Agency STFC; US Department of Energy/NNSA FX SA was partially supported by the Italian MIUR project PRIN 2009FCC9MS and the Sapienza project 2012 C26A12CZH2. XR was partly supported by EURATOM within the 'Keep-in-Touch' activities and the Aquitaine Regional Council. SA, XR and GS were also partially supported by the HiPER project and Preparatory Phase Funding Agencies (EC, MSMT and STFC). AS was supported by the US Department of Energy/NNSA. NR 119 TC 18 Z9 18 U1 2 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI AR 054008 DI 10.1088/0029-5515/54/5/054008 PG 21 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200008 ER PT J AU Fernandez, JC Albright, BJ Beg, FN Foord, ME Hegelich, BM Honrubia, JJ Roth, M Stephens, RB Yin, L AF Fernandez, J. C. Albright, B. J. Beg, F. N. Foord, M. E. Hegelich, B. M. Honrubia, J. J. Roth, M. Stephens, R. B. Yin, L. TI Fast ignition with laser-driven proton and ion beams SO NUCLEAR FUSION LA English DT Article ID INERTIAL FUSION ENERGY; OVERDENSE PLASMAS; RELATIVISTIC INTERACTION; INTEGRATED EXPERIMENTS; COLLISIONLESS SHOCKS; TEMPORAL CONTRAST; SOLID TARGETS; DENSE-PLASMAS; ACCELERATION; GENERATION AB Fusion fast ignition (FI) initiated by a laser-driven particle beam promises a path to high-yield and high-gain for inertial fusion energy. FI can readily leverage the proven capability of inertial confinement fusion (ICF) drivers, such as the National Ignition Facility, to assemble DT fusion fuel at the relevant high densities. FI provides a truly alternate route to ignition, independent of the difficulties with achieving the ignition hot spot in conventional ICF. FI by laser-driven ion beams provides attractive alternatives that sidestep the present difficulties with laser-driven electron-beam FI, while leveraging the extensive recent progress in generating ion beams with high-power density on existing laser facilities. Whichever the ion species, the ignition requirements are similar: delivering a power density approximate to 10(22) Wcm(-3) (similar to 10 kJ in approximate to 20 ps within a volume of linear dimension approximate to 20 mu m), to the DT fuel compressed to similar to 400g cm(-3) with areal density similar to 2 g cm(-2). High-current, laser-driven beams of many ion species are promising candidates to deliver such high-power densities. The reason is that high energy, high-power laser drivers can deliver high-power fluxes that can efficiently make ion beams that are born neutralized in similar to fs-ps timescales, making them immune to the charge and current limits of conventional beams. In summary, we find that there are many possible paths to success with FI based on laser-driven ion beams. Although many ion species could be used for ignition, we concentrate here on either protons or C ions, which are technologically convenient species. We review the work to date on FI design studies with those species. We also review the tremendous recent progress in discovering, characterizing and developing many ion-acceleration mechanisms relevant to FI. We also summarize key recent technological advances and methods underwriting that progress. Based on the design studies and on the increased understanding of the physics of laser-driven ion acceleration, we provide laser and ion-generation laser-target design points based on several distinct ion-acceleration mechanisms. C1 [Fernandez, J. C.; Albright, B. J.; Hegelich, B. M.; Yin, L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Beg, F. N.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Foord, M. E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Honrubia, J. J.] Univ Politecn Madrid, ETSI Aeronaut, E-28040 Madrid, Spain. [Roth, M.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Stephens, R. B.] Gen Atom Co, San Diego, CA 92121 USA. RP Fernandez, JC (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM juanc@lanl.gov RI Honrubia, Javier/L-6337-2014; Fernandez, Juan/H-3268-2011; OI Honrubia, Javier/0000-0002-3024-4431; Fernandez, Juan/0000-0002-1438-1815; Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320; Stephens, Richard/0000-0002-7034-6141 FU US DOE; LANL LDRD programme office FX We wish to acknowledge many useful discussions with many colleagues in the community. We also want to thank the referees for their invaluable help in making this review fit for publication. This work was sponsored by the US DOE and the LANL LDRD programme office. VPIC calculations were enabled by LANL Institutional Computing and ASC Cielo CCC. NR 169 TC 28 Z9 29 U1 2 U2 51 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI AR 054006 DI 10.1088/0029-5515/54/5/054006 PG 36 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200006 ER PT J AU Kemp, AJ Fiuza, F Debayle, A Johzaki, T Mori, WB Patel, PK Sentoku, Y Silva, LO AF Kemp, A. J. Fiuza, F. Debayle, A. Johzaki, T. Mori, W. B. Patel, P. K. Sentoku, Y. Silva, L. O. TI Laser-plasma interactions for fast ignition SO NUCLEAR FUSION LA English DT Article ID SHEATH INVERSE BREMSSTRAHLUNG; FAST-ELECTRON TRANSPORT; OVERDENSE PLASMAS; FUSION IGNITION; SOLID TARGET; ABSORPTION; SIMULATION; DENSITY; INSTABILITY; PULSES AB In the electron-driven fast-ignition (FI) approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review recent progress in the understanding of intense laser-plasma interactions (LPI) relevant to FI. Increases in computational and modelling capabilities, as well as algorithmic developments have led to enhancement in our ability to perform multi-dimensional particle-in-cell simulations of LPI at relevant scales. We discuss the physics of the interaction in terms of laser absorption fraction, the laser-generated electron spectra, divergence, and their temporal evolution. Scaling with irradiation conditions such as laser intensity are considered, as well as the dependence on plasma parameters. Different numerical modelling approaches and configurations are addressed, providing an overview of the modelling capabilities and limitations. In addition, we discuss the comparison of simulation results with experimental observables. In particular, we address the question of surrogacy of today's experiments for the full-scale FI problem. C1 [Kemp, A. J.; Fiuza, F.; Patel, P. K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fiuza, F.; Silva, L. O.] Inst Super Tecn, Lab Associado, GoLP Inst Plasmas & Fusao Nucl, Lisbon, Portugal. [Debayle, A.] Univ Politecn Madrid, ETSI Aeronaut, Madrid, Spain. [Johzaki, T.] Hiroshima Univ, Grad Sch Engn, Higashihiroshima 7398527, Japan. [Mori, W. B.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Sentoku, Y.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. RP Kemp, AJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kemp7@llnl.gov; fiuza1@llnl.gov RI Silva, Luis/C-3169-2009; Patel, Pravesh/E-1400-2011; Sentoku, Yasuhiko/P-5419-2014 OI Silva, Luis/0000-0003-2906-924X; FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Early Career Award; LLNL Lawrence Fellowship; DOE under Fusion Science Center through a University of Rochester [415025-G, DE-FG52-09NA29552, DE-NA0001833]; European Research Council [267841] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. AJK and FF (Lead Coordinators of this paper) would like to thank all contributors for their efforts. AJK is supported by a DOE Early Career Award, FF is supported by the LLNL Lawrence Fellowship, WBM is supported by the DOE under Fusion Science Center through a University of Rochester subcontract No 415025-G and under DE-FG52-09NA29552 and DE-NA0001833, and LOS is supported by the European Research Council (Accelerates ERC-2010-AdG Grant 267841). Computing support for this work came from the LLNL Institutional Computing Grand Challenge program and from PRACE on Juqueen based in Germany. Simulations were performed at LC-Sierra (LLNL), the Juqueen (FZ Julich, Germany), Hoffman cluster (UCLA), and IST cluster (Lisbon, Portugal). NR 133 TC 19 Z9 20 U1 2 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI AR 054002 DI 10.1088/0029-5515/54/5/054002 PG 23 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200002 ER PT J AU Norreys, P Batani, D Baton, S Beg, FN Kodama, R Nilson, PM Patel, P Perez, F Santos, JJ Scott, RHH Tikhonchuk, VT Wei, M Zhang, J AF Norreys, P. Batani, D. Baton, S. Beg, F. N. Kodama, R. Nilson, P. M. Patel, P. Perez, F. Santos, J. J. Scott, R. H. H. Tikhonchuk, V. T. Wei, M. Zhang, J. TI Fast electron energy transport in solid density and compressed plasma SO NUCLEAR FUSION LA English DT Article DE fast ignition; fast electrons; X-ray spectroscopy; energy transport; solid density plasmas; compressed matter; warm dense matter ID INTENSITY LASER INTERACTIONS; FAST-IGNITION; HOT-ELECTRONS; TARGETS; INSTABILITY; SIMULATIONS; IONIZATION; CURRENTS; PULSES; MATTER AB We provide a review of selected experiments on fast electron transport in solids and plasmas following laser-matter interaction at relativistic intensities. Particular attention is given to precise measurements of intense laser pulses, fast electron energy transfer and the mean kinetic energy of the fast electrons. We discuss in detail mechanism of fast electron energy loss in solid and warm dense targets. We show that stopping due to resistive electric field and collimation due to resistive magnetic field play significant roles in fast electron dynamics. It has also been shown that reducing the size of the target can significantly affect the K alpha production from the targets. The use of reduced-mass target can also increase temperature up to 1 keV level, which provides an excellent platform for fast electron transport without assembling the fuel. The pre-pulse is a significant issue in fast ignition for fast electron coupling to the compressed core. Indeed, we have shown using a variety of targets that the laser pre-pulse can significantly reduce transfer of energy farther into the target. In this article, we show that a significant progress has been made in understanding the critical issues of fast electron transport pertinent to fast ignition (FI). This understanding will facilitate a better target design for large scale FI integrated experiments when laser facilities become available. C1 [Norreys, P.] Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 3PU, England. [Norreys, P.; Scott, R. H. H.] STFC Rutherford Appleton Lab, Oxford OX11 0QX, England. [Batani, D.; Santos, J. J.; Tikhonchuk, V. T.] Univ Bordeaux, CNRS, CEA, CELIA Ctr Lasers Intenses & Applicat,UMR 5107, F-33405 Talence, France. [Baton, S.] Ecole Polytech, Lab Utilisat Lasers Intenses, F-91128 Palaiseau, France. [Beg, F. N.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA USA. [Kodama, R.] Osaka Univ, Grad Sch Engn, Suita, Osaka 565, Japan. [Nilson, P. M.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Patel, P.; Perez, F.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Wei, M.] Gen Atom Co, San Diego, CA 92186 USA. [Zhang, J.] Shanghai Jiao Tong Univ, Shanghai 200240, Peoples R China. RP Norreys, P (reprint author), Univ Oxford, Clarendon Lab, Dept Phys, Parks Rd, Oxford OX1 3PU, England. EM batani@celia.u-bordeaux1.fr RI Patel, Pravesh/E-1400-2011; Kodama, Ryosuke/G-2627-2016 FU HiPER project; Preparatory Phase Funding Agency EC; Preparatory Phase Funding Agency MSMT; Preparatory Phase Funding Agency STFC; Conseil Regional d'Aquitaine [PETRA 2008 13 04 005]; French National Agency for Research; competitiveness cluster Alpha-Route des Lasers [TERRE ANR-2011-BS04-014]; US Department of Energy (DOE) [DE-FC52-08NA28302, DE-FG02-05ER54834, DE-FC02-ER54789]; University of Rochester; New York State Energy Research and Development Authority FX This work was mainly supported by the HiPER project and Preparatory Phase Funding Agencies (EC, MSMT and STFC). It was partially supported by the Conseil Regional d'Aquitaine through project PETRA 2008 13 04 005 and by the French National Agency for Research and the competitiveness cluster Alpha-Route des Lasers through project TERRE ANR-2011-BS04-014. It was also partially supported by the US Department of Energy (DOE) under Cooperative Agreement Nos. DE-FC52-08NA28302 (Office of Inertial Confinement Fusion), DE-FG02-05ER54834 (FI-ACE) and DE-FC02-ER54789 (Fusion Science Centre, Office of Inertial Fusion Energy Science), the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. Some of the simulation and modelling results in section 3.1 has not been published previously: DB and JJS acknowledge the contribution of L. Gremillet and B. Vauzour. The work on the pre-plasma effect in buried cone targets performed at the TITAN laser included in section 6.2 has not been published previously: MSW and FNB acknowledge the contribution from R. B. Stephens, H. S. McLean, R. Mishra and S. Chawla. NR 100 TC 15 Z9 16 U1 3 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 MAY PY 2014 VL 54 IS 5 SI SI AR 054004 DI 10.1088/0029-5515/54/5/054004 PG 22 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200004 ER PT J AU Robinson, APL Strozzi, DJ Davies, JR Gremillet, L Honrubia, JJ Johzaki, T Kingham, RJ Sherlock, M Solodov, AA AF Robinson, A. P. L. Strozzi, D. J. Davies, J. R. Gremillet, L. Honrubia, J. J. Johzaki, T. Kingham, R. J. Sherlock, M. Solodov, A. A. TI Theory of fast electron transport for fast ignition SO NUCLEAR FUSION LA English DT Article ID COUNTERSTREAMING MAGNETIZED PLASMAS; PARALLEL WAVE-PROPAGATION; GENERATED FAST ELECTRONS; FOKKER-PLANCK EQUATION; IN-CELL SIMULATION; WEIBEL INSTABILITY; RELATIVISTIC ELECTRONS; 2-STREAM INSTABILITY; LASER-PULSES; ELECTROMAGNETIC INSTABILITIES AB Fast ignition (FI) inertial confinement fusion is a variant of inertial fusion in which DT fuel is first compressed to high density and then ignited by a relativistic electron beam generated by a fast (<20 ps) ultra-intense laser pulse, which is usually brought in to the dense plasma via the inclusion of a re-entrant cone. The transport of this beam from the cone apex into the dense fuel is a critical part of this scheme, as it can strongly influence the overall energetics. Here we review progress in the theory and numerical simulation of fast electron transport in the context of FI. Important aspects of the basic plasma physics, descriptions of the numerical methods used, a review of ignition-scale simulations, and a survey of schemes for controlling the propagation of fast electrons are included. Considerable progress has taken place in this area, but the development of a robust, high-gain FI 'point design' is still an ongoing challenge. C1 [Robinson, A. P. L.] Rutherford Appleton Lab, STFC, Cent Laser Facil, Didcot OX11 0QX, Oxon, England. [Strozzi, D. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Davies, J. R.] Univ Rochester, Lab Laser Energet & Mech Engn, Fus Sci Ctr Extreme States Matter, Rochester, NY 14623 USA. [Gremillet, L.] CEA, DAM, DIF, F-91297 Arpajon, France. [Honrubia, J. J.] Tech Univ Madrid, Sch Aerosp Engn, Madrid 28040, Spain. [Johzaki, T.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Kingham, R. J.; Sherlock, M.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Plasma Phys Grp, London SW7 2BZ, England. [Solodov, A. A.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Robinson, APL (reprint author), Rutherford Appleton Lab, STFC, Cent Laser Facil, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England. RI Honrubia, Javier/L-6337-2014; OI Honrubia, Javier/0000-0002-3024-4431; Kingham, Robert/0000-0002-5045-0216; Strozzi, David/0000-0001-8814-3791 NR 224 TC 31 Z9 33 U1 3 U2 45 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI AR 054003 DI 10.1088/0029-5515/54/5/054003 PG 42 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200003 ER PT J AU Shiraga, H Nagatomo, H Theobald, W Solodov, AA Tabak, M AF Shiraga, H. Nagatomo, H. Theobald, W. Solodov, A. A. Tabak, M. TI Fast ignition integrated experiments and high-gain point design SO NUCLEAR FUSION LA English DT Article ID LASER FUSION IGNITION; HIGH-DENSITY; CORE PLASMA; TARGETS; IMPLOSION; SIMULATIONS; COMPRESSION; HYDRODYNAMICS; PHYSICS; OMEGA AB Integrated fast ignition experiments were performed at ILE, Osaka, and LLE, Rochester, in which a nanosecond driver laser implodes a deuterated plastic shell in front of the tip of a hollow metal cone and an intense ultrashort-pulse laser is injected through the cone to heat the compressed plasma. Based on the initial successful results of fast electron heating of cone-in-shell targets, large-energy short-pulse laser beam lines were constructed and became operational: OMEGA-EP at Rochester and LFEX at Osaka. Neutron enhancement due to heating with a similar to kJ short-pulse laser has been demonstrated in the integrated experiments at Osaka and Rochester. The neutron yields are being analysed by comparing the experimental results with simulations. Details of the fast electron beam transport and the electron energy deposition in the imploded fuel plasma are complicated and further studies are imperative. The hydrodynamics of the implosion was studied including the interaction of the imploded core plasma with the cone tip. Theory and simulation studies are presented on the hydrodynamics of a high-gain target for a fast ignition point design. C1 [Shiraga, H.; Nagatomo, H.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Theobald, W.; Solodov, A. A.] Univ Rochester, Inst Laser Energet, Rochester, NY 14623 USA. [Tabak, M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Shiraga, H (reprint author), Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. RI Shiraga, Hiroyuki/I-9565-2015 NR 61 TC 2 Z9 2 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI PG 11 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200005 ER PT J AU Tabak, M Norreys, P Tikhonchuk, VT Tanaka, KA AF Tabak, M. Norreys, P. Tikhonchuk, V. T. Tanaka, K. A. TI Alternative ignition schemes in inertial confinement fusion SO NUCLEAR FUSION LA English DT Article DE inertial fusion; fast ignition; shock ignition; impact ignition; relativistic laser plasmas ID COMPRESSION; DENSITY; PLASMA; GAIN AB This paper presents a short overview of a series of review articles describing alternative approaches to ignition of fusion reactions in inertially confined plasmas. C1 [Tabak, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Norreys, P.] Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 3PU, England. [Norreys, P.] STFC Rutherford Appleton Lab, Oxford OX11 0QX, England. [Tikhonchuk, V. T.] Univ Bordeaux, CNRS, CEA, Ctr Lasers Intenses & Applicat,UMR 5107, F-33405 Talence, France. [Tanaka, K. A.] Osaka Univ, Grad Sch Engn, Lab High Intens Laser Sci & Engn, Suita, Osaka 5650871, Japan. RP Tabak, M (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM tabak1@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was partially performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 23 TC 5 Z9 6 U1 0 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2014 VL 54 IS 5 SI SI AR 054001 DI 10.1088/0029-5515/54/5/054001 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AF3HA UT WOS:000334601200001 ER PT J AU Shi, ZQ Balogh-Brunstad, Z Grant, M Harsh, J Gill, R Thomashow, L Dohnalkova, A Stacks, D Letourneau, M Keller, CK AF Shi, Zhenqing Balogh-Brunstad, Zsuzsanna Grant, Michael Harsh, James Gill, Richard Thomashow, Linda Dohnalkova, Alice Stacks, Daryl Letourneau, Melissa Keller, C. Kent TI Cation uptake and allocation by red pine seedlings under cation-nutrient stress in a column growth experiment SO PLANT AND SOIL LA English DT Article DE Cation-nutrient stress; Environmental tracer; Plant fractionation; Discrimination factor; Mineral weathering ID FOLIAR CA/SR DISCRIMINATION; FOREST ECOSYSTEMS; WEATHERING RATES; POTASSIUM UPTAKE; RELATIVE UPTAKE; HUBBARD BROOK; UNITED-STATES; CA SOURCES; CALCIUM; PLANTS AB Plant nutrient uptake is affected by environmental stress, but how plants respond to cation-nutrient stress is poorly understood. We assessed the impact of varying degrees of cation-nutrient stress on cation uptake in an experimental plant-mineral system. Column experiments, with red pine (Pinus resinosa Ait.) seedlings growing in sand/mineral mixtures, were conducted for up to 9 months. The Ca and K were supplied from both minerals and nutrient solutions with varying Ca and K concentrations. Cation nutrient stress had little impact on carbon allocation after 9 months of plant growth and K was the limiting nutrient for biomass production. Measurement of Ca/Sr and K/Rb ratios allowed independent estimation of dissolution incongruency and discrimination against Sr and Rb during cation uptake processes. The fraction of K in biomass from biotite increased with decreasing K supply from nutrient solutions. The mineral anorthite was consistently the major source of Ca, regardless of nutrient treatment. Red pine seedlings exploited more mineral K in response to more severe K deficiency. This did not occur for Ca since Ca was not limiting plant growth. Plant discrimination factors must be carefully considered to accurately identify nutrient sources using cation tracers. C1 [Shi, Zhenqing; Stacks, Daryl; Keller, C. Kent] Washington State Univ, Sch Environm, Pullman, WA 99164 USA. [Shi, Zhenqing; Grant, Michael; Harsh, James; Letourneau, Melissa] Washington State Univ, Dept Crop & Soil Sci, Pullman, WA 99164 USA. [Balogh-Brunstad, Zsuzsanna] Hartwick Coll, Dept Chem, Oneonta, NY 13820 USA. [Balogh-Brunstad, Zsuzsanna] Hartwick Coll, Dept Geol & Environm Sci, Oneonta, NY 13820 USA. [Gill, Richard] Brigham Young Univ, Dept Biol, Provo, UT 84602 USA. [Thomashow, Linda] Washington State Univ, USDA ARS, Root Dis & Biol Control Res Unit, Pullman, WA 99164 USA. [Dohnalkova, Alice] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Shi, ZQ (reprint author), Washington State Univ, Dept Crop & Soil Sci, Pullman, WA 99164 USA. EM zhenqing.shi@wsu.edu RI Shi, Zhenqing /F-9212-2016; Harsh, James/C-7455-2014 OI Harsh, James/0000-0002-0177-3342 FU National Science Foundation [0952399]; U.S. DOE's Office of Biological and Environmental Research (OBER), located at the Pacific Northwest National Laboratory (PNNL); DOE [DE-AC06-76RLO 1830] FX We thank Jeff Boyle, Scott Boroughs, and Charles Knaack at Washington State University for analytical assistance and helpful discussions. We thank our collaborators at Washington State University, particularly generous and ongoing accommodations within the School of Biological Sciences Plant Growth Service Center. This work is supported by National Science Foundation grant No. 0952399 to Kent Keller and collaborators. A portion of this research was performed at the Environmental Molecular Sciences laboratory (EMSL), a national scientific user facility sponsored by the U.S. DOE's Office of Biological and Environmental Research (OBER), located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 41 TC 0 Z9 1 U1 2 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0032-079X EI 1573-5036 J9 PLANT SOIL JI Plant Soil PD MAY PY 2014 VL 378 IS 1-2 BP 83 EP 98 DI 10.1007/s11104-013-2016-2 PG 16 WC Agronomy; Plant Sciences; Soil Science SC Agriculture; Plant Sciences GA AF2AC UT WOS:000334514000006 ER PT J AU Podesta, M Gorelenkova, M White, RB AF Podesta, M. Gorelenkova, M. White, R. B. TI A reduced fast ion transport model for the tokamak transport code TRANSP SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE fast ion transport; tokamak simulations; Alfvenic instabilities; reduced transport modules ID SIMULATION; PLASMAS; PHYSICS AB Fast ion transport models currently implemented in the tokamak transport code TRANSP (Hawryluk 1980 Physics of Plasmas Close to Thermonuclear Conditions (Brussels: CEC)) are not capturing important aspects of the physics associated with resonant transport caused by instabilities such as toroidal Alfven eigenmodes (TAEs). This work describes the implementation of a fast ion transport model consistent with the basic mechanisms of resonant mode-particle interaction. The model is formulated in terms of a probability distribution function for the particle's steps in phase space, which is consistent with the Monte Carlo approach used in TRANSP. The proposed model is based on the analysis of the fast ion response to TAE modes through the ORBIT code (White and Chance 1984 Phys. Fluids 27 2455), but it can be generalized to higher frequency modes (e. g. compressional and global Alfven eigenmodes) and to other numerical codes or theories. C1 [Podesta, M.; Gorelenkova, M.; White, R. B.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Podesta, M (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI White, Roscoe/D-1773-2013 OI White, Roscoe/0000-0002-4239-2685 FU US-DoE [DE-AC02-09CH11466] FX This work was supported by US-DoE contract DE-AC02-09CH11466. NR 21 TC 6 Z9 6 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2014 VL 56 IS 5 AR 055003 DI 10.1088/0741-3335/56/5/055003 PG 15 WC Physics, Fluids & Plasmas SC Physics GA AF9GL UT WOS:000335023300004 ER PT J AU Osterwald, CR Emery, KA Muller, M AF Osterwald, C. R. Emery, K. A. Muller, M. TI Photovoltaic module calibration value versus optical air mass: the air mass function SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE responsivity; measurement; modeling; spectral; performance; calibration; current; photovoltaics ID SOLAR-CELLS; IRRADIANCE; PERFORMANCE; SPECTRUM AB So-called "air mass functions" of photovoltaic modules are used to approximate the effects of spectral responsivity and to correct short-circuit current to or from a reference condition. These empirical functions are determined from outdoor measurements with test modules mounted on two-axis solar trackers and then calculated from plots of normalized calibration value (short-circuit current divided by total irradiance) versus optical air mass. Because they are incorporated into a number of photovoltaic system modeling and sizing software programs, the accuracy of the functions has direct implications for system costs. We discuss the assumptions associated with these functions that are generally not considered or ignored, and study their variability with respect to atmospheric constituents. The variability study included a 6-month outdoor measurement on a crystalline-Si module and a software simulation of the same module using a solar spectral irradiance model. We conclude that air mass functions depend on the measurement location and time, and therefore are not unique to a particular device. Also, using these functions introduces two distinct errors, the magnitudes of which are unknown without knowledge of spectral irradiance conditions. Published 2012. This article is a U.S. Government work and is in the public domain in the USA. C1 [Osterwald, C. R.; Emery, K. A.; Muller, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Osterwald, CR (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM carl_osterwald@nrel.gov FU US Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the US Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 38 TC 16 Z9 16 U1 1 U2 8 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 MAY PY 2014 VL 22 IS 5 BP 560 EP 573 DI 10.1002/pip.2303 PG 14 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AE6IH UT WOS:000334093300006 ER PT J AU Smith, JS Angel, TE Chavkin, C Orton, DJ Moore, RJ Smith, RD AF Smith, Jeffrey S. Angel, Thomas E. Chavkin, Charles Orton, Daniel J. Moore, Ronald J. Smith, Richard D. TI Characterization of individual mouse cerebrospinal fluid proteomes SO PROTEOMICS LA English DT Article DE Animal proteomics; Cerebrospinal fluid; Mouse; MS; Proteome ID MASS-SPECTROMETRY; DISEASE; SECRETION; CELLS AB Analysis of cerebrospinal fluid (CSF) offers key insight into the status of the CNS. Characterization of murine CSF proteomes can provide a valuable resource for studying CNS injury and disease in animal models. However, the small volume of CSF in mice has thus far limited individual mouse proteome characterization. Through nonterminal CSF extractions in C57Bl/6 mice and high-resolution 2D-LC MS/MS analysis of individual murine samples, we report the most comprehensive proteome characterization of individual murine CSF to date. We identified a total of 566 unique proteins, including 128 proteins from three individual CSF samples that have been previously identified in brain tissue. Our methods and analysis provide a mechanism for individual murine CSF proteome analysis. The data are available in the ProteomeXchange with identifier PXD000248 (). C1 [Smith, Jeffrey S.; Chavkin, Charles] Univ Washington, Dept Pharmacol, Seattle, WA 98195 USA. [Angel, Thomas E.; Orton, Daniel J.; Moore, Ronald J.; 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 FU National Institute of General Medical Sciences [P41GM103493]; Department of Energy (DOE) Office of Biological and Environmental Research; Battelle Memorial Institute for the DOE [DE-AC05-76RL0 1830] FX The MS proteomics data in this paper have been deposited in the ProteomeXchange Consortium (http://proteomecentral.proteomexchange.org) via the PRIDE partner repository [19]: dataset identifier PXD000248. Portions of this work were supported by the National Institute of General Medical Sciences (P41GM103493). Research was performed at the University of Washington and at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy (DOE) Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL0 1830. NR 24 TC 7 Z9 7 U1 2 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD MAY PY 2014 VL 14 IS 9 BP 1102 EP 1106 DI 10.1002/pmic.201300241 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AE8ZC UT WOS:000334290600018 PM 24677814 ER PT J AU Sharp, N Kuntz, A Brubaker, C Amos, S Gao, W Gupta, G Mohite, A Farrar, C Mascarenas, D AF Sharp, Nathan Kuntz, Alan Brubaker, Cole Amos, Stephanie Gao, Wei Gupta, Gautum Mohite, Aditya Farrar, Charles Mascarenas, David TI A bio-inspired asynchronous skin system for crack detection applications SO SMART MATERIALS AND STRUCTURES LA English DT Article DE graphene oxide; asynchronous; bio-inspired; nervous system; low-power AB In many applications of structural health monitoring (SHM) it is imperative or advantageous to have large sensor arrays in order to properly sense the state of health of the structure. Typically these sensor networks are implemented by placing a large number of sensors over a structure and running individual cables from each sensor back to a central measurement station. Data is then collected from each sensor on the network at a constant sampling rate regardless of the current timescales at which events are acting on the structure. These conventional SHM sensor networks have a number of shortfalls. They tend to have a large number of cables that can represent a single point of failure for each sensor as well as add significant weight and installation costs. The constant sampling rate associated with each sensor very quickly leads to large amounts of data that must be analyzed, stored, and possibly transmitted to a remote user. This leads to increased demands on power consumption, bandwidth, and size. It also taxes our current techniques for managing large amounts of data. For the last decade the goal of the SHM community has been to endow structures with the functionality of a biological nervous system. Despite this goal the community has predominantly ignored the biological nervous system as inspiration for building structural nervous systems, choosing instead to focus on experimental mechanics and simulation techniques. In this work we explore the use of a novel, bio-inspired, SHM skin. This skin makes use of distributed computing and asynchronous communication techniques to alleviate the scale of the data management challenge as well as reduce power. The system also periodically sends a 'heat beat' signal to provide state-of-health updates. This conductive skin was implemented using conductive ink resistors as well as with graphene-oxide capacitors. C1 [Sharp, Nathan] Purdue Univ, W Lafayette, IN 47905 USA. [Kuntz, Alan] Univ New Mexico, Albuquerque, NM 87131 USA. [Brubaker, Cole] Colorado State Univ, Ft Collins, CO 80523 USA. [Amos, Stephanie] Georgia Tech, Atlanta, GA 30332 USA. [Gao, Wei; Gupta, Gautum; Mohite, Aditya; Farrar, Charles; Mascarenas, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sharp, N (reprint author), Purdue Univ, W Lafayette, IN 47905 USA. EM dmascarenas@lanl.gov OI Farrar, Charles/0000-0001-6533-6996 FU Los Alamos National Laboratory-Laboratory Directed Research and Development Program [20130527ER] FX The authors would like to acknowledge the support of the Los Alamos National Laboratory-Laboratory Directed Research and Development Program, grant number 20130527ER. We would also like to acknowledge Karen Miller of Los Alamos National Laboratories for encouraging us to explore the use of smart materials for novel, tamper-indicating seal technology. NR 18 TC 8 Z9 8 U1 0 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0964-1726 EI 1361-665X J9 SMART MATER STRUCT JI Smart Mater. Struct. PD MAY PY 2014 VL 23 IS 5 AR 055020 DI 10.1088/0964-1726/23/5/055020 PG 7 WC Instruments & Instrumentation; Materials Science, Multidisciplinary SC Instruments & Instrumentation; Materials Science GA AF0JS UT WOS:000334400700021 ER PT J AU Sharp, N Kuntz, A Brubaker, C Amos, S Gao, W Gupta, G Mohite, A Farrar, C Mascarenas, D AF Sharp, Nathan Kuntz, Alan Brubaker, Cole Amos, Stephanie Gao, Wei Gupta, Gautam Mohite, Aditya Farrar, Chuck Mascarenas, David TI Crack detection sensor layout and bus configuration analysis SO SMART MATERIALS AND STRUCTURES LA English DT Article DE sensing skin; robust; sensor layout; crack detection; bus ID STRAIN; INFRASTRUCTURE AB In crack detection applications large sensor arrays are needed to be able to detect and locate cracks in structures. Emerging graphene-oxide paper sensing skins are a promising technology that will help enable structural sensing skins, but in order to make use of them we must consider how the sensors will be laid out and wired on the skin. This paper analyzes different sensor shapes and layouts to determine the layout which provides the preferred performance. A 'snaked hexagon' layout is proposed as the preferred sensor layout when both crack detection and crack location parameters are considered. In previous work we have developed a crack detection circuit which reduces the number of channels of the system by placing several sensors onto a common bus line. This helps reduce data and power consumption requirements but reduces the robustness of the system by creating the possibility of losing sensing in several sensors in the event that a single wire breaks. In this paper, sensor bus configurations are analyzed to increase the robustness of the bused sensor system. Results show that spacing out sensors in the same bus as much as possible increases the robustness of the system and that at least 3 buses are needed to prevent large segments of a structure from losing sensing in the event of a bus failure. This work is a preliminary effort toward enabling a new class of 'networked materials' that will be vitally important for next generation structural applications. 'Networked materials' have material properties related to information theoretic concepts. An example material property is 'bandwidth' per unit of material that might indicate the amount of information the material can provide about its state-of-health. C1 [Sharp, Nathan] Purdue Univ, W Lafayette, IN 47905 USA. [Kuntz, Alan] Univ New Mexico, Albuquerque, NM 87131 USA. [Brubaker, Cole] Colorado State Univ, Ft Collins, CO 80523 USA. [Amos, Stephanie] Georgia Tech, Atlanta, GA 30332 USA. [Gao, Wei; Gupta, Gautam; Mohite, Aditya; Farrar, Chuck; Mascarenas, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sharp, N (reprint author), Purdue Univ, W Lafayette, IN 47905 USA. EM dmascarenas@lanl.gov OI Farrar, Charles/0000-0001-6533-6996 FU Los Alamos National Laboratory-Laboratory Directed Research and Development program [20130527ER] FX The authors would like to acknowledge the support of the Los Alamos National Laboratory-Laboratory Directed Research and Development program. Grant no. 20130527ER. We would also like to acknowledge Karen Miller of Los Alamos National Laboratories for encouraging us to explore the use of smart materials for novel, tamper-indicating seal technology. NR 17 TC 1 Z9 1 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0964-1726 EI 1361-665X J9 SMART MATER STRUCT JI Smart Mater. Struct. PD MAY PY 2014 VL 23 IS 5 AR 055021 DI 10.1088/0964-1726/23/5/055021 PG 8 WC Instruments & Instrumentation; Materials Science, Multidisciplinary SC Instruments & Instrumentation; Materials Science GA AF0JS UT WOS:000334400700022 ER PT J AU Lee, H Fitzgerald, J Hewins, DB McCulley, RL Archer, SR Rahn, T Throop, HL AF Lee, Hanna Fitzgerald, Jessica Hewins, Daniel B. McCulley, Rebecca L. Archer, Steven R. Rahn, Thom Throop, Heather L. TI Soil moisture and soil-litter mixing effects on surface litter decomposition: A controlled environment assessment SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE CO2 fluxes; PLFA; Rainfall pulses; Soil-Litter incubation; Dry lands; Eragrostis lehmanniana; Prosopis velutina ID LEAF-LITTER; MICROBIAL COMMUNITIES; CLIMATE-CHANGE; WATER PULSES; LONG-TERM; PRECIPITATION PULSES; SEMIDESERT GRASSLAND; SEMIARID ECOSYSTEMS; SHRUB ENCROACHMENT; DRYLAND ECOSYSTEMS AB Recent studies suggest the long-standing discrepancy between measured and modeled leaf litter decomposition in drylands is, in part, the result of a unique combination of abiotic drivers that include high soil surface temperature and radiant energy levels and soil-litter mixing. Temperature and radiant energy effects on litter decomposition have been widely documented. However, under field conditions in drylands where soil-litter mixing occurs and accelerates decomposition, the mechanisms involved with soil-litter mixing effects are ambiguous. Potential mechanisms may include some combination of enhanced microbial colonization of litter, physical abrasion of litter surfaces, and buffering of litter and its associated decomposers from high temperatures and low moisture conditions. Here, we tested how soil-litter mixing and soil moisture interact to influence rates of litter decomposition in a controlled environment. Foliar litter of two plant species (a grass [Eragrostis lehmanniana] and a shrub [Prosopis velutina]) was incubated for 32 weeks in a factorial combination of soil-litter mixing (none, light, and complete) and soil water content (2, 4, 12% water-filled porosity) treatments. Phospholipid fatty acids (PLFAs) were quantified one week into the experiment to evaluate initial microbial colonization. A complementary incubation experiment with simulated rainfall pulses tested the buffering effects of soil-litter mixing on decomposition. Under the laboratory conditions of our experiments, the influence of soil-litter mixing was minimal and primarily confined to changes in PLFAs during the initial stages of decomposition in the constant soil moisture experiment and the oscillating soil moisture conditions of the rainfall pulse experiment. Soil-litter mixing effects on CO2 production, total phospholipid concentrations, and bacterial to total PLFA ratios were observed within the first week, but responses were fairly weak and varied with litter type and soil moisture treatment. Across the entire 32-week incubation experiment, soil moisture had a significant positive effect on mass loss, but soil-litter mixing did not. The lack of strong soil-litter mixing effects on decomposition under the moderate and relatively constant environmental conditions of this study is in contrast to results from field studies and suggests the importance of soil-litter mixing may be magnified when the fluctuations and extremes in temperature, radiant energy and moisture regimes common dryland field settings are in play. Published by Elsevier Ltd. C1 [Lee, Hanna] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Fitzgerald, Jessica; Hewins, Daniel B.; Throop, Heather L.] New Mexico State Univ, Dept Biol, Las Cruces, NM 88003 USA. [McCulley, Rebecca L.] Univ Kentucky, Dept Plant & Soil Sci, Lexington, KY 40546 USA. [Archer, Steven R.] Univ Arizona, Sch Nat Resources & Environm, Tucson, AZ 85721 USA. [Rahn, Thom] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Lee, H (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM hannal@ucar.edu RI Rahn, Thom/C-5211-2012; Throop, Heather/D-6391-2012; OI Throop, Heather/0000-0002-7963-4342; Rahn, Thomas/0000-0001-8634-1348 FU LANL-NMSU Memorandum of Understanding grant; NSF [DEB 0815808, DEB 0814461, DEB 0816162] FX This research was funded by a LANL-NMSU Memorandum of Understanding grant to HLT and TR, NSF DEB 0815808 to HLT, NSF DEB 0814461 to RLM, and NSF DEB 0816162 to SRA. We thank W. van Voorhies for assistance with CO2 measurement instrumentation; T. Clawson, E. Morrison, N. Nahid, J. Nelson, R. Pardee, J. Smith, and E. Velasco for help with laboratory analyses; K. Predick for providing litter and soils; and three anonymous reviewers for aiding clarity. NR 65 TC 22 Z9 22 U1 11 U2 126 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 MAY PY 2014 VL 72 BP 123 EP 132 DI 10.1016/j.soilbio.2014.01.027 PG 10 WC Soil Science SC Agriculture GA AF8NU UT WOS:000334973700016 ER PT J AU Perez, D Wohlberg, B Lovell, TA Shoemaker, M Bevilacqua, R AF Perez, David Wohlberg, Brendt Lovell, Thomas Alan Shoemaker, Michael Bevilacqua, Riccardo TI Orbit-centered atmospheric density prediction using artificial neural networks SO ACTA ASTRONAUTICA LA English DT Article DE Thermospheric density; Modeling; Neural networks ID GENERAL-CIRCULATION MODEL; THERMOSPHERIC MODEL; DIFFERENTIAL DRAG; SOLAR; ELECTRODYNAMICS; CONSTRAINTS; MESOSPHERE; INDEXES; MIDDLE AB At low Earth orbits, drag force is a significant source of error for propagating the motion of a spacecraft. The main factor driving the changes on the drag force is neutral density. Global atmospheric models provide estimates for the density which are significantly affected by bias due to misrepresentations of the underlying physics and limitations on the statistical models. In this work a localized predictor based on artificial neural networks is presented. Localized refers to the focus being on a specific orbit, rather than a global prediction. The predictor uses density measurements or estimates on a given orbit and a set of proxies for solar and geomagnetic activities to predict the value of the density along the future orbit of the spacecraft. The performance of the localized predictor is studied for different neural network structures, testing periods of high and low solar and geomagnetic activities and different prediction windows. Comparison with previously developed methods show substantial benefits in using artificial neural networks, both in prediction accuracy and in the potential for spacecraft onboard implementation. In fact, the proposed neural networks are computationally efficient and would be straightforward to integrate into onboard software. (C) 2014 IAA. Published by Elsevier Ltd. All rights reserved. C1 [Perez, David; Bevilacqua, Riccardo] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Wohlberg, Brendt; Shoemaker, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Lovell, Thomas Alan] Air Force Res Lab, Space Vehicles Directorate, Kirtland AFB, NM USA. RP Bevilacqua, R (reprint author), Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, JEC 5048 110 8th St, Troy, NY 12180 USA. EM perezd4@rpi.edu; brendt@lanl.gov; thomas.lovell@kirtland.af.mil; shoemaker@lanl.gov; bevilr@rpi.edu RI Wohlberg, Brendt/M-7764-2015 OI Wohlberg, Brendt/0000-0002-4767-1843 FU U.S. Office of Naval Research [N00014-13-1-0536] FX The authors wish to acknowledge the Los Alamos National Laboratory for hosting the Space Weather Summer School in 2013; the results presented here were obtained under the Vela Fellowship associated with Mr. Perez's participation to the summer school. This research was also supported by the U.S. Office of Naval Research, under the Young Investigator Program (Award no. N00014-13-1-0536). NR 52 TC 7 Z9 7 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0094-5765 EI 1879-2030 J9 ACTA ASTRONAUT JI Acta Astronaut. PD MAY-JUN PY 2014 VL 98 BP 9 EP 23 DI 10.1016/j.actaastro.2014.01.007 PG 15 WC Engineering, Aerospace SC Engineering GA AE6EW UT WOS:000334084400002 ER PT J AU Li, L Chai, SH Binder, A Brown, S Veith, GM Dai, S AF Li, Lin Chai, Song-Hai Binder, Andrew Brown, Suree Veith, Gabriel M. Dai, Sheng TI Catalytic CO Oxidation Over Gold Nanoparticles: Support Modification by Monolayer- and Submonolayer-Dispersed Sb2O3 SO CATALYSIS LETTERS LA English DT Article DE MCF-Sb2O3; Monodispersion; Gold nanocatalyst; CO oxidation; Mesoporous materials ID LOW-TEMPERATURE OXIDATION; CARBON-MONOXIDE; AU CATALYSTS; MESOPOROUS MATERIALS; TITANIA CATALYSTS; ACTIVE GOLD; TIO2; GAS; DEACTIVATION; PARTICLES AB A new kind of heterostructured mesoporous materials for supporting gold nanoparticles was developed by surface modification of mesoporous cellulous foam silica (MCF) with antimony trioxide (Sb2O3) in a monolayer/submonolayer state through a spontaneous dispersion process at 450 A degrees C for 24 h. Gold nanoparticles were well stabilized on the surface of MCF-Sb2O3, exhibiting not only catalytic activity for CO oxidation even below room temperature but also good catalytic stability without the growth of Au nanoparticles after a steady-state reaction for 30 h. C1 [Li, Lin] South Cent Univ Nationalities, Coll Chem & Mat Sci, Key Lab Catalysis & Mat Sci, State Ethn Affairs Commiss, Wuhan 430074, Peoples R China. [Li, Lin] South Cent Univ Nationalities, Coll Chem & Mat Sci, Minist Educ, Wuhan 430074, Peoples R China. [Li, Lin; Brown, Suree; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Chai, Song-Hai; Binder, Andrew; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Li, L (reprint author), South Cent Univ Nationalities, Coll Chem & Mat Sci, Key Lab Catalysis & Mat Sci, State Ethn Affairs Commiss, Wuhan 430074, Peoples R China. EM lilinchem@126.com; dais@ornl.gov RI Chai, Song-Hai/A-9299-2012; Dai, Sheng/K-8411-2015 OI Chai, Song-Hai/0000-0002-4152-2513; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy [De-AC05-00OR22725]; Oak Ridge National Laboratory; South-Central University for Nationalities [CZZ12002] FX The research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy, under Contract No. De-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. Lin Li expresses gratitude for the financial support from the South-Central University for Nationalities (No. CZZ12002). NR 45 TC 1 Z9 1 U1 3 U2 36 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD MAY PY 2014 VL 144 IS 5 BP 912 EP 919 DI 10.1007/s10562-014-1239-z PG 8 WC Chemistry, Physical SC Chemistry GA AF0ZF UT WOS:000334443200018 ER PT J AU Mourad, HM Bronkhorst, CA Addessio, FL Cady, CM Brown, DW Chen, SR Gray, GT AF Mourad, Hashem M. Bronkhorst, Curt A. Addessio, Francis L. Cady, Carl M. Brown, Donald W. Chen, Shuh Rong Gray, George T., III TI Incrementally objective implicit integration of hypoelastic-viscoplastic constitutive equations based on the mechanical threshold strength model SO COMPUTATIONAL MECHANICS LA English DT Article DE Viscoplasticity; Mechanical threshold strength; MTS model; Finite deformation; Objective integration; Radial return mapping; Finite element method ID HIGH-STRAIN-RATE; PLASTIC-DEFORMATION; LOW-TEMPERATURE; YIELD CRITERION; VARIABLE MODEL; FCC METALS; ALGORITHM; TANTALUM; BEHAVIOR; BCC AB The present paper focuses on the development of a fully implicit, incrementally objective integration algorithm for a hypoelastic formulation of -viscoplasticity, which employs the mechanical threshold strength model to compute the material's flow stress, taking into account its dependence on strain rate and temperature. Heat generation due to high-rate viscoplastic deformation is accounted for, assuming adiabatic conditions. The implementation of the algorithm is discussed, and its performance is assessed in the contexts of implicit and explicit dynamic finite element analysis, with the aid of example problems involving a wide range of loading rates. Computational results are compared to experimental data, showing very good agreement. C1 [Mourad, Hashem M.; Bronkhorst, Curt A.; Addessio, Francis L.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Cady, Carl M.; Brown, Donald W.; Chen, Shuh Rong; Gray, George T., III] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Mourad, HM (reprint author), Los Alamos Natl Lab, Div Theoret, T-3, Los Alamos, NM 87545 USA. EM hmourad@lanl.gov RI Bronkhorst, Curt/B-4280-2011 OI Bronkhorst, Curt/0000-0002-2709-1964 FU Joint DoD/DOE Munitions Technology Development Program; Advanced Simulation and Computing program (ASC); NNSA Science Campaign 2-Dynamic Materials Properties; Laboratory Directed Research and Development program (LDRD) at Los Alamos National Laboratory FX Helpful discussions over the course of this work with Drs. Rick Rauenzahn, Bradford Clements, and Jason Mayeur, of Los Alamos National Laboratory, are greatly appreciated. Funding for this work was provided by the Joint DoD/DOE Munitions Technology Development Program, the Advanced Simulation and Computing program (ASC), the NNSA Science Campaign 2-Dynamic Materials Properties, and the Laboratory Directed Research and Development program (LDRD) at Los Alamos National Laboratory. The authors gratefully acknowledge this support. NR 52 TC 1 Z9 1 U1 2 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-7675 EI 1432-0924 J9 COMPUT MECH JI Comput. Mech. PD MAY PY 2014 VL 53 IS 5 BP 941 EP 955 DI 10.1007/s00466-013-0941-9 PG 15 WC Mathematics, Interdisciplinary Applications; Mechanics SC Mathematics; Mechanics GA AE8VI UT WOS:000334280600006 ER PT J AU Zhong, LR Cantrell, K Mitroshkov, A Shewell, J AF Zhong, Lirong Cantrell, Kirk Mitroshkov, Alex Shewell, Jesse TI Mobilization and transport of organic compounds from reservoir rock and caprock in geological carbon sequestration sites SO ENVIRONMENTAL EARTH SCIENCES LA English DT Article DE Geological carbon sequestration; Organic compounds; BTEX; Naphthalene; Mobilization; Transport ID DEEP SALINE AQUIFERS; SUPERCRITICAL-FLUID EXTRACTION; CLIMATE-CHANGE; OIL-SHALE; CO2; STORAGE; HYDROCARBONS; DIOXIDE; SOIL; TEMPERATURE AB Supercritical CO2 (scCO(2)) is a good solvent for organic compounds such as benzene, toluene, ethyl-benzene, and xylene (BTEX), phenols, and polycyclic aromatic hydrocarbons (PAHs). Monitoring results from geological carbon sequestration (GCS) field tests have shown that organic compounds are mobilized following CO2 injection. Such results have raised concerns regarding the potential for groundwater contamination by toxic organic compounds mobilized during GCS. Knowledge of the mobilization mechanism of organic compounds and their transport and fate in the subsurface is essential for assessing risks associated with GCS. Extraction tests using scCO(2) and methylene chloride (CH2Cl2) were conducted to study the mobilization of volatile organic compounds (VOCs, including BTEX), the PAH naphthalene, and n-alkanes by scCO(2) from representative reservoir rock and caprock obtained from depleted oil reservoirs and coal from an enhanced coal-bed methane recovery site. Results showed that the extent of mobilization for the organic compounds was a function of the source rock. In fate and transport sand column experiments, moisture content was found to have an important influence on the transport of the organic compounds. In dry sand columns the majority of the compounds were retained in the column except benzene and toluene. In wet sand columns the mobility of the BTEX was much higher than that of naphthalene. Based upon the results determined for the reservoir rock, caprock, and coal samples studied here, the risk to aquifers from contamination by organic compounds appears to be relatively low; however, further work is necessary to fully evaluate the risks. C1 [Zhong, Lirong; Cantrell, Kirk; Mitroshkov, Alex; Shewell, Jesse] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Zhong, LR (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, POB 999, Richland, WA 99354 USA. EM lirong.zhong@pnnl.gov FU National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of Fossil Energy's Carbon Sequestration Program; U.S. DOE [DE-AC06-76RLO 1830] FX Funding of this research is provided by the National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of Fossil Energy's Carbon Sequestration Program. PNNL is operated by Battelle for the U.S. DOE under Contract DE-AC06-76RLO 1830. NR 35 TC 7 Z9 9 U1 3 U2 49 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6280 EI 1866-6299 J9 ENVIRON EARTH SCI JI Environ. Earth Sci. PD MAY PY 2014 VL 71 IS 9 BP 4261 EP 4272 DI 10.1007/s12665-013-2823-z PG 12 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA AF0NE UT WOS:000334410500041 ER PT J AU Burow, LC Woebken, D Marshall, IPG Singer, SW Pett-Ridge, J Prufert-Bebout, L Spormann, AM Bebout, BM Weber, PK Hoehler, TM AF Burow, L. C. Woebken, D. Marshall, I. P. G. Singer, S. W. Pett-Ridge, J. Prufert-Bebout, L. Spormann, A. M. Bebout, B. M. Weber, P. K. Hoehler, T. M. TI Identification of Desulfobacterales as primary hydrogenotrophs in a complex microbial mat community SO GEOBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; SP-NOV; GEN. NOV.; DIVERSITY; SEDIMENTS; ECOLOGY; BIOGEOCHEMISTRY; METHANOGENESIS; SEQUENCES; REDUCTION AB Hypersaline microbial mats have been shown to produce significant quantities of H-2 under dark, anoxic conditions via cyanobacterial fermentation. This flux of a widely accessible microbial substrate has potential to significantly influence the ecology of the mat, and any consumption will affect the net efflux of H-2 that might otherwise be captured as a resource. Here, we focus on H-2 consumption in a microbial mat from Elkhorn Slough, California, USA, for which H-2 production has been previously characterized. Active biologic H-2 consumption in this mat is indicated by a significant time-dependent decrease in added H-2 compared with a killed control. Inhibition of sulfate reduction, as indicated by a decrease in hydrogen sulfide production relative to controls, resulted in a significant increase in H-2 efflux, suggesting that sulfate-reducing bacteria (SRB) are important hydrogenotrophs. Low methane efflux under these same conditions indicated that methanogens are likely not important hydrogenotrophs. Analyses of genes and transcripts that encode for rRNA or dissimilatory sulfite reductase, using both PCR-dependent and PCR-independent metatranscriptomic sequencing methods, demonstrated that Desulfobacterales are the dominant, active SRB in the upper, H-2-producing layer of the mat (0-2mm). This hypothesis was further supported by the identification of transcripts encoding hydrogenases derived from Desulfobacterales capable of H-2 oxidation. Analysis of molecular data provided no evidence for the activity of hydrogenotrophic methanogens. The combined biogeochemical and molecular data strongly indicate that SRB belonging to the Desulfobacterales are the quantitatively important hydrogenotrophs in the Elkhorn Slough mat. C1 [Burow, L. C.; Woebken, D.; Marshall, I. P. G.; Spormann, A. M.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Burow, L. C.; Woebken, D.; Marshall, I. P. G.; Spormann, A. M.] Stanford Univ, Dept Civil Engn, Stanford, CA 94305 USA. [Burow, L. C.; Woebken, D.; Marshall, I. P. G.; Spormann, A. M.] Stanford Univ, Dept Environm Engn, Stanford, CA 94305 USA. [Burow, L. C.; Woebken, D.; Prufert-Bebout, L.; Bebout, B. M.; Hoehler, T. M.] NASA, Ames Res Ctr, Exobiol Branch, Moffett Field, CA 94035 USA. [Singer, S. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Pett-Ridge, J.; Weber, P. K.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA USA. RP Burow, LC (reprint author), IP Australia, Appl Chem & Biotechnol Sect, Dept Ind, Canberra, ACT, Australia. EM tori.m.hoehler@nasa.gov; tori.m.hoehler@nasa.gov RI Woebken, Dagmar/A-4447-2013; OI Woebken, Dagmar/0000-0002-1314-9926 FU US Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; German Research Foundation (Deutsche Forschungsgemeinschaft); US. Department of Energy (DOE) Genomic Science Program [SCW1039] FX We thank Angela Detweiler and Adrienne Frisbee at the NASA Ames Research Center for technical support and Tijana Glavina del Rio, Susannah Tringe, Erika Lindquist and Stephanie Malfatti at the Joint Genome Institute for assistance obtaining rRNA pyrotag and metatranscriptomic sequences. We thank Jeff Cann, Associate Wildlife Biologist, Central Region, California Department of Fish and Game for coordinating our access to the Elkhorn Slough Wildlife Area. Work at LLNL was performed under the auspices of the US Department of Energy at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work at LBNL was performed under the auspices of the US Department of Energy at Lawrence Berkeley National Laboratory under Contract DE-AC02-05CH11231. Pyrotag and metatranscriptomic sequencing were conducted by the Joint Genome Institute, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. DW was partially funded by the German Research Foundation (Deutsche Forschungsgemeinschaft). Funding was provided by the US. Department of Energy (DOE) Genomic Science Program under contract SCW1039. NR 47 TC 8 Z9 8 U1 6 U2 35 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1472-4677 EI 1472-4669 J9 GEOBIOLOGY JI Geobiology PD MAY PY 2014 VL 12 IS 3 BP 221 EP 230 DI 10.1111/gbi.12080 PG 10 WC Biology; Environmental Sciences; Geosciences, Multidisciplinary SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences & Ecology; Geology GA AE9WI UT WOS:000334361800004 PM 24730641 ER PT J AU Benafan, O Noebe, RD Padula, SA Brown, DW Vogel, S Vaidyanathan, R AF Benafan, O. Noebe, R. D. Padula, S. A., II Brown, D. W. Vogel, S. Vaidyanathan, R. TI Thermomechanical cycling of a NiTi shape memory alloy-macroscopic response and microstructural evolution SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Phase transformation; Microstructures; Twinning; Polycrystalline material; Mechanical testing ID REVERSIBLE MARTENSITIC-TRANSFORMATION; LOW-TEMPERATURE CREEP; TI-NI; TEXTURE ANALYSIS; NEUTRON-DIFFRACTION; ELECTRICAL-RESISTIVITY; PHASE-TRANSFORMATIONS; CONSTITUTIVE MODEL; BINARY NITI; R-PHASE AB Thermomechanical cycling of a Ni49.9Ti50.1 (at.%) shape memory alloy was investigated. Combined ex situ macroscopic experiments and in situ neutron diffraction measurements were performed to relate the macroscopic evolution in behavior (e.g., dimensional instabilities) observed during thermal cycling to the responsible microscopic mechanism(s) through texture, internal strain, peak shape, and phase evolution from the neutron data. Pre-deformation in the austenite or martensite phases affected the macroscopic cyclic behavior (e.g., actuation strain), depending on the level of pre-strain and the associated microstructural changes. However, the pre-deformation did not completely stabilize the cyclic response. Subsequent thermomechanical cycling revealed that the martensite texture changed with continued thermal cycling, while the austenite texture did not. For the conditions investigated, stagnation of the martensite texture occurred around the eighth cycle, consistent with asymptotic saturation of the macroscopic transformation strains. Moreover, diffraction spectra peak shapes (broadening) were found to vary with cycling indicative of the accumulation of lattice defects, consistent with the constant increase in residual strain. Published by Elsevier Ltd. C1 [Benafan, O.; Vaidyanathan, R.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Mech Mat & Aerosp Engn Dept, Orlando, FL 32816 USA. [Benafan, O.; Noebe, R. D.; Padula, S. A., II] NASA, Glenn Res Ctr, Struct & Mat Div, Cleveland, OH 44135 USA. [Brown, D. W.; Vogel, S.] Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. RP Benafan, O (reprint author), NASA, Glenn Res Ctr, Struct & Mat Div, Cleveland, OH 44135 USA. EM othmane.benafan@nasa.gov OI Vogel, Sven C./0000-0003-2049-0361 FU NASA Fundamental Aeronautics Program, Aeronautical Sciences Project; Office of Basic Energy Sciences DOE; DOE [DE-AC52-06NA25396]; [NNX08AB51A] FX Funding from the NASA Fundamental Aeronautics Program, Aeronautical Sciences Project is gratefully acknowledged. Grant NNX08AB51A to UCF is gratefully acknowledged. The authors thank B. Clausen, T. Sisneros and M. Helmut at LANL and D. Gaydosh, A. Garg and G. Bigelow at NASA GRC for technical support and helpful discussions. D.E. Nicholson's help in performing the neutron diffraction experiments is gratefully acknowledged. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences DOE. LANL is operated by Los Alamos National Security LLC under DOE Contract No. DE-AC52-06NA25396. NR 89 TC 20 Z9 21 U1 4 U2 41 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 MAY PY 2014 VL 56 BP 99 EP 118 DI 10.1016/j.ijplas.2014.01.006 PG 20 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AE6EI UT WOS:000334083000005 ER PT J AU Niezgoda, SR Kanjarla, AK Beyerlein, IJ Tome, CN AF Niezgoda, Stephen R. Kanjarla, Anand K. Beyerlein, Irene J. Tome, Carlos N. TI Stochastic modeling of twin nucleation in polycrystals: An application in hexagonal close-packed metals SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Twinning; Hcp; Stochastic; Probability; Constitutive modeling ID PLASTIC-DEFORMATION; HARDENING EVOLUTION; HCP METALS; TEXTURE; MAGNESIUM; ZIRCONIUM; ALLOY; TEMPERATURE; CRYSTALS AB Twinning in hexagonal close-packed (hcp) metals is a multi-scale process that depends on the microstructural and mechanical response details at the polycrystalline aggregate, grain, micro, and atomic scales. Twinning can generally be regarded as a two-step process, a nucleation event followed by propagation and growth. This articles presents a stochastic model for the nucleation of deformation twins in hcp polycrystals. Twin nucleation is modeled through its dependence on lower length scale material details, such as the defect configurations at potential nucleation sites within grain boundaries, and mechanical details such as highly localized stress concentrations at the microscale in a probabilistic manner. These two aspects, the material and mechanical, must align for a successful nucleation event. The nucleation process is cast as a survival model parameterized by the local stress at the grain boundary. The model gives an explicit form for the probability distribution for the critical stress values required for twin nucleation. The model is implemented into a viscoplastic self-consistent (VPSC) crystal plasticity framework in order to test its predictive capability against previously reported statistical characterization in deformed zirconium at multiple temperatures. For implementation in VPSC, the stress concentrations are sampled from a distribution calibrated to full-field crystal plasticity simulations and a three-dimensional model of grain neighbors and distribution of grain boundary areas are implemented.(c) 2013 Elsevier Ltd. All rights reserved. C1 [Niezgoda, Stephen R.] Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA. [Tome, Carlos N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Kanjarla, Anand K.] Indian Inst Technol, Dept Met & Mat Engn, Madras 600036, Tamil Nadu, India. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Niezgoda, SR (reprint author), Ohio State Univ, Dept Mech & Aerosp Engn, 494 Watts Hall,2041 Coll Rd, Columbus, OH 43210 USA. EM niezgoda.6@osu.edu RI Beyerlein, Irene/A-4676-2011; Niezgoda, Stephen/I-6750-2013; Tome, Carlos/D-5058-2013 OI Niezgoda, Stephen/0000-0002-7123-466X; FU U.S. Department of Energy, Office of Science, Basic Energy Science [FWP 06SCPE401]; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX The authors acknowledge full support from the U.S. Department of Energy, Office of Science, Basic Energy Science, Project FWP 06SCPE401. Los Alamos National Laboratory is operated by LANS, LLC, for the National Nuclear Security Administration of the U.S. DOE under contract DE-AC52-06NA25396. NR 36 TC 45 Z9 45 U1 7 U2 60 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 MAY PY 2014 VL 56 BP 119 EP 138 DI 10.1016/j.ijplas.2013.11.005 PG 20 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AE6EI UT WOS:000334083000006 ER PT J AU Wang, J Beyerlein, IJ Tome, CN AF Wang, J. Beyerlein, I. J. Tome, C. N. TI Reactions of lattice dislocations with grain boundaries in Mg: Implications on the micro scale from atomic-scale calculations SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Grain boundary; Dislocation; Atomic-scale; Micro-scale; Magnesium ID STRUCTURE-PROPERTY-FUNCTIONALITY; CENTERED-CUBIC METALS; TWINNING DISLOCATIONS; BIMETAL INTERFACES; HCP METALS; HETEROGENEOUS DEFORMATION; NANOLAYERED COMPOSITES; PLASTIC-DEFORMATION; CRYSTAL PLASTICITY; SLIP TRANSMISSION AB The reactions of lattice glide dislocations with grain boundaries play a crucial role in the plastic deformation of polycrystalline materials. Recent studies on the atomic structures of [1210) symmetrical tilt grain boundaries (STGBs) in Mg and Ti showed that they can be classified into six sets of STGBs, each set sharing similar defect structures. Taking advantage of this and using molecular dynamics simulations, we explore the relationships between dislocation-STGB interactions. We show that the outcome of the reactions can be correlated with certain characteristics of the STGBs and classified into three types: (1) for STGBs with low misorientation angles, {1 O 1 2} twins nucleate via the dissociation of grain boundary dislocations (GBDs), (2) for STGBs with twin orientations (twin boundaries, TB), lattice dislocations dissociate into twinning dislocations (TDs) enabling the TBs to migrate, and (3) for STGBs that deviate from twin orientations, lattice dislocations dissociate into TDs plus residual defects. In the last case (3), the STGB can also migrate via the glide of the TDs and climb of the intrinsic GBDs. However, compared to case (2), boundary migration is difficult because the intrinsic GBDs impede the motion of the TDs. These correlations will significantly benefit the development of multi-scale materials modeling tools. Published by Elsevier Ltd. C1 [Wang, J.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Tome, Carlos/D-5058-2013; Beyerlein, Irene/A-4676-2011; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU Office of Basic Energy Sciences [FWP 06SCPE401]; Los Alamos National Laboratory Directed Research and Development (LDRD) [ER20140450]; Office of Basic Energy Sciences under US DOE [W-7405-ENG-36] FX The authors gratefully acknowledge support from Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE Contract No. W-7405-ENG-36. JW also thanks the support provided by the Los Alamos National Laboratory Directed Research and Development (LDRD) Project ER20140450. NR 93 TC 35 Z9 35 U1 14 U2 79 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 MAY PY 2014 VL 56 BP 156 EP 172 DI 10.1016/j.ijplas.2013.11.009 PG 17 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AE6EI UT WOS:000334083000008 ER PT J AU Yoon, JW Lou, YS Yoon, J Glazoff, MV AF Yoon, Jeong Whan Lou, Yanshan Yoon, Jonghun Glazoff, Michael V. TI Asymmetric yield function based on the stress invariants for pressure sensitive metals SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Strength differential effect; Plastic anisotropy; Lode dependence; Sheet-bulk metal forming ID ALUMINUM-ALLOY SHEETS; NONASSOCIATED FLOW RULE; MECHANICAL RESPONSE; ORTHOTROPIC PLASTICITY; TEXTURE DEVELOPMENT; DUCTILE FRACTURE; CRITERION; DEFORMATION; TRIAXIALITY; DEPENDENCE AB A general asymmetric yield function is proposed with dependence on the stress invariants for pressure sensitive metals. The pressure sensitivity of the proposed yield function is consistent with the experimental result of Spitzig and Richmond (1984) for steel and aluminum alloys while the asymmetry of the third invariant is preserved to model strength differential (SD) effect of pressure insensitive materials. The proposed yield function is transformed in the space of the stress triaxaility, the von Mises stress and the normalized invariant to theoretically investigate the possible reason of the SD effect. The proposed plasticity model is further extended to characterize the anisotropic behavior of metals both in tension and compression. The extension of the yield function is realized by introducing two distinct fourth-order linear transformation tensors of the stress tensor for the second and third invariants, respectively. The extended yield function reasonably models the evolution of yield surfaces for a zirconium clock-rolled plate during in-plane and throughthickness compression reported by Plunkett et al. (2007). The extended yield function is also applied to describe the orthotropic behavior of a face-centered cubic metal of AA 2008-T4 and two hexagonal close-packed metals of high-purity a-titanium and AZ31 magnesium alloy. The orthotropic behavior predicted by the generalized model is compared with experimental results of these metals. The comparison validates that the proposed yield function provides sufficient predictability on SD effect and anisotropic behavior both in tension and compression. When it is necessary to consider r-value anisotropy, the proposed function is efficient to be used with non-associated flow plasticity by introducing a separate plastic potential for the consideration of r-values as shown in Stoughton and Yoon (2004, 2009). (c) 2013 Elsevier Ltd. All rights reserved. C1 [Yoon, Jeong Whan] Deakin Univ, Sch Engn, Geelong, Vic 3216, Australia. [Yoon, Jeong Whan] Deakin Univ, Inst Frontier Mat, Geelong, Vic 3216, Australia. [Lou, Yanshan] Swinburne Univ Technol, Fac Engn & Ind Sci, Hawthorn, Vic 3122, Australia. [Yoon, Jonghun] Korea Inst Mat Sci, Mat Deformat Dept, Chang Won, Kyungnam, South Korea. [Glazoff, Michael V.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Yoon, JW (reprint author), Deakin Univ, Sch Engn, Geelong, Vic 3216, Australia. EM j.yoon@deakin.edu.au; yanshanlou@gmail.com RI Lou, Yanshan/H-4366-2011; Yoon, Jeong Whan/N-9471-2015; OI Yoon, Jeong Whan/0000-0002-7616-5253; Lou, Yanshan/0000-0002-9482-4814 NR 48 TC 22 Z9 23 U1 2 U2 23 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 MAY PY 2014 VL 56 BP 184 EP 202 DI 10.1016/j.ijplas.2013.11.008 PG 19 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AE6EI UT WOS:000334083000010 ER PT J AU Stoppel, WL White, JC Horava, SD Henry, AC Roberts, SC Bhatia, SR AF Stoppel, Whitney L. White, Joseph C. Horava, Sarena D. Henry, Anna C. Roberts, Susan C. Bhatia, Surita R. TI Terminal sterilization of alginate hydrogels: Efficacy and impact on mechanical properties SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART B-APPLIED BIOMATERIALS LA English DT Article DE Pluronic (R) F68; alginate; rheology; composite hydrogel; terminal sterilization ID HYDROPHOBICALLY-MODIFIED ALGINATE; MOLECULAR-WEIGHT DISTRIBUTION; DRUG-DELIVERY SYSTEMS; WOUND DRESSINGS; IN-VITRO; DEGRADATION; ENCAPSULATION; TRANSPORT; FIBER AB Terminal, or postprocessing, sterilization of composite biomaterials is crucial for their use in wound healing and tissue-engineered devices. Recent research has focused on optimizing traditional biomaterial formulations to create better products for commercial and academic use which incorporate hydrophobic compounds or secondary gel networks. To use a hydrogel in a clinical setting, terminal sterilization is necessary to ensure patient safety. Lyophilization, gamma-irradiation, and ethylene oxide treatment all have negative consequences when applied to alginate scaffolds for clinical use. Here, we aim to find alternative terminal sterilization methods for alginate and alginate-based composite hydrogels which maintain the structure of composite alginate networks for use in biomedical applications. A thorough investigation of the effect of common sterilization methods on swollen alginate-based hydrogels has not been reported and therefore, this work examines autoclaving, ethanol washing, and ultraviolet light as sterilization techniques for alginate and alginate/Pluronic (R) F68 composite hydrogels. Preservation of structural integrity is evaluated using shear rheology and analysis of water retention, and efficacy of sterilization is determined via bacterial persistence within the hydrogel. Results indicate that ethanol sterilization is the best method of those investigated because ethanol washing results in minimal effects on mechanical properties and water retention and eliminates bacterial persistence. Furthermore, this study suggests that ethanol treatment is an efficacious method for terminally sterilizing interpenetrating networks or other composite hydrogel systems. (c) 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 102B: 877-884, 2014. C1 [Stoppel, Whitney L.; White, Joseph C.; Horava, Sarena D.; Henry, Anna C.; Roberts, Susan C.; Bhatia, Surita R.] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. [Bhatia, Surita R.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Bhatia, Surita R.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11793 USA. RP Stoppel, WL (reprint author), Univ Texas Austin, Austin, TX 78712 USA. EM surita.bhatia@stonybrook.edu RI Bhatia, Surita/B-4536-2008; White, Joe/I-8148-2015 FU National Science Foundation (NSF) [CMMI-0531171]; University of Massachusetts Commercial Ventures and Intellectual Property Office; NSF [DMR-0213695, DGE-0654128]; National Research Service Award from the National Institutes of Health [T32 GM08515]; University of Massachusetts Commonwealth Honors College; University of Massachusetts Amherst Institute for Cellular Engineering NSF Research Experience for Undergraduates [EEC-1005083] FX Contract grant sponsor: National Science Foundation (NSF)-sponsored Center for Hierarchical Manufacturing;; contract grant number: CMMI-0531171; Contract grant sponsor: University of Massachusetts Commercial Ventures and Intellectual Property Office; Contract grant sponsor: NSF-funded Materials Research Science and Engineering Center (MRSEC) on Polymers;; contract grant number: DMR-0213695; Contract grant sponsor: National Research Service Award from the National Institutes of Health (to W. L. S.);; contract grant number: T32 GM08515; Contract grant sponsor: NSF-sponsored Institute for Cellular Engineering IGERT program;; contract grant number: DGE-0654128 (to W. L. S.); Contract grant sponsor: NSF-sponsored Institute for Cellular Engineering IGERT program (to J.C.W.);; contract grant number: DGE-0654128; Contract grant sponsor: University of Massachusetts Commonwealth Honors College (to S. D. H); Contract grant sponsor: University of Massachusetts Amherst Institute for Cellular Engineering NSF Research Experience for Undergraduates (to A. C. H.);; contract grant number: EEC-1005083 NR 37 TC 6 Z9 6 U1 4 U2 41 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1552-4973 EI 1552-4981 J9 J BIOMED MATER RES B JI J. Biomed. Mater. Res. Part B PD MAY PY 2014 VL 102 IS 4 BP 877 EP 884 DI 10.1002/jbm.b.33070 PG 8 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AE8IT UT WOS:000334244300026 PM 24259507 ER PT J AU Sharova, TY Ahmed, M Han, H Poterlowicz, K Mostoslavsky, G Kohwi-Shigematsu, T Botchkarev, VA Sharov, A AF Sharova, T. Y. Ahmed, M. Han, H. Poterlowicz, K. Mostoslavsky, G. Kohwi-Shigematsu, T. Botchkarev, V. A. Sharov, A. TI Chromatin organizer and AT-rich binding protein Satb1 controls re-organization of lineage-specific differentiation programs during keratinocyte reprogramming towards the induced pluripotent state SO JOURNAL OF INVESTIGATIVE DERMATOLOGY LA English DT Meeting Abstract CT Annual Meeting of the Society-for-Investigative-Dermatology (SID) CY MAY 07-10, 2014 CL Albuquerque, NM SP Soc Invest Dermatol C1 [Sharova, T. Y.; Botchkarev, V. A.; Sharov, A.] Boston Univ, Boston, MA 02215 USA. [Mostoslavsky, G.] Boston Univ, Ctr Regenerat Med, Boston, MA 02215 USA. [Han, H.; Kohwi-Shigematsu, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, San Francisco, CA USA. [Ahmed, M.; Poterlowicz, K.; Botchkarev, V. A.] Univ Bradford, Sch Life Sci, Ctr Skin Sci, Bradford BD7 1DP, W Yorkshire, England. NR 0 TC 0 Z9 0 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0022-202X EI 1523-1747 J9 J INVEST DERMATOL JI J. Invest. Dermatol. PD MAY PY 2014 VL 134 SU 1 MA 254 BP S44 EP S44 PG 1 WC Dermatology SC Dermatology GA AF2RT UT WOS:000334560400254 ER PT J AU Ma, YF Madupu, R Karaoz, U Nossa, CW Yang, LY Yooseph, S Yachimski, PS Brodie, EL Nelson, KE Pei, ZH AF Ma, Yingfei Madupu, Ramana Karaoz, Ulas Nossa, Carlos W. Yang, Liying Yooseph, Shibu Yachimski, Patrick S. Brodie, Eoin L. Nelson, Karen E. Pei, Zhiheng TI Human Papillomavirus Community in Healthy Persons, Defined by Metagenomics Analysis of Human Microbiome Project Shotgun Sequencing Data Sets SO JOURNAL OF VIROLOGY LA English DT Article ID HPV PREVALENCE SURVEYS; CERVICAL-CANCER; POOLED ANALYSIS; SQUAMOUS-CELL; ORAL-MUCOSA; VIRUS TYPES; INFECTION; WOMEN; TRANSMISSION; VACCINATION AB Human papillomavirus (HPV) causes a number of neoplastic diseases in humans. Here, we show a complex normal HPV community in a cohort of 103 healthy human subjects, by metagenomics analysis of the shotgun sequencing data generated from the NIH Human Microbiome Project. The overall HPV prevalence was 68.9% and was highest in the skin (61.3%), followed by the vagina (41.5%), mouth (30%), and gut (17.3%). Of the 109 HPV types as well as additional unclassified types detected, most were undetectable by the widely used commercial kits targeting the vaginal/cervical HPV types. These HPVs likely represent true HPV infections rather than transitory exposure because of strong organ tropism and persistence of the same HPV types in repeat samples. Coexistence of multiple HPV types was found in 48.1% of the HPV-positive samples. Networking between HPV types, cooccurrence or exclusion, was detected in vaginal and skin samples. Large contigs assembled from short HPV reads were obtained from several samples, confirming their genuine HPV origin. This first large-scale survey of HPV using a shotgun sequencing approach yielded a comprehensive map of HPV infections among different body sites of healthy human subjects. C1 [Ma, Yingfei; Yang, Liying; Pei, Zhiheng] NYU, Sch Med, New York, NY 10012 USA. [Madupu, Ramana; Nelson, Karen E.] J Craig Venter Inst, Rockville, MD USA. [Karaoz, Ulas; Nelson, Karen E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, Berkeley, CA 94720 USA. [Nossa, Carlos W.] Gene Gene Ltd, Houston, TX USA. [Yooseph, Shibu] J Craig Venter Inst, La Jolla, CA USA. [Yachimski, Patrick S.] Vanderbilt Univ, Sch Med, Nashville, TN 37212 USA. [Pei, Zhiheng] Dept Vet Affairs New York Harbor Healthcare Syst, New York, NY USA. RP Pei, ZH (reprint author), NYU, Sch Med, New York, NY 10012 USA. EM zhiheng.pei@nyumc.org RI Brodie, Eoin/A-7853-2008; Karaoz, Ulas/J-7093-2014; OI Brodie, Eoin/0000-0002-8453-8435; Yang, Liying/0000-0003-1442-4915; Pei, Zhiheng/0000-0001-8570-6747 FU Human Microbiome Project of the NIH Roadmap Initiative [UH3CA140233]; National Cancer Institute [U01CA18237]; Department of Veterans Affairs, Veterans Health Administration, Office of Research and Development FX This work was supported in part by grants UH3CA140233 from the Human Microbiome Project of the NIH Roadmap Initiative and U01CA18237 from the National Cancer Institute and by the Department of Veterans Affairs, Veterans Health Administration, Office of Research and Development. NR 63 TC 20 Z9 22 U1 3 U2 31 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD MAY PY 2014 VL 88 IS 9 BP 4786 EP 4797 DI 10.1128/JVI.00093-14 PG 12 WC Virology SC Virology GA AE9TT UT WOS:000334353900017 PM 24522917 ER PT J AU Neumann, G Macken, CA Kawaoka, Y AF Neumann, Gabriele Macken, Catherine A. Kawaoka, Yoshihiro TI Identification of Amino Acid Changes That May Have Been Critical for the Genesis of A(H7N9) Influenza Viruses SO JOURNAL OF VIROLOGY LA English DT Article ID RESPIRATORY DROPLET TRANSMISSION; A H7N9 VIRUS; RECEPTOR-BINDING; MEMBRANE-FUSION; H5N1 VIRUSES; GENETIC-CHARACTERIZATION; 3-DIMENSIONAL STRUCTURE; HISTIDINE PROTONATION; NONSTRUCTURAL GENE; MAXIMUM-LIKELIHOOD AB Novel influenza A viruses of the H7N9 subtype [A(H7N9)] emerged in the spring of 2013 in China and had infected 163 people as of 10 January 2014; 50 of them died of the severe respiratory infection caused by these viruses. Phylogenetic studies have indicated that the novel A(H7N9) viruses emerged from reassortment of H7, N9, and H9N2 viruses. Inspections of protein sequences from A(H7N9) viruses and their immediate predecessors revealed several amino acid changes in A(H7N9) viruses that may have facilitated transmission and replication in the novel host. Since mutations that occurred more ancestrally may also have contributed to the genesis of A(H7N9) viruses, we inferred historical evolutionary events leading to the novel viruses. We identified a number of amino acid changes on the evolutionary path to A(H7N9) viruses, including substitutions that may be associated with host range, replicative ability, and/or host responses to infection. The biological significance of these amino acid changes can be tested in future studies. C1 [Neumann, Gabriele; Kawaoka, Yoshihiro] Univ Wisconsin, Sch Vet Med, Dept Pathobiol Sci, Madison, WI 53706 USA. [Macken, Catherine A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Kawaoka, Yoshihiro] Univ Tokyo, Inst Med Sci, Dept Microbiol & Immunol, Div Virol, Tokyo, Japan. [Kawaoka, Yoshihiro] Japan Sci & Technol Agcy, ERATO Infect Induced Host Responses Project, Saitama, Japan. [Kawaoka, Yoshihiro] Univ Tokyo, Inst Med Sci, Int Res Ctr Infect Dis, Dept Special Pathogens, Tokyo, Japan. [Kawaoka, Yoshihiro] Kyoto Univ, Inst Virus Res, Dept Biol Responses, Lab Bioresponses Regulat, Kyoto 606, Japan. RP Kawaoka, Y (reprint author), Univ Wisconsin, Sch Vet Med, Dept Pathobiol Sci, Madison, WI 53706 USA. EM kawaokay@svm.vetmed.wisc.edu FU Japan Initiative for Global Research Network on Infectious Diseases from the Ministry of Education, Culture, Sports, Science and Technology, Japan; Ministry of Health, Labor and Welfare, Japan; ERATO (Japan Science and Technology Agency); NIAID-funded Center for Research on Influenza Pathogenesis (CRIP) [HHSN266200700010C] FX This work was supported by the Japan Initiative for Global Research Network on Infectious Diseases from the Ministry of Education, Culture, Sports, Science and Technology, Japan; by grants-in-aid from the Ministry of Health, Labor and Welfare, Japan; by ERATO (Japan Science and Technology Agency); and by an NIAID-funded Center for Research on Influenza Pathogenesis (CRIP; HHSN266200700010C) grant to Y.K. NR 89 TC 17 Z9 19 U1 1 U2 19 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD MAY PY 2014 VL 88 IS 9 BP 4877 EP 4896 DI 10.1128/JVI.00107-14 PG 20 WC Virology SC Virology GA AE9TT UT WOS:000334353900024 PM 24522919 ER PT J AU Hejazi, MI Cai, XM Yuan, X Liang, XZ Kumar, P AF Hejazi, Mohamad I. Cai, Ximing Yuan, Xing Liang, Xin-Zhong Kumar, Praveen TI Incorporating Reanalysis-Based Short-Term Forecasts from a Regional Climate Model in an Irrigation Scheduling Optimization Problem SO JOURNAL OF WATER RESOURCES PLANNING AND MANAGEMENT LA English DT Article DE Regional climate model; Weather forecast; Irrigation scheduling; Optimization; Bias correction; Dynamic downscaling ID WATER PRODUCTION-FUNCTIONS; OPTIMAL CROPPING PATTERNS; WEATHER FORECASTS; SUPPLEMENTAL IRRIGATION; DECISION-MODEL; PART I; SIMULATION; PARAMETERIZATION; PRECIPITATION; PREDICTION AB A coupled simulation-optimization with reanalysis-based short-term weather forecasts from a regional climate model (RCM) is proposed to optimize an irrigation scheduling problem. Using different physical configurations of the climate extension of a weather research and forecasting model (CWRF) that is driven by national atmospheric model project reanalysis data, five ensemble outlooks of 15 consecutive daily forecasts have been generated during five different crop-growing seasons. Six daily climatic variables are forecasted, namely, rainfall, minimum temperature, maximum temperature, humidity, wind speed, and solar radiation. To correct the forecasts for any inherent bias, the quantile mapping method is applied to all six daily climatic variables. After bias correction, a skill assessment of the reanalysis-based RCM forecasts indicate that only the first three climatic variables are predicted with reliable accuracy; thus, average climatic means are used to replace the remaining three variables (humidity, wind speed, and solar radiation). The framework is applied to the Havana Lowlands region, Illinois, as a case study, and the value of forecasts is assessed against two baseline scenarios: no-rain forecast (a pessimistic case) and average climatology (a normal case). Using reanalysis-based RCM forecasts to guide farmers' irrigation decisions could yield about 1-3% in expected profit gain and 4-6% in water reduction when compared to the no-rain forecast scenario, and 1-6% in expected profit gain when compared to the average climatology scenario. This study is a first preliminary attempt to use an ensemble of weather simulations in the optimization of irrigation scheduling, and the developed framework can be used to incorporate operational forecasting once the reanalysis boundary is replaced by global weather forecasts. C1 [Hejazi, Mohamad I.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Hejazi, Mohamad I.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Cai, Ximing] Univ Illinois, Dept Civil & Environm Engn, Hydrosyst Lab 2535C, Urbana, IL 61801 USA. [Yuan, Xing] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Yuan, Xing; Liang, Xin-Zhong] Univ Illinois, Illinois State Water Survey, Dept Nat Resources, Urbana, IL 61801 USA. [Liang, Xin-Zhong] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20740 USA. [Liang, Xin-Zhong] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. [Kumar, Praveen] Univ Illinois, Dept Civil & Environm Engn, Hydrosyst Lab 2527B, Urbana, IL 61801 USA. RP Cai, XM (reprint author), Univ Illinois, Dept Civil & Environm Engn, Hydrosyst Lab 2535C, 301 N Mathews Ave, Urbana, IL 61801 USA. EM xmcai@illinois.edu RI Yuan, Xing/G-8392-2011; Kumar, Praveen/D-2036-2010 OI Yuan, Xing/0000-0001-6983-7368; Kumar, Praveen/0000-0002-4787-0308 FU NASA grant [NNX08AL94G] FX The funding support for this study came from NASA grant NNX08AL94G. The authors appreciate the constructive comments by the AE and the anonymous reviewers. NR 60 TC 5 Z9 5 U1 1 U2 27 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9496 EI 1943-5452 J9 J WATER RES PLAN MAN JI J. Water Resour. Plan. Manage.-ASCE PD MAY 1 PY 2014 VL 140 IS 5 BP 699 EP 713 DI 10.1061/(ASCE)WR.1943-5452.0000365 PG 15 WC Engineering, Civil; Water Resources SC Engineering; Water Resources GA AF1AF UT WOS:000334445800015 ER PT J AU Zaehle, S Medlyn, BE De Kauwe, MG Walker, AP Dietze, MC Hickler, T Luo, YQ Wang, YP El-Masri, B Thornton, P Jain, A Wang, SS Warlind, D Weng, ES Parton, W Iversen, CM Gallet-Budynek, A McCarthy, H Finzi, AC Hanson, PJ Prentice, IC Oren, R Norby, RJ AF Zaehle, Soenke Medlyn, Belinda E. De Kauwe, Martin G. Walker, Anthony P. Dietze, Michael C. Hickler, Thomas Luo, Yiqi Wang, Ying-Ping El-Masri, Bassil Thornton, Peter Jain, Atul Wang, Shusen Warlind, David Weng, Ensheng Parton, William Iversen, Colleen M. Gallet-Budynek, Anne McCarthy, Heather Finzi, Adrien C. Hanson, Paul J. Prentice, I. Colin Oren, Ram Norby, Richard J. TI Evaluation of 11 terrestrial carbon-nitrogen cycle models against observations from two temperate Free-Air CO2 Enrichment studies SO NEW PHYTOLOGIST LA English DT Article DE carbon (C) storage; CO2 fertilization; ecosystem modelling; elevated CO2; Free-Air CO2; Enrichment (FACE); model evaluation; nitrogen (N) limitation; plant physiology ID GLOBAL VEGETATION MODELS; LIGHT-USE EFFICIENCY; ELEVATED CO2; FOREST PRODUCTIVITY; ATMOSPHERIC CO2; SOIL CARBON; SWEETGUM PLANTATION; CANOPY PRODUCTION; DECIDUOUS FOREST; PINE FOREST AB We analysed the responses of 11 ecosystem models to elevated atmospheric [CO2] (eCO(2)) at two temperate forest ecosystems (Duke and Oak Ridge National Laboratory (ORNL) Free-Air CO2 Enrichment (FACE) experiments) to test alternative representations of carbon (C)-nitrogen (N) cycle processes. We decomposed the model responses into component processes affecting the response to eCO(2) and confronted these with observations from the FACE experiments. Most of the models reproduced the observed initial enhancement of net primary production (NPP) at both sites, but none was able to simulate both the sustained 10-yr enhancement at Duke and the declining response at ORNL: models generally showed signs of progressive N limitation as a result of lower than observed plant N uptake. Nonetheless, many models showed qualitative agreement with observed component processes. The results suggest that improved representation of above-ground-below-ground interactions and better constraints on plant stoichiometry are important for a predictive understanding of eCO(2) effects. Improved accuracy of soil organic matter inventories is pivotal to reduce uncertainty in the observed C-N budgets. The two FACE experiments are insufficient to fully constrain terrestrial responses to eCO(2), given the complexity of factors leading to the observed diverging trends, and the consequential inability of the models to explain these trends. Nevertheless, the ecosystem models were able to capture important features of the experiments, lending some support to their projections. C1 [Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07745 Jena, Germany. [Medlyn, Belinda E.; De Kauwe, Martin G.; Prentice, I. Colin] Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia. [Walker, Anthony P.; Thornton, Peter; Iversen, Colleen M.; Hanson, Paul J.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Div Environm Sci, Oak Ridge, TN 37831 USA. [Dietze, Michael C.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA. [Hickler, Thomas] Senckenberg Gesell Nat Forsch, Biodivers & Climate Res Ctr BiK F, D-60325 Frankfurt, Germany. [Hickler, Thomas] Goethe Univ Frankfurt, Dept Phys Geog, D-60438 Frankfurt, Germany. [Luo, Yiqi; McCarthy, Heather] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Wang, Ying-Ping] CSIRO Marine & Atmospher Res, Aspendale, Vic 3195, Australia. [El-Masri, Bassil; Jain, Atul] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. [Wang, Shusen] Nat Resources Canada, Canada Ctr Mapping & Earth Observat, Ottawa, ON K1A 0Y7, Canada. [Warlind, David] Lund Univ, Dept Phys Geog & Ecosyst Sci, SE-22362 Lund, Sweden. [Weng, Ensheng] Princeton Univ, Dept Ecol & Evolutionary Biol, Princeton, NJ 08544 USA. [Parton, William] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Gallet-Budynek, Anne] INRA, TCEM UMR1220, F-33882 Villenave Dornon, France. [Gallet-Budynek, Anne] Univ Bordeaux, TCEM UMR1220, F-33175 Gradignan, France. [Finzi, Adrien C.] Boston Univ, Dept Biol, Boston, MA 02215 USA. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, AXA Chair Biosphere & Climate Impacts, Ascot SL5 7PY, Berks, England. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, Grantham Inst Climate Change, Ascot SL5 7PY, Berks, England. [Oren, Ram] Duke Univ, Nicholas Sch Environm, Div Environm Sci & Policy, Durham, NC 27708 USA. [Oren, Ram] Swedish Univ Agr Sci SLU, Dept Forest Ecol & Management, SE-90183 Umea, Sweden. RP Zaehle, S (reprint author), Max Planck Inst Biogeochem, Biogeochem Integrat Dept, Hans Knoll Str 10, D-07745 Jena, Germany. EM szaehle@bgc-jena.mpg.de RI Walker, Anthony/G-2931-2016; Weng, Ensheng/E-4390-2012; wang, yp/A-9765-2011; Dietze, Michael/A-5834-2009; Warlind, David/A-5109-2015; Hanson, Paul J./D-8069-2011; Norby, Richard/C-1773-2012; Finzi, Adrien/A-7017-2016; Jain, Atul/D-2851-2016; Hickler, Thomas/S-6287-2016; Zaehle, Sonke/C-9528-2017; Thornton, Peter/B-9145-2012 OI Medlyn, Belinda/0000-0001-5728-9827; Wang, Shusen/0000-0003-1860-899X; Walker, Anthony/0000-0003-0557-5594; Weng, Ensheng/0000-0002-1858-4847; Dietze, Michael/0000-0002-2324-2518; Hanson, Paul J./0000-0001-7293-3561; Norby, Richard/0000-0002-0238-9828; Finzi, Adrien/0000-0003-2220-4533; Jain, Atul/0000-0002-4051-3228; Hickler, Thomas/0000-0002-4668-7552; Zaehle, Sonke/0000-0001-5602-7956; Thornton, Peter/0000-0002-4759-5158 FU National Center for Ecological Analysis and Synthesis; National Science Foundation (NSF) [EF-0553768]; University of California, Santa Barbara; State of California; US Department of Energy Office of Science, Biological and Environmental Research Program; FP7 people programme [PERG02-GA-2007-224775, 238366]; ARC [DP1094791]; Hesse's Ministry of Higher Education; [FACE]; [DE-FG02-95ER62083] FX This study was conducted as part of the 'Benchmarking ecosystem response models with experimental data from long-term CO2 enrichment experiments' Working Group supported by the National Center for Ecological Analysis and Synthesis, a Center funded by the National Science Foundation (NSF) (Grant #EF-0553768), the University of California, Santa Barbara and the State of California. The ORNL and Duke FACE sites and additional synthesis activities were supported by the US Department of Energy Office of Science, Biological and Environmental Research Program. In particular, Duke FACE research was supported under grant number FACE, DE-FG02-95ER62083). S.Z. was supported by the FP7 people programme through grant nos PERG02-GA-2007-224775 and 238366. M.G.D.K. and B.E-M. were supported by ARC Discovery Grant DP1094791, and T.H. by the research funding programme 'LOEWE-Landesoffensive zur Entwicklung wissenschaftlich-okonomischer Exzellenz' of Hesse's Ministry of Higher Education. NR 79 TC 86 Z9 86 U1 18 U2 163 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD MAY PY 2014 VL 202 IS 3 BP 803 EP 822 DI 10.1111/nph.12697 PG 20 WC Plant Sciences SC Plant Sciences GA AE4UW UT WOS:000333981500013 PM 24467623 ER PT J AU Zhang, XS Sahajpal, R Manowitz, DH Zhao, KG LeDuc, SD Xu, M Xiong, W Zhang, AP Izaurralde, RC Thomson, AM West, TO Post, WM AF Zhang, Xuesong Sahajpal, Ritvik Manowitz, David H. Zhao, Kaiguang LeDuc, Stephen D. Xu, Min Xiong, Wei Zhang, Aiping Izaurralde, Roberto C. Thomson, Allison M. West, Tristram O. Post, Wilfred M. TI Multi-scale geospatial agroecosystem modeling: A case study on the influence of soil data resolution on carbon budget estimates SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Climate change; Net Ecosystem Production; EPIC; Parallel computing; Spatial resolution; SSURGO; STATSGO ID SURVEY GEOGRAPHIC DATABASE; WATER ASSESSMENT-TOOL; LAND-USE; LONG-TERM; SEQUESTRATION; SUSTAINABILITY; DYNAMICS; SCALE; CROPLANDS; BIOFUELS AB The development of effective measures to stabilize atmospheric CO2 concentration and mitigate negative impacts of climate change requires accurate quantification of the spatial variation and magnitude of the terrestrial carbon (C) flux. However, the spatial pattern and strength of terrestrial C sinks and sources remain uncertain. In this study, we designed a spatially-explicit agroecosystem modeling system by integrating the Environmental Policy Integrated Climate (EPIC) model with multiple sources of geospatial and surveyed datasets (including crop type map, elevation, climate forcing, fertilizer application, tillage type and distribution, and crop planting and harvesting date), and applied it to examine the sensitivity of cropland C flux simulations to two widely used soil databases (i.e. State Soil Geographic-STATSGO of a scale of 1:250,000 and Soil Survey Geographic-SSURGO of a scale of 1:24,000) in Iowa, USA. To efficiently execute numerous EPIC runs resulting from the use of high resolution spatial data (56 m), we developed a parallelized version of EPIC. Both STATSGO and SSURGO led to similar simulations of crop yields and Net Ecosystem Production (NEP) estimates at the State level. However, substantial differences were observed at the county and sub-county (grid) levels. In general, the fine resolution SSURGO data outperformed the coarse resolution STATSGO data for county-scale crop-yield simulation, and within STATSGO, the area-weighted approach provided more accurate results. Further analysis showed that spatial distribution and magnitude of simulated NEP were more sensitive to the resolution difference between SSURGO and STATSGO at the county or grid scale. For over 60% of the cropland areas in Iowa, the deviations between STATSGO- and SSURGO-derived NEP were larger than 1 Mg C ha(-1) yr(-1), or about half of the average cropland NEP, highlighting the significant uncertainty in spatial distribution and magnitude of simulated C fluxes resulting from differences in soil data resolution. (C) 2014 Elsevier B.V. All rights reserved. C1 [Zhang, Xuesong; Manowitz, David H.; Izaurralde, Roberto C.; Thomson, Allison M.; West, Tristram O.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Zhang, Xuesong; Manowitz, David H.; Izaurralde, Roberto C.; Thomson, Allison M.; West, Tristram O.] Univ Maryland, College Pk, MD 20740 USA. [Sahajpal, Ritvik; Izaurralde, Roberto C.] Univ Maryland, Dept Geog Sci, College Pk, MD 20740 USA. [Zhao, Kaiguang] Ohio State Univ, Sch Environm & Nat Resources, Ohio Agr Res & Dev Ctr, Wooster, OH 44691 USA. [LeDuc, Stephen D.] US EPA, Natl Ctr Environm Assessment, Arlington, VA 22202 USA. [Xu, Min] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20740 USA. [Xiong, Wei; Zhang, Aiping] Chinese Acad Agr Sci, Inst Environm & Sustainable Dev Agr, Beijing 100081, Peoples R China. [Post, Wilfred M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Zhang, XS (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 1200, College Pk, MD 20740 USA. EM xuesong.zhang@pnnl.gov RI Thomson, Allison/B-1254-2010; xiong, wei/O-1782-2014; Zhao, Kaiguang/D-1172-2010; zhang, xuesong/B-7907-2009; OI sahajpal, ritvik/0000-0002-6418-289X; Xu, Min/0000-0003-3443-0300 FU DOE Great Lakes Bioenergy Research Center [DE-FC02-07ER64494, KP1601050, DOE EERE OBP 20469-19145]; NASA [NNH08ZDA001N, NNH12AU031]; USDA [CSREES-2009-34263-19774 (G-1449-1), NIFA-2010-34263-21075 (G-1470-3)] FX We sincerely appreciate the valuable comments provided by the anonymous reviewers, which greatly improved the quality of this paper. This work was partially funded by 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), NASA (NNH08ZDA001N and NNH12AU031), and USDA (CSREES-2009-34263-19774 (G-1449-1) and NIFA-2010-34263-21075 (G-1470-3)). The views expressed here are those of the authors and do not necessarily represent the views or policies of the U.S. Environmental Protection Agency. NR 58 TC 12 Z9 12 U1 0 U2 45 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 MAY 1 PY 2014 VL 479 BP 138 EP 150 DI 10.1016/j.scitotenv.2014.01.099 PG 13 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CZ UT WOS:000334006700017 PM 24561293 ER PT J AU Lykken, J Spiropulu, M AF Lykken, Joseph Spiropulu, Maria TI Supersymmetry and the Crisis in Physics SO SCIENTIFIC AMERICAN LA English DT Article C1 [Lykken, Joseph] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Spiropulu, Maria] CALTECH, Pasadena, CA 91125 USA. RP Lykken, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 0 TC 10 Z9 10 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0036-8733 J9 SCI AM JI Sci.Am. PD MAY PY 2014 VL 310 IS 5 BP 34 EP 39 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AF2QB UT WOS:000334555600028 PM 24783589 ER PT J AU Jiang, DQ Hao, S Zhang, JS Liu, YN Ren, Y Cui, LS AF Jiang, Daqiang Hao, Shijie Zhang, Junsong Liu, Yinong Ren, Yang Cui, Lishan TI In situ synchrotron investigation of the deformation behavior of nanolamellar Ti5Si3/TiNi composite SO SCRIPTA MATERIALIA LA English DT Article DE Composites; Shape memory alloy; NiTi; Synchrotron; Strain matching ID NITI-TIC COMPOSITES; SHAPE-MEMORY COMPOSITE; MARTENSITE REORIENTATION; MECHANICAL-PROPERTIES; MATRIX COMPOSITE; ELASTIC STRAIN; ALLOY; STRENGTH; TRANSFORMATION; TEMPERATURE AB An in situ nanolamellar Ti5Si3/TiNi composite is prepared by arc melting based on the design principle of load sharing between a hard component and a phase transforming matrix. The composite showed a compressive strength of similar to 2.5 GPa and a fracture strain of similar to 35%. In situ synchrotron X-ray diffraction analysis revealed stage-wise load transfer between the two components and the achievement of 2.1% lattice elastic strain of the brittle ceramic compound Ti5Si3, demonstrating the effectiveness of strain matching design. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Jiang, Daqiang; Hao, Shijie; Zhang, Junsong; Cui, Lishan] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Liu, Yinong] Univ Western Australia, Sch Mech & Chem Engn, Crawley, WA 6009, Australia. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Jiang, DQ (reprint author), China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. EM dq80jiang@126.com; lscui@cup.edu.cn RI Liu, Yinong/G-6637-2011; Jiang, Daqiang /G-5511-2014 OI Liu, Yinong/0000-0002-8784-8543; FU National Natural Science Foundation of China [51001119, 51231008]; National 973 programs of China [2012CB619403]; Beijing Higher Education Young Elite Teacher Project [YETP0686]; Key Project of Chinese Ministry of Education [313055]; Australian Research Council [DP140103805]; US Department of Energy, Office of Science; Office of Basic Energy Science [DE-AC02-06CH11357] FX This work was supported by the National Natural Science Foundation of China (Grant Nos. 51001119, 51231008), the National 973 programs of China (2012CB619403), Beijing Higher Education Young Elite Teacher Project (YETP0686), the Key Project of Chinese Ministry of Education (313055) and the Australian Research Council (Grant No. DP140103805). The use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science and Office of Basic Energy Science, under Contract No. DE-AC02-06CH11357. NR 31 TC 7 Z9 7 U1 5 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAY PY 2014 VL 78-79 BP 53 EP 56 DI 10.1016/j.scriptamat.2014.01.034 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AE6WO UT WOS:000334138900014 ER PT J AU Moran-Lopez, JT Schilling, O AF Moran-Lopez, J. T. Schilling, O. TI Multi-component Reynolds-averaged Navier-Stokes simulations of Richtmyer-Meshkov instability and mixing induced by reshock at different times SO SHOCK WAVES LA English DT Article DE Richtmyer-Meshkov instability; Reshock; Reynolds-averaged Navier-Stokes (RANS); Turbulence modeling ID AIR/SF6 INTERFACE; RAYLEIGH-TAYLOR; DEPENDENCE; VELOCITY; FLOWS; ORDER; MODEL AB Turbulent mixing generated by shock-driven acceleration of a perturbed interface is simulated using a new multi-component Reynolds-averaged Navier-Stokes (RANS) model closed with a two-equation - model. The model is implemented in a hydrodynamics code using a third-order weighted essentially non-oscillatory finite-difference method for the advection terms and a second-order central difference method for the gradients in the source and diffusion terms. In the present reshocked Richtmyer-Meshkov instability and mixing study, an incident shock with Mach number is generated in air and progresses into a sulfur hexafluoride test section. The time evolution of the predicted mixing layer widths corresponding to six shock tube test section lengths are compared with experimental measurements and three-dimensional multi-mode numerical simulations. The mixing layer widths are also compared with the analytical self-similar power-law solution of the simplified model equations prior to reshock. A set of model coefficients and initial conditions specific to these six experiments is established, for which the widths before and after reshock agree very well with experimental and numerical simulation data. A second set of general coefficients that accommodates a broader range of incident shock Mach numbers, Atwood numbers, and test section lengths is also established by incorporating additional experimental data for , , and with and with and previous RANS modeling. Terms in the budgets of the turbulent kinetic energy and dissipation rate equations are examined to evaluate the relative importance of turbulence production, dissipation and diffusion mechanisms during mixing. Convergence results for the mixing layer widths, mean fields, and turbulent fields under grid refinement are presented for each of the cases. C1 [Moran-Lopez, J. T.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Moran-Lopez, J. T.] US DOE, Natl Nucl Secur Adm, Washington, DC 20585 USA. [Schilling, O.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Schilling, O (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM schilling1@llnl.gov OI Schilling, Oleg/0000-0002-0623-2940 FU US Department of Energy National Nuclear Security Administration under the Predictive Science Academic Alliances Program [DE-FC52-08NA28616]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was funded by the US Department of Energy National Nuclear Security Administration under the Predictive Science Academic Alliances Program by grant DE-FC52-08NA28616 and performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC52-07NA27344. NR 40 TC 2 Z9 2 U1 2 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0938-1287 EI 1432-2153 J9 SHOCK WAVES JI Shock Waves PD MAY PY 2014 VL 24 IS 3 BP 325 EP 343 DI 10.1007/s00193-013-0483-2 PG 19 WC Mechanics SC Mechanics GA AF2DC UT WOS:000334521800008 ER PT J AU Azzolina, NA Small, MJ Nakles, DV Bromhal, GS AF Azzolina, Nicholas A. Small, Mitchell J. Nakles, David V. Bromhal, Grant S. TI Effectiveness of subsurface pressure monitoring for brine leakage detection in an uncertain CO2 sequestration system SO STOCHASTIC ENVIRONMENTAL RESEARCH AND RISK ASSESSMENT LA English DT Article DE CO2 sequestration; Pressure monitoring; Uncertainty; Detection sensitivity; Statistical power; Reduced order model ID GROUNDWATER; AQUIFERS; IMPACTS; STORAGE; WELLS AB This work evaluates the detection sensitivity of deep subsurface pressure monitoring within an uncertain carbon dioxide sequestration system by linking the output of an analytical reduced-order model and first-order uncertainty analysis. A baseline (non-leaky) modeling run was compared against 10 different leakage scenarios, where the cap rock permeability was increased by factors of 2-100 (cap rock permeability from 10(-3) to 10(-1) millidarcy). The uncertainty variance outputs were used to develop percentile estimates and detection sensitivity for pressure throughout the deep subsurface as a function of space (lateral distance from the injection wells and vertical orientation within the reservoir) and time (years since injection), or P(x, z, t). Conditional probabilities were computed for combinations of x, z, and t, which were then used to generate power curves for detecting leakage scenarios. The results suggest that measurements of the absolute change in pressure within the target injection aquifer would not be able to distinguish small leakage rates (i.e., less than 50 x baseline) from baseline conditions, and that only large leakage rates (i.e., > 100 x baseline) would be discriminated with sufficient statistical power (> 99 %). Combining measurements, for example by taking the ratio of formation pressure in Aquifer 2/Aquifer 1, provides better statistical power for distinguishing smaller leakage rates at earlier times in the injection program. Detection sensitivity for pressure is a function of space and time. Therefore, design of an adequate monitoring network for subsurface pressure should account for this space-time variability to ensure that the monitoring system performs to the necessary design criteria, e.g., specific false-negative and false-positive rates. C1 [Azzolina, Nicholas A.; Small, Mitchell J.; Nakles, David V.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Bromhal, Grant S.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Azzolina, NA (reprint author), Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. EM nick.azzolina@gmail.com FU US Department of Energy National Energy Technology Laboratory FX This study was funded by the US Department of Energy National Energy Technology Laboratory. The authors would like to thank Dr. Abdullah Cihan of the Ernest Orlando Lawrence Berkeley National Laboratory for sharing both the FORTRAN model and support for running the model over different scenarios. NR 40 TC 6 Z9 6 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1436-3240 EI 1436-3259 J9 STOCH ENV RES RISK A JI Stoch. Environ. Res. Risk Assess. PD MAY PY 2014 VL 28 IS 4 BP 895 EP 909 DI 10.1007/s00477-013-0788-9 PG 15 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences; Statistics & Probability; Water Resources SC Engineering; Environmental Sciences & Ecology; Mathematics; Water Resources GA AF1AG UT WOS:000334446000012 ER PT J AU Bojanowski, C AF Bojanowski, Cezary TI Numerical modeling of large deformations in soil structure interaction problems using FE, EFG, SPH, and MM-ALE formulations SO ARCHIVE OF APPLIED MECHANICS LA English DT Article DE Soil structure interaction; Large soil deformations; Meshfree methods; Element-free Galerkin; Multi-material arbitrary Lagrangian Eulerian; Smooth particle hydrodynamics ID FINITE-ELEMENT-ANALYSIS; CONE PENETRATION AB Present design practice for soil structure interaction (SSI) problems most frequently assumes linear elastic properties of the soil and disregards geometrical nonlinearities, treating the displacements as small. However, there are numerous problems that require a more advanced approach. This paper presents an application of such numerical approaches to modeling SSI problems in the presence of large soil deformations. Simulations using Lagrangian finite element, element-free Galerkin, smoothed particle hydrodynamics (SPH), and multi-material arbitrary Lagrangian Eulerian (MM-ALE) approaches were performed for two previously conducted experimental tests: (1) large-scale steel pad penetration into silty clay with sand and (2) standard cone penetration test performed on poorly graded sand. In this paper, the usefulness and the efficiency of the methods was assessed in terms of modeling robustness and computational cost. Results show that to some extent each of the utilized methods is able to capture large deformations. However, the most robust turned out to be SPH and MM-ALE methods as the only two that were successful in simulating both experiments. C1 Argonne Natl Lab, Div Energy Syst, Transportat Res & Anal Comp Ctr, Argonne, IL 60439 USA. RP Bojanowski, C (reprint author), Argonne Natl Lab, Div Energy Syst, Transportat Res & Anal Comp Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cbojanowski@anl.gov FU U.S. Department of Transportation FX Argonne National Laboratory is a U.S. Department of Energy laboratory managed by UChicago Argonne, LLC. Argonne's Transportation Research and Analysis Computing Center (TRACC) is funded by the U.S. Department of Transportation. The author acknowledges the strong support for this research from TRACC's Director, Dr. Hubert Ley. The author is grateful for valuable comments and proofreading of Dr. Ronald Kulak and Dr. Steven Lottes. NR 22 TC 6 Z9 7 U1 2 U2 28 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0939-1533 EI 1432-0681 J9 ARCH APPL MECH JI Arch. Appl. Mech. PD MAY PY 2014 VL 84 IS 5 BP 743 EP 755 DI 10.1007/s00419-014-0830-5 PG 13 WC Mechanics SC Mechanics GA AE5XY UT WOS:000334063800009 ER PT J AU Anglin, BS Lebensohn, RA Rollett, AD AF Anglin, B. S. Lebensohn, R. A. Rollett, A. D. TI Validation of a numerical method based on Fast Fourier Transforms for heterogeneous thermoelastic materials by comparison with analytical solutions SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Thermoelasticity; Micromechanical fields; FFT-based spectral method; Thermal stresses; Eshelby inclusion problem ID FINITE-ELEMENT-METHOD; RESIDUAL-STRESS ANALYSIS; TIN WHISKER GROWTH; NONLINEAR COMPOSITES; MICROSTRUCTURE; MECHANICS; EVOLUTION; FIELDS; SCHEME; PLATES AB A numerical method based on Fast Fourier Transforms to compute the thermoelastic response of heterogeneous materials is presented and validated by comparison with analytical solutions of the Eshelby inclusion problem. Spherical and cylindrical, homogeneous and inhomogeneous inclusion configurations are used to validate the results of the proposed spectral method. Dependencies of the numerical solutions on homogeneity, geometry and resolution are also explored, and the differences with respect to known analytical solutions are quantified and discussed. In the case of homogeneous inclusions, the proposed numerical method is direct, i.e. does not require iteration. Using enough resolution, the micromechanical fields predicted for these simple geometries are shown to be in good agreement with the analytical results. The specific way in which inclusions are voxelized is also explored, and its effect on local fields near interfaces is assessed. (C) 2014 Elsevier B. V. All rights reserved. C1 [Anglin, B. S.; Rollett, A. D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Lebensohn, R. A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87455 USA. RP Rollett, AD (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM banglin@andrew.cmu.edu; lebenso@lanl.gov; rollett@andrew.cmu.edu RI Lebensohn, Ricardo/A-2494-2008; Rollett, Anthony/A-4096-2012 OI Lebensohn, Ricardo/0000-0002-3152-9105; Rollett, Anthony/0000-0003-4445-2191 FU National Defense Science and Engineering Graduate (NDSEG) Fellowship; PETTT program FX The authors wish to thank Herve Moulinec and Pierre Suquet (LMA, Marseille, France) for fruitful discussions. BA was supported by a National Defense Science and Engineering Graduate (NDSEG) Fellowship. Use of the blacklight machine at PSC, the hawk and raptor machines at the AFRL DSRC, and harold at the ARL DSRC for completion of this work is also gratefully acknowledged. The support of the PETTT program in general and Dr. James Lill and Dr. James Larentzos in particular is acknowledged. NR 40 TC 14 Z9 14 U1 2 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD MAY PY 2014 VL 87 BP 209 EP 217 DI 10.1016/j.commatsci.2014.02.027 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA AE4SF UT WOS:000333972700027 ER PT J AU Melo, DR Lipsztein, JL Leggett, R Bertelli, L Guilmette, R AF Melo, D. R. Lipsztein, J. L. Leggett, R. Bertelli, L. Guilmette, R. TI Efficacy of Prussian Blue on Cs-137 Decorporation Therapy SO HEALTH PHYSICS LA English DT Review DE decontamination; intake, radionuclide; accidents, handling; 137Cs ID RATS; RADIOCESIUM; RETENTION; ACCIDENT; BINDING; CYANIDE; HUMANS; CESIUM; BODY; IRON AB Prussian blue (PB) is an efficient drug for enhancing cesium elimination from the body. Literature data on the efficacy of PB treatment in dosages that vary from 1-10 g d(-1) was reviewed. Cesium biokinetics was simulated using a detailed systemic biokinetic model. The same model was used to simulate the maximum action of PB by interrupting the enterohepatic circulation. Model results reproduced reasonably well the literature data on the efficacy of PB administered to humans after incidental cesium intakes, as well as results from animal experiments. Maximum efficiency of the reduction of the long-term half-time is obtained with the administration of 3 g d(-1) PB to the adult. Maximum efficiency of reducing the Cs body burdens is obtained when PB is administered on the first day after the intake, due to the increase of the short-term elimination of cesium. The model predicts that reduction of the long-term half-life is not affected by the time after intake that PB is administered, as long as it is given within the interval from 1 h to 1 y after the intake. C1 [Melo, D. R.; Guilmette, R.] Lovelace Resp Res Inst, Albuquerque, NM 87108 USA. [Lipsztein, J. L.] Univ Estado Rio De Janeiro, Rio De Janeiro, Brazil. [Leggett, R.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Bertelli, L.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Melo, DR (reprint author), Lovelace Resp Res Inst, Albuquerque, NM 87108 USA. EM dmelo@lrri.org NR 20 TC 7 Z9 7 U1 7 U2 22 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD MAY PY 2014 VL 106 IS 5 BP 592 EP 597 DI 10.1097/HP.0000000000000035 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 AE4QZ UT WOS:000333969200008 PM 24670908 ER PT J AU Stone, DK Higley, KA Jannik, GT AF Stone, Daniel K. Higley, Kathryn A. Jannik, G. Timothy TI Site-Specific Reference Person Parameters and Derived Concentration Standards for the Savannah River Site SO HEALTH PHYSICS LA English DT Article DE monitoring, environmental; dose, population; Reference Man; operational topics AB The U.S. Department of Energy Order 458.1 states that the compliance with the 1 mSv annual dose constraint to a member of the public may be demonstrated by calculating dose to the maximally exposed individual (MEI) or to a representative person. Historically, the MEI concept was used for dose compliance at the Savannah River Site (SRS) using adult dose coefficients and adult male usage parameters. For future compliance, SRS plans to use the representative person concept for dose estimates to members of the public. The representative person dose will be based on the reference person dose coefficients from the U.S. DOE Derived Concentration Technical Standard and on usage parameters specific to SRS for the reference and typical person. Usage parameters and dose coefficients were determined for inhalation, ingestion and external exposure pathways. The reference intake for air, water, meat, dairy, freshwater fish, saltwater invertebrates, produce (fruits and vegetables), and grains for the 95th percentile are 17.4 m(3) d(-1), 2.19 L d(-1), 220.6 g d(-1), 674 cm(3) d(-1), 66.4 g d(-1), 23.0 g d(-1), 633.4 g d(-1) (448.5 g d(-1)and 631.7 g d(-1)) and 251.3 g d(-1), respectively. For the 50th percentile: 13.4 m(3) d(-1), 0.809 L d(-1), 86.4 g d(-1), 187 cm(3) d(-1), 8.97 g d(-1), 3.04 g d(-1), 169.5 g d(-1) (45.9 g d(-1) and 145.6 g d(-1)), 101.3 g d(-1), respectively. These parameters for the representative person were used to calculate and tabulate SRS-specific derived concentration standards (DCSs) for the pathways not included in DOE-STD-1196-2011. C1 [Stone, Daniel K.; Higley, Kathryn A.] Oregon State Univ, Dept Nucl Engn & Hlth Phys, Corvallis, OR 97331 USA. [Stone, Daniel K.; Jannik, G. Timothy] Savannah River Nucl Solut, Savannah River Natl Lab, Aiken, SC USA. RP Stone, DK (reprint author), Oregon State Univ, Dept Nucl Engn & Hlth Phys, 3451 SW Jefferson Way, Corvallis, OR 97331 USA. EM dkstone89@gmail.com NR 15 TC 1 Z9 1 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD MAY PY 2014 VL 106 IS 5 SU 2 BP S59 EP S64 DI 10.1097/HP.0000000000000073 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 AE4PS UT WOS:000333965600003 PM 24667386 ER PT J AU Sugarman, SL Livingston, GK Stricklin, DL Abbott, MG Wilkins, RC Romm, H Oestreicher, U Yoshida, MA Miura, T Moquet, JE Di Giorgio, M Ferrarotto, C Gross, GA Christiansen, ME Hart, CL Christensen, DM AF Sugarman, S. L. Livingston, G. K. Stricklin, D. L. Abbott, M. G. Wilkins, R. C. Romm, H. Oestreicher, U. Yoshida, M. A. Miura, T. Moquet, J. E. Di Giorgio, M. Ferrarotto, C. Gross, G. A. Christiansen, M. E. Hart, C. L. Christensen, D. M. TI The Internet's Role in a Biodosimetric Response to a Radiation Mass Casualty Event SO HEALTH PHYSICS LA English DT Article DE dose assessment; cytogenetics; biological indicators; operational topics ID DICENTRIC CHROMOSOME ASSAY; BIOLOGICAL DOSIMETRY; ABERRATIONS; ACCIDENT; TRIAGE AB Response to a large-scale radiological incident could require timely medical interventions to minimize radiation casualties. Proper medical care requires knowing the victim's radiation dose. When physical dosimetry is absent, radiation-specific chromosome aberration analysis can serve to estimate the absorbed dose in order to assist physicians in the medical management of radiation injuries. A mock exercise scenario was presented to six participating biodosimetry laboratories as one individual acutely exposed to Co-60 under conditions suggesting whole-body exposure. The individual was not wearing a dosimeter and within 2-3 h of the incident began vomiting. The individual also had other medical symptoms indicating likelihood of a significant dose. Physicians managing the patient requested a dose estimate in order to develop a treatment plan. Participating laboratories in North and South America, Europe, and Asia were asked to evaluate more than 800 electronic images of metaphase cells from the patient to determine the dicentric yield and calculate a dose estimate with 95% confidence limits. All participants were blind to the physical dose until after submitting their estimates based on the dicentric chromosome assay (DCA). The exercise was successful since the mean biological dose estimate was 1.89 Gy whereas the actual physical dose was 2 Gy. This is well within the requirements for guidance of medical management. The exercise demonstrated that the most labor-intensive step in the entire process (visual evaluation of images) can be accelerated by taking advantage of world-wide expertise available on the Internet. C1 [Sugarman, S. L.; Livingston, G. K.; Abbott, M. G.; Gross, G. A.; Christiansen, M. E.; Hart, C. L.; Christensen, D. M.] Oak Ridge Associated Univ, REAC TS, Oak Ridge, TN 37831 USA. [Stricklin, D. L.] Appl Res Associates, Arlington, VA 22203 USA. [Wilkins, R. C.] Hlth Canada, Consumer & Clin Radiat Protect Bur, Ottawa, ON K1A 1C1, Canada. [Romm, H.; Oestreicher, U.] Bundesamt Strahlenschutz, D-85764 Neuherberg, Germany. [Yoshida, M. A.; Miura, T.] Hirosaki Univ, Inst Radiat Emergency Med, Hirosaki, Aomori 0368564, Japan. [Moquet, J. E.; Ferrarotto, C.] Publ Hlth England, Ctr Radiat Chem & Environm Hazards, Didcot OX11 0RQ, Oxon, England. [Di Giorgio, M.] ARN, Buenos Aires, DF, Argentina. RP Sugarman, SL (reprint author), Oak Ridge Associated Univ, REAC TS, POB 117, Oak Ridge, TN 37831 USA. EM steve.sugarman@orau.org OI Romm, Horst/0000-0003-4921-685X FU Oak Ridge Associated Universities (ORAU) [DE-AC05-06OR23100]; U.S. Department of Energy (U.S. DOE) [DE-AC05-06OR2310]; 7th European Union Framework Program under Theme 10-Security FX Portions of this work were performed under Contract # DE-AC05-06OR23100 between Oak Ridge Associated Universities (ORAU) and the U.S. Department of Energy (U.S. DOE). REAC/TS is a program of the Oak Ridge Institute for Science & Education (ORISE), which is operated for the U.S. DOE by ORAU. The opinions expressed herein are those of the authors and are not necessarily those of the U.S. Government (USG), the U.S. DOE, ORAU or sponsoring institutions of ORAU. Neither the USG nor the U.S. DOE, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of the information contained herein or represents that its use would not infringe on privately owned rights.; The MULTIBIODOSE EU FP7 project is funded by the 7th European Union Framework Program under Theme 10-Security. NR 16 TC 3 Z9 3 U1 0 U2 5 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 MAY PY 2014 VL 106 IS 5 SU 2 BP S65 EP S70 DI 10.1097/HP.0000000000000080 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 AE4PS UT WOS:000333965600004 PM 24667387 ER PT J AU Sen, S AF Sen, Satyabrata TI Characterizations of PAPR-Constrained Radar Waveforms for Optimal Target Detection SO IEEE SENSORS JOURNAL LA English DT Article DE Waveform design; Pareto optimization; optimal target detection; cross-correlation function; peak-to-average power ratio ID SIGNAL-DEPENDENT INTERFERENCE; ENHANCED DETECTION; EXTENDED TARGET; DESIGN; OFDM; OPTIMIZATION; CLUTTER AB We propose to design a peak-to-average power ratio (PAPR) constrained transmit waveform that achieves the optimal performance (following the Neyman-Pearson lemma) in detecting a target in the presence of signal-dependent interference. The direct time-domain approach allows straightforward characterizations of the correlation and PAPR properties of the designed signals, which are critically important to analyze the system performance in the presence of multiple targets and to assess the transmitter power-utilization, respectively. Therefore, instead of designing a transmit signal only for the optimal detection performance, we solve a biobjective Pareto-optimization problem, subjecting to the PAPR and total energy constraints, in order to simultaneously optimize the detection and cross-correlation performances. With extensive numerical examples, we demonstrate that PAPR-constrained signals produce nearly optimum detection performance even with a strict PAPR requirement, and also highlight the conflicting behavior of the detection and correlation performances. C1 Oak Ridge Natl Lab, Ctr Engn Syst Adv Res, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Sen, S (reprint author), Oak Ridge Natl Lab, Ctr Engn Syst Adv Res, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM sens@ornl.gov OI Sen, Satyabrata/0000-0001-9918-4409 FU Eugene P. Wigner Fellowship Fund at the Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported in part by the Eugene P. Wigner Fellowship Fund at the Oak Ridge National Laboratory managed by UT-Battelle, LLC, for the U.S. Department of Energy, under Contract DE-AC05-00OR22725. The associate editor coordinating the review of this paper and approving it for publication was Dr. Francis P. Hindle. NR 38 TC 4 Z9 5 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-437X EI 1558-1748 J9 IEEE SENS J JI IEEE Sens. J. PD MAY PY 2014 VL 14 IS 5 BP 1647 EP 1654 DI 10.1109/JSEN.2014.2299283 PG 8 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA AE6RM UT WOS:000334121700009 ER PT J AU Li, D Seaman, JC Chang, HS Jaffe, PR van Groos, PK Jiang, DT Chen, N Lin, JR Arthur, Z Pan, YM Scheckel, KG Newville, M Lanzirotti, A Kaplan, DI AF Li, Dien Seaman, John C. Chang, Hyun-Shik Jaffe, Peter R. van Groos, Paul Koster Jiang, De-Tong Chen, Ning Lin, Jinru Arthur, Zachary Pan, Yuanming Scheckel, Kirk G. Newville, Matthew Lanzirotti, Antonio Kaplan, Daniel I. TI Retention and chemical speciation of uranium in an oxidized wetland sediment from the Savannah River Site SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Wetland sediments; Uranium; Chemical speciation; Retention; Spectroscopy ID RAY-ABSORPTION-SPECTROSCOPY; ENVIRONMENTAL-IMPACT ASSESSMENT; CONTAMINATED SEDIMENTS; WASTE-WATER; ADSORPTION; REDUCTION; SOILS; IMMOBILIZATION; RADIONUCLIDES; OXYHYDROXIDES AB Uranium speciation and retention mechanisms onto Savannah River Site (SRS) wetland sediments was studied using batch (ad)sorption experiments, sequential extraction, U La-edge X-ray absorption near-edge structure (XANES) spectroscopy, fluorescence mapping and mu-XANES. Under oxidized conditions, U was highly retained by the SRS wetland sediments. In contrast to other similar but much lower natural organic matter (NOM) sediments, significant sorption of U onto the SRS sediments was observed at pH < 4 and pH > 8. Sequential extraction indicated that the U species were primarily associated with the acid soluble fraction (weak acetic acid extractable) and organic fraction (Na-pyrophosphate extractable). Uranium L-3-edge XANES spectra of the U-bound sediments were nearly identical to that of uranyl acetate. Based on fluorescence mapping, U and Fe distributions in the sediment were poorly correlated, U was distributed throughout the sample and did not appear as isolated U mineral phases. The primary oxidation state of U in these oxidized sediments was U(VI), and there was little evidence that the high sorptive capacity of the sediments could be ascribed to abiotic or biotic reduction to the less soluble U(IV) species or to secondary mineral formation. Collectively, this study suggests that U may be strongly bound to wetland sediments, not only under reducing conditions by reductive precipitation, but also under oxidizing conditions through NOM-uranium bonding. Published by Elsevier Ltd. C1 [Li, Dien; Kaplan, Daniel I.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Seaman, John C.; Chang, Hyun-Shik] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Jaffe, Peter R.; van Groos, Paul Koster] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Jiang, De-Tong; Arthur, Zachary] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Chen, Ning] Canadian Light Source Inc, Saskatoon, SK S7N 2V3, Canada. [Lin, Jinru; Pan, Yuanming] Univ Saskatchewan, Saskatoon, SK S7N 5E2, Canada. [Scheckel, Kirk G.] US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45224 USA. [Newville, Matthew; Lanzirotti, Antonio] Univ Chicago, Chicago, IL 60637 USA. RP Li, D (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM Dien.Li@srs.gov RI Li, Dien/N-6370-2014; OI Scheckel, Kirk/0000-0001-9326-9241; Pan, Yuanming/0000-0002-9195-3776 FU Department of Energy, Environmental Management and Office of Sciences; U.S. Department of Energy [DE-AC09-96SR18500, DE-SC0006847]; Savannah River Ecology Laboratory through a Financial Assistance Award from DOE [DE-FC09-07SR22506]; EPA; National Science Foundation's Earth Sciences [EAR-0217473]; Department of Energy's Geosciences [DE-FG02-94ER14466]; State of Illinois; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-ENG-38] FX This work was supported by Department of Energy, Environmental Management and Office of Sciences. Work was conducted at the Savannah River National Laboratory under the U.S. Department of Energy Contract DE-AC09-96SR18500. Participation of Drs. J.C. Seaman and H.S. Chang in the current study was supported by the Savannah River Ecology Laboratory through a Financial Assistance Award DE-FC09-07SR22506 from DOE to the University of Georgia Research Foundation. Work was conducted at Princeton University under the U.S. Department of Energy Contract DE-SC0006847. Although EPA contributed to this article, the research presented was not directly performed by or funded by EPA and was not subject to EPA's quality system requirements. Consequently, the views, interpretations, and conclusions expressed in this article are solely those of the authors and do not necessarily reflect or represent EPA's views or policies. U L3-edge XANES spectral measurements were performed at the Canadian Light Source, which is supported by the Natural Sciences and Engineering Research Council of Canada, the National Research Council Canada, the Canadian Institutes of Health Research, the Province of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. GeoSoilEnviroCARS is supported by the National Science Foundation's Earth Sciences (EAR-0217473), Department of Energy's Geosciences (DE-FG02-94ER14466), and the State of Illinois. Use of the APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. W-31-109-ENG-38. The authors appreciate Savannah Harris and Diana Soteropoulos, University of Georgia, for their assistance with ICP-MS analysis. NR 41 TC 12 Z9 12 U1 8 U2 70 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD MAY PY 2014 VL 131 SI SI BP 40 EP 46 DI 10.1016/j.jenvrad.2013.10.017 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CK UT WOS:000334005200005 PM 24238918 ER PT J AU Powell, BA Kaplan, DI Serkiz, SM Coates, JT Fjeld, RA AF Powell, Brian A. Kaplan, Daniel I. Serkiz, Steven M. Coates, John T. Fjeld, Robert A. TI Pu(V) transport through Savannah River Site soils - an evaluation of a conceptual model of surface- mediated reduction to Pu (IV) SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Plutonium; Sediment; Reduction; Transport; SRS ID OXIDATION-STATES; PLUTONIUM OXIDATION; GROUND-WATER; VADOSE ZONE; ADSORPTION; GOETHITE; SEDIMENTS; SORPTION; PU(IV); TRANSFORMATIONS AB Over the last fifteen years the Savannah River Site (SRS) in South Carolina, USA, was selected as the site of three new plutonium facilities: the Mixed Oxide Fuel Fabrication Facility, Pit Disassembly and Conversion Facility, and the Pu Immobilization Plant. In order to assess the potential human and environmental risk associated with these recent initiatives, improved understanding of the fate and transport of Pu in the SRS subsurface environment is necessary. The hypothesis of this study was that the more mobile forms of Pu, Pu(V) and Pu(VI), would be reduced to the less mobile Pu(III/IV) oxidation states under ambient SRS subsurface conditions. Laboratory-scale dynamic flow experiments (i.e., column studies) indicated that Pu(V) was very mobile in SRS sediments. At higher pH values the mobility of Pu decreased and the fraction of Pu that became irreversibly sorbed to the sediment increased, albeit, only slightly. Conversely, these column experiments showed that Pu(IV) was essentially immobile and was largely irreversibly sorbed to the sediment. More than 100 batch sorption experiments were also conducted with four end-member sediments, i.e., sediments that include the chemical, textural, and mineralogical properties likely to exist in the SRS. These tests were conducted as a function of initial Pu oxidation state, pH, and contact time and consistently demonstrated that although Pu(V) sorbed initially quite weakly to sediments, it slowly, over the course of <33 days, sorbed very strongly to sediments, to approximately the same degree as Pu(IV). This is consistent with our hypothesis that Pu(V) is reduced to the more strongly sorbing form of Pu, Pu(IV). These studies provide important experimental support for a conceptual geochemical model for dissolved Pu in a highly weathered subsurface environment. That is that, irrespective of the initial oxidation state of the dissolved Pu introduced into a SRS sediment system, Pu(IV) controls the environmental transport within a couple weeks and Pu strongly binds to the sediment, limiting its mobility. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Powell, Brian A.; Coates, John T.; Fjeld, Robert A.] Clemson Univ, Anderson, SC 29625 USA. [Kaplan, Daniel I.; Serkiz, Steven M.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Serkiz, Steven M.] Clemson Univ, Dept Phys & Astron, Clemson, SC 29631 USA. RP Powell, BA (reprint author), Clemson Univ, Anderson, SC 29625 USA. EM bpowell@clemson.edu; fjeld@clemson.edu RI Powell, Brian /C-7640-2011 OI Powell, Brian /0000-0003-0423-0180 FU Subsurface Biogeochemical Research Program of the U.S. Department of Energy's Office of Biological and Environmental Research FX This research was supported by the Subsurface Biogeochemical Research Program of the U.S. Department of Energy's Office of Biological and Environmental Research. NR 37 TC 11 Z9 11 U1 5 U2 46 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD MAY PY 2014 VL 131 SI SI BP 47 EP 56 DI 10.1016/j.jenvrad.2013.10.009 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CK UT WOS:000334005200006 PM 24238838 ER PT J AU Kaplan, DI Zhang, SJ Roberts, KA Schwehr, K Xu, C Creeley, D Ho, YF Li, HP Yeager, CM Santschi, PH AF Kaplan, Daniel I. Zhang, Saijin Roberts, Kimberly A. Schwehr, Kathy Xu, Chen Creeley, Danielle Ho, Yi-Fang Li, Hsiu-Ping Yeager, Chris M. Santschi, Peter H. TI Radioiodine concentrated in a wetland SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Radioiodine; Wetlands; Speciation; Iodide; Iodate; Natural organic matter ID SAVANNA RIVER SITE; NATURAL ORGANIC-MATTER; FRESH-WATER WETLANDS; SOIL; IODIDE; I-129; SORPTION; MOBILITY; IODATE; GROUNDWATER AB Most subsurface environmental radioactivity contamination is expected to eventually resurface in riparian zones, or wetlands. There are a number of extremely sharp biogeochemical interfaces in wetlands that could alter radionuclide speciation and promote accumulation. The objective of this study was to determine if a wetland concentrated I-129 emanating from a former waste disposal basin located on the Savannah River Site (SRS) in South Carolina, USA. Additionally, studies were conducted to evaluate the role of sediment organic matter in immobilizing the radioiodine. Groundwater samples were collected along a 0.7-km transect away from the seepage basin and in the downstream wetlands. The samples were analyzed for I-129 speciation (iodide (I-), iodate (IO3-), and organo-I). Groundwater I-129 concentrations in many locations in the wetlands (as high as 59.9 Bq L-1 I-129) were greatly elevated with respect to the source term (5.9 Bq L-1 I-129) I-129 concentration profiles in sediment cores were closely correlated to organic matter concentrations (r(2) = 0.992; n = 5). While the sediment organic matter promoted the uptake of I-129 to the wetland sediment, it also promoted the formation of a soluble organic fraction: 74% of the wetland groundwater I-129 could pass through a 1 kDa (<1 nm) membrane and only 26% of the I-129 was colloidal. Of that fraction that could pass through a 1 kDa membrane, 39% of the I-129 was organo-I. Therefore, while wetlands may be highly effective at immobilizing aqueous I-129, they may also promote the formation of a low-molecular-weight organic species that does not partition to sediments. This study provides a rare example of radioactivity concentrations increasing rather than decreasing as it migrates from a point source and brings into question assumptions in risk models regarding continuous dilution of released contaminants. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kaplan, Daniel I.; Roberts, Kimberly A.] SRNL, Aiken, SC 29808 USA. [Zhang, Saijin; Schwehr, Kathy; Xu, Chen; Creeley, Danielle; Ho, Yi-Fang; Li, Hsiu-Ping; Santschi, Peter H.] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77554 USA. [Yeager, Chris M.] LANL, Los Alamos, NM USA. RP Kaplan, DI (reprint author), SRNL, Aiken, SC 29808 USA. EM daniel.kaplan@srnl.doe.gov RI Creeley, Danielle/L-2721-2015 OI Creeley, Danielle/0000-0003-0720-6223 FU Department of Energy's Office of Sciences, Subsurface Biogeochemistry Research program; U.S. Department of Energy [DE-AC09-96SR 18500] FX This work was supported by Department of Energy's Office of Sciences, Subsurface Biogeochemistry Research program. Work was conducted at the Savannah River National Laboratory under the U.S. Department of Energy Contract DE-AC09-96SR 18500. NR 37 TC 9 Z9 9 U1 2 U2 24 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD MAY PY 2014 VL 131 SI SI BP 57 EP 61 DI 10.1016/j.jenvrad.2013.09.001 PG 5 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CK UT WOS:000334005200007 PM 24075117 ER PT J AU Paller, MH Jannik, GT Baker, RA AF Paller, M. H. Jannik, G. T. Baker, R. A. TI Effective Half-Life of Caesium-137 in Various Environmental Media at the Savannah River Site SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Cesium; Effective half-life; Ecological half-life; Savannah River Site; Long-term change ID REACTOR COOLING RESERVOIR; TROUT SALMO-TRUTTA; CS-137; RADIOCESIUM; (CS)-C-137; FLOODPLAIN; CHERNOBYL; LIVES; LAKE; RADIONUCLIDES AB During the operational history of the Savannah River Site (SRS), many different radionuclides have been released from site facilities into the SRS environment. However, only a relatively small number of pathways, most importantly Cs-137 in fish and deer, have contributed significantly to doses and risks to the public. The "effective" half-lives (T-e) of Cs-137 (which include both physical decay and environmental dispersion) in Savannah River floodplain soil and vegetation and in fish and white-tailed deer from the SRS were estimated using long-term monitoring data. For 1974-2011, the T(e)s of Cs-137 in Savannah River floodplain soil and vegetation were 17.0 years (95% Cl = 14.2-19.9) and 13.4 years (95% Cl = 10.8-16.0), respectively. These T(e)s were greater than in a previous study that used data collected only through 2005 as a likely result of changes in the flood regime of the Savannah River. Field analyses of Cs-137 concentrations in deer collected during yearly controlled hunts at the SRS indicated an overall T-e of 15.9 years (95% Cl = 12.3-19.6) for 1965-2011; however, the T-e for 1990-2011 was significantly shorter (11.8 years, 95% Cl = 4.8-18.8) due to an increase in the rate of Cs-137 removal. The shortest Tes were for fish in SRS streams and the Savannah River (3.5-9.0 years), where dilution and dispersal resulted in rapid Cs-137 removal. Long-term data show that Tes are significantly shorter than the physical half-life of Cs-137 in the SRS environment but that they can change over time. Therefore, it is desirable have a long period of record for calculating Tes and risky to extrapolate Tes beyond this period unless the processes governing Cs-137 removal are clearly understood. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Paller, M. H.; Jannik, G. T.; Baker, R. A.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Jannik, GT (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM tim.jannik@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470] FX This manuscript has been co-authored by Savannah River Nuclear Solutions, LLC under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this 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 work, or allow others to do so, for United States Government purposes. NR 28 TC 2 Z9 2 U1 3 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD MAY PY 2014 VL 131 SI SI BP 81 EP 88 DI 10.1016/j.jenvrad.2013.10.024 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CK UT WOS:000334005200010 PM 24268817 ER PT J AU Neeway, JJ Qafoku, NP Williams, BD Rod, K Bowden, ME Brown, CF Pierce, EM AF Neeway, James J. Qafoku, Nikolla P. Williams, Benjamin D. Rod, Kenton Bowden, Mark E. Brown, Christopher F. Pierce, Eric M. TI Performance of the Fluidized Bed Steam Reforming product under. hydraulically unsaturated conditions SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Hanford LAW; Waste form durability; Fluidized Bed Steam Reforming ID WASTE GLASS; SODALITE; TESTS AB Several candidates for supplemental low-activity waste (LAW) immobilization at the Hanford site in Washington State, USA are being considered. One waste sequestering technology considered is Fluidized Bed Steam Reforming (FBSR). The granular product resulting from the FBSR process is composed primarily of an insoluble sodium aluminosilicate matrix with the dominant phases being feldspathoid minerals with a 1:1:1 molar ratio of Na, Al and Si. To demonstrate the durability of the product, which can be disposed of at the unsaturated Integrated Disposal Facility (IDF) at Hanford, a series of tests has been performed using the Pressurized Unsaturated Flow (PUF) system, which allows for the accelerated weathering of the solid materials. The system maintains hydraulically unsaturated conditions, thus mimicking the open-flow and transport properties that will be present at the IDF. Two materials were tested using the system: 1) the FBSR granular product and 2) the FBSR granular product encapsulated in a geopolymer to form a monolith. Results of the experiments show a trend of relatively constant effluent concentration of Na, Si, Al, and Cs as a function of time from both materials. The elements land Re show a steady release throughout the yearlong test from the granular material but their concentrations seem to be increasing at one year from the monolith material. This result suggests that these two elements may be present in the sodalite cage structure rather than in the predominant nepheline phase because their release occurs at a different rate compared to nepheline phase. Also, these elements to not seem to reprecipitate when released from the starting material. Calculated one-year release rates for Si are on the order of 10(-6) g/(m(2) d) for the granular material and 10(-5) g/(m(2) d) for the monolith material while Re release is seen to be two orders of magnitude higher than Si release rates. SEM imaging and XRD analysis show how the alteration of the two materials is dependent on their depth in the column. This phenomenom is a result of depth-dependent solution concentrations giving rise chemical environments that may be supersaturated with respect to a number of mineral phases. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Neeway, James J.; Qafoku, Nikolla P.; Williams, Benjamin D.; Rod, Kenton; Bowden, Mark E.; Brown, Christopher F.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Pierce, Eric M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Neeway, JJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM James.Neeway@pnnl.gov RI Pierce, Eric/G-1615-2011; OI Pierce, Eric/0000-0002-4951-1931; Neeway, Jim/0000-0001-7046-8408; Qafoku, Nikolla P./0000-0002-3258-5379 FU U.S. Department of Energy (DOE) through the Office of Environmental Management; DOE [DE-AC06-76RLO 1830]; U.S. Department of Energy's Office of Biological and Environmental Research FX These studies were supported by the U.S. Department of Energy (DOE) through the Office of Environmental Management. Pacific Northwest National Laboratory is operated for the DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. We would like to thank Isaac Carroll for help with the SEM/EDS used in this manuscript. We would also like to thank Jonathan Icenhower at LBNL and one anonymous reviewer for their help in greatly improving the quality of the manuscript. A final thanks to Tom Hinton for organizing this fruitful session on Environmental Radioactivity as part of the 2013 International Conference on the Beiogeochemistry of Trace Elements. Part of the research described in this paper was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory in Richland, WA. NR 27 TC 0 Z9 0 U1 1 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD MAY PY 2014 VL 131 SI SI BP 119 EP 128 DI 10.1016/j.jenvrad.2013.10.008 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE5CK UT WOS:000334005200013 PM 24183758 ER PT J AU Gundiah, G Brennan, K Yan, Z Samulon, EC Wu, G Bizarri, GA Derenzo, SE Bourret-Courchesne, ED AF Gundiah, G. Brennan, K. Yan, Z. Samulon, E. C. Wu, G. Bizarri, G. A. Derenzo, S. E. Bourret-Courchesne, E. D. TI Structure and scintillation properties of Ce3+ -activated Cs2NaLaCl6, Cs3LaCl6, Cs2NaLaBr6, Cs3LaBr6, Cs2NaLaI6 and Cs3LaI6 SO JOURNAL OF LUMINESCENCE LA English DT Article DE Scintillator; Gamma-ray detector; Elpasolite ID LUMINESCENCE PROPERTIES; ELPASOLITES; CRYSTALLINE; ENERGIES; CHLORIDE; LA AB A systematic study of the structure and scintillation properties of La elpasolites and related compositions with the formula Cs(2)ALa(1-y)Ce(y)X(6) (where A=Cs, Na; X=Cl, Br, I) is reported. The compounds were determined to crystallize in a variety of crystal structures. Two of the compounds studied are cubic and their structures match a prediction derived from a composition-related tolerance factor. The cubic structure was not obtained with the iodides. Upon optical and X-ray excitation, the samples show the characteristic Ce3+ emission. Depending on the host, the optimal Ce concentration varied between 0.1 and 15%. The luminosity and energy resolution were measured on 4 single crystals with the following results: Cs2NaLaCl6:4% Ce luminosity of 26,400 ph/MeV, energy resolution 4.4%; Cs3LaCl6:8% Ce luminosity of 16,000 ph/MeV, energy resolution 8.6%; Cs2NaLaBr6:4% Ce luminosity of 46,000 ph/MeV, energy resolution 3.9%; Cs3LaBr6:15% Ce luminosity of 32,500 ph/MeV, energy resolution 4.9%. Single crystals of the iodide analogs could not be obtained by the Bridgman technique due to phase separation. Polycrystalline forms of these compounds, obtained by quenching from the melt, are scintillators. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gundiah, G.; Brennan, K.; Yan, Z.; Samulon, E. C.; Bizarri, G. A.; Derenzo, S. E.; Bourret-Courchesne, E. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wu, G.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. RP Gundiah, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM GGundiah@lbl.gov FU US Department of Homeland Security, Domestic Nuclear Detection Office [HSHQDC-09-X-00075]; U.S. Department of Energy/NNSA/NA22 [AC02-05CH11231] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded contract/IAA HSHQDC-09-X-00075 and by the U.S. Department of Energy/NNSA/NA22 and carried out at Lawrence Berkeley National Laboratory under Contract No. AC02-05CH11231. This support does not constitute an express or implied endorsement on the part of the Government. The authors thank Drs. M. J. Weber and M. Gascon for useful discussions and Mr. S. M. Hanrahan for measurements. NR 21 TC 7 Z9 9 U1 6 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD MAY PY 2014 VL 149 BP 374 EP 384 DI 10.1016/j.jlumin.2013.09.057 PG 11 WC Optics SC Optics GA AE2FO UT WOS:000333788900059 ER PT J AU Peng, JC Qiu, JW AF Peng, Jen-Chieh Qiu, Jian-Wei TI Novel phenomenology of parton distributions from the Drell-Yan process SO PROGRESS IN PARTICLE AND NUCLEAR PHYSICS LA English DT Review DE Drell-Yan process; QCD factorization; Parton distributions; Nucleon flavor structure ID DEEP-INELASTIC SCATTERING; LEPTON-PAIR PRODUCTION; LIGHT-QUARK SEA; TRANSVERSE-MOMENTUM DISTRIBUTIONS; ISOSPIN SYMMETRY-BREAKING; NEUTRON STRUCTURE FUNCTIONS; NUCLEON STRUCTURE FUNCTIONS; HADRON-HADRON COLLISIONS; FINAL-STATE INTERACTIONS; SINGLE-SPIN ASYMMETRIES AB The Drell-Yan massive lepton-pair production in hadronic collisions provides a unique tool complementary to the Deep-Inelastic Scattering for probing the partonic substructures in hadrons. We review key concepts, approximations, and progress for QCD factorization of the Drell-Yan process in terms of collinear or transverse momentum dependent (TMD) parton distribution functions. We present experimental results from recent fixed-target Drell-Yan as well as W and Z boson production at colliders, focusing on the topics of flavor structure of the nucleon sea as well as the extraction of novel Sivers and Boer-Mulders functions via single transverse spin asymmetries and azimuthal lepton angular distribution of the Drell-Yan process. Prospects for future Drell-Yan experiments are also presented. (c) 2014 Elsevier B.V. All rights reserved. C1 [Peng, Jen-Chieh] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Qiu, Jian-Wei] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Qiu, Jian-Wei] SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. [Qiu, Jian-Wei] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Peng, JC (reprint author), Univ Illinois, Dept Phys, Urbana, IL 61801 USA. EM jcpeng@illinois.edu FU US Department of Energy [DE-AC02-98CH10886]; US National Science Foundation [NSF-PHY-12-05671] FX This work was supported in part by the US Department of Energy under the contract no. DE-AC02-98CH10886 and the US National Science Foundation under the contract NSF-PHY-12-05671. NR 269 TC 35 Z9 35 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0146-6410 EI 1873-2224 J9 PROG PART NUCL PHYS JI Prog. Part. Nucl. Phys. PD MAY PY 2014 VL 76 BP 43 EP 75 DI 10.1016/j.ppnp.2014.01.005 PG 33 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AE4II UT WOS:000333945700002 ER PT J AU Hovden, R Ercius, P Jiang, Y Wang, DL Yu, YC Abruna, HD Elser, V Muller, DA AF Hovden, Robert Ercius, Peter Jiang, Yi Wang, Deli Yu, Yingchao Abruna, Hector D. Elser, Veit Muller, David A. TI Breaking the Crowther limit: Combining depth-sectioning and tilt tomography for high-resolution, wide-field 3D reconstructions SO ULTRAMICROSCOPY LA English DT Article DE Tomography; Scanning transmission electron microscopy; STEM; TEM; Aberration correction; Depth sectioning; Nanopartides; Catalysts; Through focal imaging; Electron microscopy; Crowther criterion; 3D imaging; Depth of field ID TRANSMISSION ELECTRON-MICROSCOPE; OXYGEN REDUCTION; Z-CONTRAST; ELECTROCATALYSIS; NANOPARTICLES; ANKYLOGRAPHY C1 [Hovden, Robert; Muller, David A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Hovden, Robert; Muller, David A.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. [Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Jiang, Yi; Elser, Veit] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Wang, Deli; Yu, Yingchao; Abruna, Hector D.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. RP Hovden, R (reprint author), Cornell Univ, 271 Clark Hall, Ithaca, NY 14853 USA. EM rmh244@cornell.edu RI Wang, Deli/K-5029-2012; Foundry, Molecular/G-9968-2014; Muller, David/A-7745-2010 OI Muller, David/0000-0003-4129-0473 FU Semiconductor Research Corporation; Center for Nanoscale Systems at Cornell, NSF NSEC [EEC0117770, 0646547]; Cornell Center for Materials Research, NSF MRSEC [NSF DMR-1120296]; DOE Grant [DE-FG02-11ER16210]; U.S. Department of Energy [DE-ACO205CH 11231] FX We acknowledge helpful discussions with Huolin Xin, Lena Fitting-Kourkoutis, Julia Mundy, and John GrazuL This work was supported by the Semiconductor Research Corporation, the Center for Nanoscale Systems at Cornell, an NSF NSEC (NSF #EEC0117770, 0646547) and the Cornell Center for Materials Research, an NSF MRSEC (NSF DMR-1120296), Y. Jiang and V. Elser were supported by DOE Grant DE-FG02-11ER16210. The experiments were performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the U.S. Department of Energy under Contract no.DE-ACO205CH 11231. NR 32 TC 8 Z9 8 U1 4 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD MAY PY 2014 VL 140 BP 26 EP 31 DI 10.1016/j.ultramic.2014.01.013 PG 6 WC Microscopy SC Microscopy GA AE2KZ UT WOS:000333803100004 PM 24636875 ER PT J AU Liang, B Cheng, HY Van Nostrand, JD Ma, JC Yu, H Kong, DY Liu, WZ Ren, NQ Wu, LY Wang, AJ Lee, DJ Zhou, JZ AF Liang, Bin Cheng, Haoyi Van Nostrand, Joy D. Ma, Jincai Yu, Hao Kong, Deyong Liu, Wenzong Ren, Nanqi Wu, Liyou Wang, Aijie Lee, Duu-Jong Zhou, Jizhong TI Microbial community structure and function of Nitrobenzene reduction biocathode in response to carbon source switchover SO WATER RESEARCH LA English DT Article DE Biocathode; Nitrobenzene reduction; Microbial community structure; Function; Carbon source switchover ID EXTRACELLULAR ELECTRON-TRANSFER; SHEWANELLA-ONEIDENSIS MR-1; NITROAROMATIC COMPOUNDS; PILIN PROTEINS; WASTE-WATER; FUEL-CELLS; BIODEGRADATION; ELECTRICITY; NITROREDUCTASES; MINERALIZATION AB The stress of poised cathode potential condition and carbon source switchover for functional biocathode microbial community influences is poorly understood. Using high-throughput functional gene array (GeoChip v4.2) and Illumina 16S rRNA gene MiSeq sequencing, we investigated the phylogenetic and functional microbial community of the initial inoculum and biocathode for bioelectrochemical reduction of nitrobenzene to less toxic aniline in response to carbon source switchover (from organic glucose to inorganic bicarbonate). Selective transformation of nitrobenzene to aniline maintained in the bicarbonate fed biocathode although nitrobenzene reduction rate and aniline formation rate were significantly decreased compared to those of the glucose-fed biocathode. When the electrical circuit of the glucose-fed biocathode was disconnected, both rates of nitrobenzene reduction and of aniline formation were markedly decreased, confirming the essential role of an applied electric field for the enhancement of nitrobenzene reduction. The stress of poised cathode potential condition led to clear succession of microbial communities from the initial inoculum to biocathode and the carbon source switchover obviously changed the microbial community structure of biocathode. Most of the dominant genera were capable of reducing nitroaromatics to the corresponding aromatic amines regardless of the performance mode. Heterotrophic Enterococcus was dominant in the glucose-fed biocathode while autotrophic Paracoccus and Variovorax were dominant in the bicarbonate-fed biocathode. Relatively higher intensity of diverse multi-heme cytochrome c (putatively involved in electrons transfer) and carbon fixation genes was observed in the biocarbonate-fed biocathode, likely met the requirement of the energy conservation and maintained the nitrobenzene selective reduction capability after carbon source switchover. Extracellular pilin, which are important for biofilm formation and potential conductivity, had a higher gene abundance in the glucose-fed biocathode might explain the enhancement of electro-catalysis activity for nitrobenzene reduction with glucose supply. Dominant nitroaromatics-reducing or electrochemically active bacteria and diverse functional genes related to electrons transfer and nitroaromatics reduction were associated with nitrobenzene reduction efficiency of biocathode communities in response to carbon source switchover. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Liang, Bin; Yu, Hao; Kong, Deyong; Ren, Nanqi; Wang, Aijie; Lee, Duu-Jong] Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China. [Cheng, Haoyi; Liu, Wenzong; Wang, Aijie] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Beijing 100085, Peoples R China. [Van Nostrand, Joy D.; Ma, Jincai; Wu, Liyou; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Van Nostrand, Joy D.; Ma, Jincai; Wu, Liyou; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Lee, Duu-Jong] Natl Taiwan Univ, Dept Chem Engn, Taipei 10617, Taiwan. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Wang, AJ (reprint author), Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China. EM waj0578@hit.edu.cn; djlee@ntu.edu.tw RI Ma, Jincai/D-1290-2013; Van Nostrand, Joy/F-1740-2016 OI Ma, Jincai/0000-0002-0792-0251; Van Nostrand, Joy/0000-0001-9548-6450 FU National Natural Science Foundation of China [51078100, 51176037]; National Science Foundation for Distinguished Young Scholars [51225802]; National Creative Research Groups Project [51121062]; Ph.D. Programs Foundation of Ministry of Education of China [20102302110055]; State Key Laboratory of Urban Water Resource and Environment of HIT [2013DX02]; China Scholarship Council FX This research was supported by the National Natural Science Foundation of China (51078100 and 51176037), National Science Foundation for Distinguished Young Scholars (51225802), National Creative Research Groups Project (51121062), the Ph.D. Programs Foundation of Ministry of Education of China (20102302110055), and the State Key Laboratory of Urban Water Resource and Environment of HIT (2013DX02). Bin Liang's collaborative research at the Institute for Environmental Genomics of University of Oklahoma, was supported by the China Scholarship Council. NR 57 TC 40 Z9 43 U1 22 U2 261 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0043-1354 J9 WATER RES JI Water Res. PD MAY 1 PY 2014 VL 54 BP 137 EP 148 DI 10.1016/j.watres.2014.01.052 PG 12 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA AE5BO UT WOS:000334003000014 PM 24565804 ER PT J AU Karali, N Xu, TF Sathaye, J AF Karali, Nihan Xu, Tengfang Sathaye, Jayant TI Reducing energy consumption and CO2 emissions by energy efficiency measures and international trading: A bottom-up modeling for the US iron and steel sector SO APPLIED ENERGY LA English DT Article DE Industry Sector Energy Efficiency Modeling (ISEEM); Energy consumption; CO2 emission; Trading; Bottom-up optimization modeling ID CEMENT INDUSTRY; CHINA; TECHNOLOGIES; IMPROVEMENT; DIFFUSION AB Using the ISEEM modeling framework, we analyzed the roles of energy efficiency measures, steel commodity and international carbon trading in achieving specific CO2 emission reduction targets in the U.S iron and steel sector from 2010 to 2050. We modeled how steel demand is balanced under three alternative emission reduction scenarios designed to include national energy efficiency measures, commodity trading, and international carbon trading as key instruments to meet a particular emission restriction target in the U.S. iron and steel sector; and how production, process structure, energy supply, and system costs change with those scenarios. The results advance our understanding of long-term impacts of different energy policy options designed to reduce energy consumption and CO2 emissions for U.S. iron and steel sector, and generate insight of policy implications for the sector's environmentally and economically sustainable development. The alternative scenarios associated with 20% emission-reduction target are projected to result in approximately 11-19% annual energy reduction in the medium term (i.e., 2030) and 9-20% annual energy reduction in the long term (i.e., 2050) compared to the Base scenario. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Karali, Nihan; Xu, Tengfang; Sathaye, Jayant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Karali, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, 1 Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA. EM NKarali@lbl.gov FU U.S. Environmental Protection Agency through the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Environmental Protection Agency through the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The model calibration benefited from the discussion with Ali Hasanbeigi and William Morrow who provided helpful comments. NR 54 TC 20 Z9 22 U1 4 U2 69 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD MAY 1 PY 2014 VL 120 BP 133 EP 146 DI 10.1016/j.apenergy.2014.01.055 PG 14 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AE2DJ UT WOS:000333783200016 ER PT J AU Jahed, Z Lin, P Seo, BB Verma, MS Gu, FX Tsui, TY Mofrad, MRK AF Jahed, Zeinab Lin, Peter Seo, Brandon B. Verma, Mohit S. Gu, Frank X. Tsui, Ting Y. Mofrad, Mohammad R. K. TI Responses of Staphylococcus aureus bacterial cells to nanocrystalline nickel nanostructures SO BIOMATERIALS LA English DT Article DE Bacteria; Adhesion; Nanostructure; Nanocrystalline; Staphylococcus aureus; Nano-pillar ID ANTIBIOTIC-RESISTANCE; MECHANICAL-PROPERTIES; IMPLANT MATERIALS; ADHESION; MICROSTRUCTURE; COLONIZATION; SURFACES; BIOMATERIALS; EPIDERMIDIS; FABRICATION AB A broad range of human diseases are associated with bacterial infections, often initiated by specific adhesion of a bacterium to the target environment. Despite the significant role of bacterial adhesion in human infectious diseases, details and mechanisms of bacterial adhesion have remained elusive. Herein, we study the physical interactions between Staphylococcus aureus, a type of micro-organism relevant to infections associated with medical implants, and nanocrystalline (nc) nickel nanostructures with various columnar features, including solid core, hollow, x-shaped and c-shaped pillars. Scanning electron microscopy results show the tendency of these bacterial cells to attach to the nickel nanostructures. Moreover, unique single bacterium attachment characteristics were observed on nickel nanostructures with dimensions comparable to the size of a single bacterium. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Jahed, Zeinab; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Bioengn, Berkeley, CA 94720 USA. [Jahed, Zeinab; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Mech Engn, Berkeley, CA 94720 USA. [Jahed, Zeinab; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Lin, Peter; Verma, Mohit S.; Gu, Frank X.; Tsui, Ting Y.] Univ Waterloo, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada. [Seo, Brandon B.; Tsui, Ting Y.] Univ Waterloo, Dept Mech Engn, Waterloo, ON N2L 3G1, Canada. RP Mofrad, MRK (reprint author), Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Bioengn, 208A Stanley Hall 1762, Berkeley, CA 94720 USA. EM mofrad@berkeley.edu RI Gu, Frank/G-8381-2011 OI Gu, Frank/0000-0001-8749-9075 FU Natural Sciences and Engineering Council of Canada, NSERC; National Science Foundation via the CAREER award [CBET-0955291]; Department of Chemical Engineering; Nanomechanics Research Institute at the University of Waterloo FX The authors would like to thank the Natural Sciences and Engineering Council of Canada, NSERC,for their support of this research project through Discovery and RTI grants as well as Graduate Fellowships to ZJ and MSV. In addition, financial support through National Science Foundation via the CAREER award (CBET-0955291) to MRKM is gratefully acknowledged. The authors gratefully acknowledge critical support and infrastructure provided for this work by the Emerging Communications Technology Institute at the University of Toronto. ZJ would like to thank the Department of Chemical Engineering, and the Nanomechanics Research Institute at the University of Waterloo for supporting her as a visiting scholar. NR 32 TC 10 Z9 10 U1 0 U2 44 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 EI 1878-5905 J9 BIOMATERIALS JI Biomaterials PD MAY PY 2014 VL 35 IS 14 BP 4249 EP 4254 DI 10.1016/j.biomaterials.2014.01.080 PG 6 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AE2BU UT WOS:000333779100001 PM 24576805 ER PT J AU Scott, BL Joyce, JJ Durakiewicz, TD Martin, RL McCleskey, TM Bauer, E Luo, HM Jia, QR AF Scott, Brian L. Joyce, John J. Durakiewicz, Tomasz D. Martin, Richard L. McCleskey, T. Mark Bauer, Eve Luo, Hongmei Jia, Quarai TI High quality epitaxial thin films of actinide oxides, carbides, and nitrides: Advancing understanding of electronic structure of f-element materials SO COORDINATION CHEMISTRY REVIEWS LA English DT Review DE Actinide oxides; Actinide nitrides; Actinide carbides; Hybrid DFT; Electronic structure; f-Elements ID POLYMER-ASSISTED-DEPOSITION; NARROW ENERGY-BANDS; DENSITY-FUNCTIONAL THEORY; CHEMICAL SOLUTION DEPOSITION; SINGLE-CRYSTAL; ELECTRICAL-PROPERTIES; MOTT INSULATORS; SOLUTION GROWTH; UO2; TEMPERATURE AB Over the past five years we have developed a solution based technique for synthesizing high quality epitaxial thin films of actinide materials. These films include oxides (UO2, U3O8, PuO2, and NpO2), UC2, UN2, UC2-xOx, and UN2-xOx. These nearly single crystal quality films have allowed unprecedented experimental measurements (ARPES, optical band gap, electrical conductivity, and XRD). These data have bench marked and advanced DFT theoretical predictions and understanding of bonding and electronic structure in f-orbital actinide materials. The synthesis and characterization of the films, measurement of electronic structure, and the resulting validation of theoretical models are reviewed. The potential impacts of this work in areas ranging from nuclear energy to environmental fate of actinides in the environment are discussed. (C) 2013 Elsevier B.V. All rights reserved. C1 [Scott, Brian L.; Joyce, John J.; Durakiewicz, Tomasz D.; Bauer, Eve; Jia, Quarai] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87544 USA. [McCleskey, T. Mark] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Martin, Richard L.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Luo, Hongmei] New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. RP Scott, BL (reprint author), Los Alamos Natl Lab, MS J514, Los Alamos, NM 87544 USA. EM bscott@lanl.gov RI Jia, Q. X./C-5194-2008; Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Mccleskey, Thomas/0000-0003-3750-3245 FU LANL Laboratory Directed Research and Development program; Department of Energy Basic Energy Sciences program; Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences FX This work was supported by the LANL Laboratory Directed Research and Development program, and the Department of Energy Basic Energy Sciences program. QXJ acknowledges the support from the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility ay Los Alamos National Laboratory. NR 72 TC 9 Z9 9 U1 7 U2 65 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0010-8545 EI 1873-3840 J9 COORDIN CHEM REV JI Coord. Chem. Rev. PD MAY PY 2014 VL 266 SI SI BP 137 EP 154 DI 10.1016/j.ccr.2013.09.019 PG 18 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AE3NC UT WOS:000333882200008 ER PT J AU Xu, XF Schimel, JP Thornton, PE Song, X Yuan, FM Goswami, S AF Xu, Xiaofeng Schimel, Joshua P. Thornton, Peter E. Song, Xia Yuan, Fengming Goswami, Santonu TI Substrate and environmental controls on microbial assimilation of soil organic carbon: a framework for Earth system models SO ECOLOGY LETTERS LA English DT Article DE microbial annual active period; Cumulative microbial activity index; substrate quality; microbial assimilation ID USE EFFICIENCY; TEMPERATURE SENSITIVITY; NITROGEN MINERALIZATION; TERRESTRIAL ECOSYSTEMS; LITTER DECOMPOSITION; THEORETICAL-MODEL; GLOBAL PATTERNS; BIOMASS CARBON; CLIMATE-CHANGE; MATTER AB A mechanistic understanding of microbial assimilation of soil organic carbon is important to improve Earth system models' ability to simulate carbon-climate feedbacks. A simple modelling framework was developed to investigate how substrate quality and environmental controls over microbial activity regulate microbial assimilation of soil organic carbon and on the size of the microbial biomass. Substrate quality has a positive effect on microbial assimilation of soil organic carbon: higher substrate quality leads to higher ratio of microbial carbon to soil organic carbon. Microbial biomass carbon peaks and then declines as cumulative activity increases. The simulated ratios of soil microbial biomass to soil organic carbon are reasonably consistent with a recently compiled global data set at the biome level. The modelling framework developed in this study offers a simple approach to incorporate microbial contributions to the carbon cycling into Earth system models to simulate carbon-climate feedbacks and explain global patterns of microbial biomass. C1 [Xu, Xiaofeng; Thornton, Peter E.; Song, Xia; Yuan, Fengming; Goswami, Santonu] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Xu, Xiaofeng; Thornton, Peter E.; Song, Xia; Yuan, Fengming; Goswami, Santonu] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Schimel, Joshua P.] Univ Calif Santa Barbara, Dept Ecol Evolut & Marine Biol, Santa Barbara, CA 93106 USA. RP Xu, XF (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. EM xux4@ornl.gov RI Thornton, Peter/B-9145-2012; Xu, Xiaofeng/B-2391-2008 OI Thornton, Peter/0000-0002-4759-5158; Xu, Xiaofeng/0000-0002-6553-6514 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) program; UT-Battelle, LLC [DE-AC05-00OR22725] FX We thank Drs. Taniya Roy Chowdhury, Jonathan Chase and three anonymous referees for their critical comments which greatly improved this manuscript. This research was sponsored by the U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) program and performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy, and this manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 51 TC 28 Z9 31 U1 9 U2 147 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1461-023X EI 1461-0248 J9 ECOL LETT JI Ecol. Lett. PD MAY PY 2014 VL 17 IS 5 BP 547 EP 555 DI 10.1111/ele.12254 PG 9 WC Ecology SC Environmental Sciences & Ecology GA AD9EW UT WOS:000333568600003 PM 24529215 ER PT J AU Whelan, G Kim, K Pelton, MA Castleton, KJ Laniak, GF Wolfe, K Parmar, R Babendreier, J Galvin, M AF Whelan, Gene Kim, Keewook Pelton, Mitch A. Castleton, Karl J. Laniak, Gerard F. Wolfe, Kurt Parmar, Rajbir Babendreier, Justin Galvin, Michael TI Design of a component-based integrated environmental modeling framework SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Integrated environmental modeling; Multimedia modeling; IEM; Risk assessment; FRAMES ID RISK-ASSESSMENT MODELS; MULTIMEDIA BENCHMARKING ANALYSIS; EARTH SYSTEM; ECOSYSTEM SERVICES; CONTAMINANT PLUME; MEPAS; MMSOILS; RESRAD; UNCERTAINTY; MANAGEMENT AB Integrated environmental modeling (IEM) includes interdependent science-based components that comprise an appropriate software modeling system and are responsible for consuming and producing information as part of the system, but moving information from one component to another (i.e., interoperability) is the responsibility of the IEM software system. We describe and discuss the Framework for Risk Analysis in Multimedia Environmental Systems (FRAMES), a component-based IEM system, from the standpoint of software design requirements which define system functionalities. Design requirements were identified in a series of workshops, attended by IEM practitioners, and reported in the development of a number of IEM software systems. The requirements cover issues associated with standards, component connectivity, linkage protocols, system architecture and functionality, and web-based access, all of which facilitate the creation of plug & play components from stand-alone models through a series of software support tools and standards. Published by Elsevier Ltd. C1 [Whelan, Gene; Kim, Keewook; Laniak, Gerard F.; Wolfe, Kurt; Parmar, Rajbir; Babendreier, Justin; Galvin, Michael] US EPA, Off Res & Dev, Athens, GA 30605 USA. [Kim, Keewook] US DOE, Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Pelton, Mitch A.; Castleton, Karl J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Whelan, G (reprint author), US EPA, Off Res & Dev, Athens, GA 30605 USA. EM Whelan.Gene@epa.gov OI Kim, Keewook/0000-0002-6625-7285 FU DOE [DW8992298301]; EPA [DW8992298301] FX The United States Environmental Protection Agency (EPA) through its Office of Research and Development collaborated in the research described here with EPA's Office of Radiation and Indoor Air, the U.S. Department of Energy's (DOE's) Pacific Northwest National Laboratory, U.S. Nuclear Regulatory Commission, and U.S. Army Corps of Engineers Engineer Research and Development Center. The authors would also like to thank Drs. Andrew Hughes, The British Geological Survey, and Scott Peckham, University of Colorado, for useful discussions on IEM software requirements. Although this document has been reviewed in accordance with EPA policy and approved for publication, it may not necessarily reflect official Agency policy. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. This research was supported in part by an appointment to the Postdoctoral Research Program at the Ecosystems Research Division administered by the Oak Ridge Institute for Science and Education through Interagency Agreement No. (DW8992298301) between DOE and EPA. NR 192 TC 10 Z9 10 U1 1 U2 26 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 MAY PY 2014 VL 55 BP 1 EP 24 DI 10.1016/j.envsoft.2014.01.016 PG 24 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AE5BW UT WOS:000334003800001 ER PT J AU Wang, DL Xu, Y Thornton, P King, A Steed, C Gu, LH Schuchart, J AF Wang, Dali Xu, Yang Thornton, Peter King, Anthony Steed, Chad Gu, Lianhong Schuchart, Joseph TI A functional test platform for the Community Land Model SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Community Earth System Model; Community Land Model; Functional test; Photosynthesis ID SURFACE MODEL; SYSTEM MODEL; VISUALIZATION; LEAVES AB The realistic representation of key biogeophysical and biogeochemical functions is the fundamental of process-based ecosystem models. A functional test platform is designed to create direct linkages between site measurements and the process-based ecosystem model within the Community Earth System Models (CESM). The platform consists of three major parts: 1) interactive user interfaces, 2) functional test models and 3) observational datasets. It provides much needed integration interfaces for both field experimentalists and ecosystem modelers to improve the model's representation of ecosystem processes within the CESM framework without large software overhead. Published by Elsevier Ltd. C1 [Wang, Dali; Thornton, Peter; King, Anthony; Steed, Chad; Gu, Lianhong] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Xu, Yang] Univ Tennessee, Dept Geog, Knoxville, TN 37966 USA. [Schuchart, Joseph] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN 37966 USA. RP Wang, DL (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. EM wangd@ornl.gov; yxu30@utk.edu; thorntonpe@ornl.gov; kingaw@ornl.gov; steedca@ornl.gov; Lianhong-gu@ornl.gov; joseph.schuchart@zih.tu-dresden.de RI Thornton, Peter/B-9145-2012; Gu, Lianhong/H-8241-2014; OI Thornton, Peter/0000-0002-4759-5158; Gu, Lianhong/0000-0001-5756-8738; Steed, Chad/0000-0002-3501-909X; Xu, Yang/0000-0003-3898-022X FU U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER); Office of Science of the Department of Energy [DE-AC05-00OR22725]; Department of Energy [DE-AC05-00OR22725] FX This research was funded by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER). This research used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract DE-AC05-00OR22725. Oak Ridge National Laboratory is managed by UT-Battelle LLC for the Department of Energy under contract DE-AC05-00OR22725. NR 14 TC 8 Z9 8 U1 0 U2 16 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 MAY PY 2014 VL 55 BP 25 EP 31 DI 10.1016/j.envsoft.2014.01.015 PG 7 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AE5BW UT WOS:000334003800002 ER PT J AU Whelan, G Kim, K Pelton, MA Soller, JA Castleton, KJ Molina, M Pachepsky, Y Zepp, R AF Whelan, Gene Kim, Keewook Pelton, Mitch A. Soller, Jeffrey A. Castleton, Karl J. Molina, Marirosa Pachepsky, Yakov Zepp, Richard TI An integrated environmental modeling framework for performing Quantitative Microbial Risk Assessments SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Integrated environmental modeling; QMRA; Risk assessment; Pathogens; Manure; Watershed modeling ID MULTIMEDIA BENCHMARKING ANALYSIS; SATURATED POROUS-MEDIA; ESCHERICHIA-COLI; DAIRY HERDS; REPRODUCIBLE RESEARCH; RECREATIONAL WATERS; SIMULATED RAINFALL; FECAL-COLIFORMS; MARINE WATER; TRANSPORT AB Standardized methods are often used to assess the likelihood of a human-health effect from exposure to a specified hazard, and inform opinions and decisions about risk management and communication. A Quantitative Microbial Risk Assessment (QMRA) is specifically adapted to detail potential human-health risks from exposure to pathogens; it can include fate and transport models for various media, including the source zone (initial fecal release), air, soil/land surface, surface water, vadose zone and aquifer. The analysis step of a QMRA can be expressed as a system of computer-based data delivery and modeling that integrates interdisciplinary, multiple media, exposure and effects models and databases. Although QMRA does not preclude using source-term and fate and transport models, it is applied most commonly where the source-term is represented by the receptor location (i.e., exposure point), so the full extent of exposure scenarios has not been rigorously modeled. An integrated environmental modeling infrastructure is, therefore, ideally suited to include fate and transport considerations and link the risk assessment paradigm between source and receptor seamlessly. A primary benefit of the source-to-outcome approach is that it allows an expanded view of relevant cause-and-effect relationships, which facilitate consideration of management options related to source terms and their fate and transport pathways. The Framework for Risk Analysis in Multimedia Environmental Systems (FRAMES) provides software technology for analysts to insert appropriate models and databases that fit the problem statement and design and construct QMRAs that are reproducible, flexible, transferable, reusable, and transparent. A sample application using different models and databases registered with FRAMES is presented. It illustrates how models are linked to assess six different manure-based contaminant sources, following three pathogens (Salmonella eterica, Cryptosporidium spp., and Escherichia coli O157:H7) to a receptor where exposures and health risk impacts are then evaluated. The modeling infrastructure demonstrates how analysts could use the system to discern which pathogens might be important and when, and which sources could contribute to their importance. Published by Elsevier Ltd. C1 [Whelan, Gene; Kim, Keewook; Molina, Marirosa; Zepp, Richard] US EPA, Off Res & Dev, Athens, GA 30605 USA. [Kim, Keewook] US DOE, Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Pelton, Mitch A.; Castleton, Karl J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Soller, Jeffrey A.] Soller Environm LLC, Berkeley, CA USA. [Pachepsky, Yakov] ARS, USDA, Beltsville, MD USA. RP Whelan, G (reprint author), US EPA, Off Res & Dev, Athens, GA 30605 USA. EM Whelan.Gene@epa.gov OI Kim, Keewook/0000-0002-6625-7285; Pachepsky, Yakov/0000-0003-0232-6090 FU U.S. Department of Energy; EPA FX The United States Environmental Protection Agency (EPA) through its Office of Research and Development collaborated with John Ravenscroft of the EPA Office of Water. 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 EPA Office of Research and Development, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. NR 161 TC 6 Z9 6 U1 3 U2 40 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 MAY PY 2014 VL 55 BP 77 EP 91 DI 10.1016/j.envsoft.2013.12.013 PG 15 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AE5BW UT WOS:000334003800007 ER PT J AU Freedman, VL Chen, XY Finsterle, S Freshley, MD Gorton, I Gosink, LJ Keating, EH Lansing, CS Moeglein, WAM Murray, CJ Pau, GSH Porter, E Purohit, S Rockhold, M Schuchardt, KL Sivaramakrishnan, C Vessilinov, VV Waichler, SR AF Freedman, Vicky L. Chen, Xingyuan Finsterle, Stefan Freshley, Mark D. Gorton, Ian Gosink, Luke J. Keating, Elizabeth H. Lansing, Carina S. Moeglein, William A. M. Murray, Christopher J. Pau, George S. H. Porter, Ellen Purohit, Sumit Rockhold, Mark Schuchardt, Karen L. Sivaramakrishnan, Chandrika Vessilinov, Velimir V. Waichler, Scott R. TI A high-performance workflow system for subsurface simulation SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Workflows; ASCEM; Akuna; Amanzi; Model calibration; Uncertainty analysis; Contaminant transport; Vadose zone ID UNCERTAINTY; MANAGEMENT; MODELS AB The U.S. Department of Energy (DOE) recently invested in developing a numerical modeling toolset called ASCEM (Advanced Simulation Capability for Environmental Management) to support modeling analyses at legacy waste sites. This investment includes the development of an open-source user environment called Akuna that manages subsurface simulation workflows. Core toolsets accessible through the Akuna user interface include model setup, grid generation, sensitivity analysis, model calibration, and uncertainty quantification. Additional toolsets are used to manage simulation data and visualize results. This new workflow technology is demonstrated by streamlining model setup, calibration, and uncertainty analysis using high performance computation for the BC Cribs Site, a legacy waste area at the Hanford Site in Washington State. For technetium-99 transport, the uncertainty assessment for potential remedial actions (e.g., surface infiltration covers) demonstrates that using multiple realizations of the geologic conceptual model results in greater variation in concentration predictions than when a single model is used. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Freedman, Vicky L.; Chen, Xingyuan; Freshley, Mark D.; Gosink, Luke J.; Lansing, Carina S.; Moeglein, William A. M.; Murray, Christopher J.; Porter, Ellen; Purohit, Sumit; Rockhold, Mark; Schuchardt, Karen L.; Sivaramakrishnan, Chandrika; Waichler, Scott R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Finsterle, Stefan; Pau, George S. H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Keating, Elizabeth H.; Vessilinov, Velimir V.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gorton, Ian] Carnegie Mellon Software Engn Inst, Pittsburgh, PA 15213 USA. RP Freedman, VL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM vicky.freedman@pnnl.gov RI Finsterle, Stefan/A-8360-2009; Pau, George Shu Heng/F-2363-2015; Vesselinov, Velimir/P-4724-2016 OI Finsterle, Stefan/0000-0002-4446-9906; Pau, George Shu Heng/0000-0002-9198-6164; Vesselinov, Velimir/0000-0002-6222-0530 FU U.S. Department of Energy Office of Environmental Management [DE-AC05-76RL01830] FX This document was prepared by the Advanced Simulation Capability for Environmental Management (ASCEM) Project. Funding for this work was provided by the U.S. Department of Energy Office of Environmental Management to Pacific Northwest National Laboratory, operated by Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC05-76RL01830. The authors are also grateful to three anonymous reviewers, whose comments significantly enhanced the readability of this paper. NR 40 TC 4 Z9 4 U1 1 U2 18 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 MAY PY 2014 VL 55 BP 176 EP 189 DI 10.1016/j.envsoft.2014.01.030 PG 14 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AE5BW UT WOS:000334003800015 ER PT J AU Rodriguez, JN Clubb, FJ Wilson, TS Miller, MW Fossum, TW Hartman, J Tuzun, E Singhal, P Maitland, DJ AF Rodriguez, Jennifer N. Clubb, Fred J. Wilson, Thomas S. Miller, Matthew W. Fossum, Theresa W. Hartman, Jonathan Tuzun, Egemen Singhal, Pooja Maitland, Duncan J. TI In vivo response to an implanted shape memory polyurethane foam in a porcine aneurysm model SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A LA English DT Article DE endothelialization; pathology; shape memory polymer; aneurysm; embolization ID UNRUPTURED CEREBRAL ANEURYSMS; GUGLIELMI DETACHABLE COILS; INTRACRANIAL ANEURYSMS; SUBARACHNOID HEMORRHAGE; ENDOVASCULAR COILING; SACCULAR ANEURYSMS; NATURAL-HISTORY; FOLLOW-UP; EMBOLIZATION; MANAGEMENT AB Cerebral aneurysms treated by traditional endovascular methods using platinum coils have a tendency to be unstable, either due to chronic inflammation, compaction of coils, or growth of the aneurysm. We propose to use alternate filling methods for the treatment of intracranial aneurysms using polyurethane-based shape memory polymer (SMP) foams. SMP polyurethane foams were surgically implanted in a porcine aneurysm model to determine biocompatibility, localized thrombogenicity, and their ability to serve as a stable filler material within an aneurysm. The degree of healing was evaluated via gross observation, histopathology, and low vacuum scanning electron microscopy imaging after 0, 30, and 90 days. Clotting was initiated within the SMP foam at time 0 (<1 h exposure to blood before euthanization), partial healing was observed at 30 days, and almost complete healing had occurred at 90 days in vivo, with minimal inflammatory response. (c) 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1231-1242, 2014. C1 [Rodriguez, Jennifer N.; Singhal, Pooja; Maitland, Duncan J.] Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA. [Clubb, Fred J.] Texas A&M Univ, Cardiovasc Pathol Lab, College Stn, TX 77843 USA. [Wilson, Thomas S.; Singhal, Pooja] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Miller, Matthew W.; Fossum, Theresa W.; Tuzun, Egemen] Texas A&M Univ, Texas Inst Preclin Studies, College Stn, TX 77845 USA. [Hartman, Jonathan] Kaiser Permanente Med Ctr, Dept Neurosurg, Sacramento, CA 95825 USA. RP Maitland, DJ (reprint author), Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA. EM djmaitland@tamu.edu FU National Institutes of Health/National Institute of Biomedical Imaging and Bioengineering [R01EB000462]; Auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Contract grant sponsor: National Institutes of Health/National Institute of Biomedical Imaging and Bioengineering; contract grant number: R01EB000462; Contract grant sponsor: Auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory; contract grant number: DE-AC52-07NA27344 NR 39 TC 19 Z9 19 U1 3 U2 51 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1549-3296 EI 1552-4965 J9 J BIOMED MATER RES A JI J. Biomed. Mater. Res. Part A PD MAY PY 2014 VL 102 IS 5 BP 1231 EP 1242 DI 10.1002/jbm.a.34782 PG 12 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AD4JB UT WOS:000333215600003 PM 23650278 ER PT J AU Gonis, A Zhang, XG Nicholson, DM Stocks, GM AF Gonis, A. Zhang, X. -G. Nicholson, D. M. Stocks, G. M. TI Energy convexity as a consequence of decoherence and pair-extensive interactions in many-electron systems SO JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS LA English DT Article DE Ab initio calculations; Electronic structure ID DENSITY-FUNCTIONAL THEORY; CHEMICAL-REACTIVITY THEORY; CONSISTENT-FIELD METHOD; COMPLEX SPECTRA; CONSTRUCTION; NUMBER AB Using the concept of self-entanglement, through which a pure state constructed in an augmented Hilbert space can describe a mixed state and through which the effects of physical decoherence can be mapped onto systems separated by an infinite distance, with the role of environmental states assumed by system states in disjoint Hilbert spaces, we show that expectation values of Hamiltonians subscribing to decoherence and satisfying the condition of extensivity, defined in the text, obey the energy convexity relation. The analysis based on self-entanglement also leads to a surprising interpretation of the failure of the convexity relation for model Hamiltonians such as the Hubbard model: The failure is due to the existence of self-entangled states with lower energies than the ground state so that in such models decoherence, i.e., disentangling from the self-entangled states, would cost energy and disallow the observation of the state through measurement. The Hubbard model is discussed extensively in an appendix where we also discuss and resolve some of the counterarguments to the convexity relation that have been advanced in the literature. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Gonis, A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Zhang, X. -G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Zhang, X. -G.; Nicholson, D. M.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Stocks, G. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Zhang, XG (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM xgz@ornl.gov RI Stocks, George Malcollm/Q-1251-2016 OI Stocks, George Malcollm/0000-0002-9013-260X NR 35 TC 1 Z9 1 U1 0 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-3697 EI 1879-2553 J9 J PHYS CHEM SOLIDS JI J. Phys. Chem. Solids PD MAY PY 2014 VL 75 IS 5 BP 680 EP 687 DI 10.1016/j.jpcs.2014.01.019 PG 8 WC Chemistry, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Physics GA AE3CV UT WOS:000333855500016 ER PT J AU Gu, LH Sun, Y AF Gu, Lianhong Sun, Ying TI Artefactual responses of mesophyll conductance to CO2 and irradiance estimated with the variable J and online isotope discrimination methods SO PLANT CELL AND ENVIRONMENT LA English DT Article DE chlorophyll fluorescence; mesophyll diffusion; photosynthesis; carbon isotope discrimination ID GAS-EXCHANGE; INTERNAL CONDUCTANCE; CARBON-DIOXIDE; CHLOROPHYLL FLUORESCENCE; DIFFUSION CONDUCTANCE; TEMPERATURE RESPONSE; PHOTOSYNTHESIS MODEL; C-3 PHOTOSYNTHESIS; BIOCHEMICAL-MODEL; POTENTIAL ERRORS AB Studies with the variable J method have reported that mesophyll conductance (g(m)) rapidly decreases with increasing intercellular CO2 partial pressures (C-i) or decreasing irradiance. Similar responses have been suggested with the online isotope discrimination method, although with less consistency. Here we show that even when the true g(m) is constant, the variable J method can produce an artefactual dependence of g(m) on C-i or irradiance similar to those reported in previous studies for any of the following factors: day respiration and chloroplastic CO2 photocompensation point are estimated with Laisk method; C-i or electron transport rate is positively biased; net photosynthetic rate is negatively biased; insufficient NADPH is assumed while insufficient ATP limits RuBP regeneration. The isotopic method produces similar artefacts if fractionation of carboxylation or C-i is positively biased or Delta(13) negatively biased. A non-zero chloroplastic resistance to CO2 movement results in a qualitatively different dependence of g(m) on C-i or irradiance and this dependence is only sensitive at low C-i. We thus cannot rule out the possibility that previously reported dependence of g(m) on C-i or irradiance is a methodological artefact. Recommendations are made to take advantage of sensitivities of the variable J and isotopic methods for estimating g(m). C1 [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Sun, Ying] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. RP Gu, LH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM lianhong-gu@ornl.gov RI Kodama, Naomi/D-9553-2011; Sun, Ying/G-6611-2016; Gu, Lianhong/H-8241-2014 OI Kodama, Naomi/0000-0001-9913-9886; Gu, Lianhong/0000-0001-5756-8738 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, Climate and Environmental Sciences Division; ORNL's Laboratory Directed Research and Development Program; U.S. Department of Energy [DE-AC05-00OR22725] FX We thank Drs Stephen G. Pallardy, Klaus Winter, Samuel C. V. Martins and Fabio M. DaMatta for suggestions that greatly improved the paper. Two exceptional anonymous reviewers contributed directly to the paper with their ideas presented as critical comments. This study was carried out at Oak Ridge National Laboratory (ORNL) with support from the U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, Climate and Environmental Sciences Division. It also received support from the ORNL's Laboratory Directed Research and Development Program. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 46 TC 27 Z9 30 U1 2 U2 46 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD MAY PY 2014 VL 37 IS 5 BP 1231 EP 1249 DI 10.1111/pce.12232 PG 19 WC Plant Sciences SC Plant Sciences GA AE1CY UT WOS:000333705200017 PM 24237289 ER PT J AU Troffaes, MCM Walter, G Kelly, D AF Troffaes, Matthias C. M. Walter, Gero Kelly, Dana TI A robust Bayesian approach to modeling epistemic uncertainty in common-cause failure models SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Common-cause failure; Alpha-factor model; Epistemic uncertainty; Conjugate prior; Imprecise Dirichlet model AB In a standard Bayesian approach to the alpha-factor model for common-cause failure, a precise Dirichlet prior distribution models epistemic uncertainty in the alpha-factors. This Dirichlet prior is then updated with observed data to obtain a posterior distribution, which forms the basis for further inferences. In this paper, we adapt the imprecise Dirichlet model of Walley to represent epistemic uncertainty in the alpha-factors. In this approach, epistemic uncertainty is expressed more cautiously via lower and upper expectations for each alpha-factor, along with a learning parameter which determines how quickly the model learns from observed data. For this application, we focus on elicitation of the learning parameter, and find that values in the range of 1 to 10 seem reasonable. The approach is compared with Kelly and Atwood's minimally informative Dirichlet prior for the alpha-factor model, which incorporated precise mean values for the alpha-factors, but which was otherwise quite diffuse. Next, we explore the use of a set of Gamma priors to model epistemic uncertainty in the marginal failure rate, expressed via a lower and upper expectation for this rate, again along with a learning parameter. As zero counts are generally less of an issue here, we find that the choice of this learning parameter is less crucial. Finally, we demonstrate how both epistemic uncertainty models can be combined to arrive at lower and upper expectations for all common-cause failure rates. Thereby, we effectively provide a full sensitivity analysis of common-cause failure rates, properly reflecting epistemic uncertainty of the analyst on all levels of the common-cause failure model. (C) 2013 Published by Elsevier Ltd. C1 [Troffaes, Matthias C. M.] Univ Durham, Durham DH1 3HP, England. [Walter, Gero] Ludwig Maximilians Univ Munchen, Munich, Germany. [Kelly, Dana] Idaho Natl Lab, Idaho Falls, ID USA. RP Troffaes, MCM (reprint author), Univ Durham, Durham DH1 3HP, England. EM matthias.troffaes@durham.ac.uk; Gero.Walter@stat.uni-muenchen.de OI Troffaes, Matthias/0000-0002-1294-600X NR 16 TC 13 Z9 13 U1 6 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD MAY PY 2014 VL 125 SI SI BP 13 EP 21 DI 10.1016/j.ress.2013.05.022 PG 9 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AE2GF UT WOS:000333790600003 ER PT J AU Chang, YJ Bley, D Criscione, L Kirwan, B Mosleh, A Madary, T Nowell, R Richards, R Roth, EM Sieben, S Zoulis, A AF Chang, Y. James Bley, Dennis Criscione, Lawrence Kirwan, Barry Mosleh, Ali Madary, Todd Nowell, Rodney Richards, Robert Roth, Emilie M. Sieben, Scott Zoulis, Antonios TI The SACADA database for human reliability and human performance SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Human reliability analysis; HRA database performance; Operator training ID DYNAMIC PROBABILISTIC SIMULATION; COMPLEX SYSTEM ACCIDENTS; OPERATING CREW RESPONSE; MODEL AB Lack of appropriate and sufficient human performance data has been identified as a key factor affecting human reliability analysis (HRA) quality especially in the estimation of human error probability (HEP). The Scenario Authoring, Characterization, and Debriefing Application (SACADA) database was developed by the U.S. Nuclear Regulatory Commission (NRC) to address this data need. An agreement between NRC and the South Texas Project Nuclear Operating Company (STPNOC) was established to support the SACADA development with aims to make the SACADA tool suitable for implementation in the nuclear power plants' operator training program to collect operator performance information. The collected data would support the STPNOC's operator training program and be shared with the NRC for improving HRA quality. This paper discusses the SACADA data taxonomy, the theoretical foundation, the prospective data to be generated from the SACADA raw data to inform human reliability and human performance, and the considerations on the use of simulator data for HRA. Each SACADA data point consists of two information segments: context and performance results. Context is a characterization of the performance challenges to task success. The performance results are the results of performing the task. The data taxonomy uses a macrocognitive functions model for the framework. At a high level, information is classified according to the macrocognitive functions of detecting the plant abnormality, understanding the abnormality, deciding the response plan, executing the response plan, and team related aspects (i.e., communication, teamwork, and supervision). The data are expected to be useful for analyzing the relations between context, error modes and error causes in human performance. Published by Elsevier Ltd. C1 [Chang, Y. James; Criscione, Lawrence; Zoulis, Antonios] US Nucl Regulatory Commiss, Rockville, MD 20852 USA. [Bley, Dennis] WreathWood Grp, Oakton, VA USA. [Mosleh, Ali] Univ Maryland, College Pk, MD 20742 USA. [Richards, Robert] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Roth, Emilie M.] Roth Cognit Engn, Menlo Pk, CA USA. RP Chang, YJ (reprint author), US Nucl Regulatory Commiss, Rockville, MD 20852 USA. EM james.chang@nrc.gov NR 30 TC 13 Z9 13 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD MAY PY 2014 VL 125 SI SI BP 117 EP 133 DI 10.1016/j.ress.2013.07.014 PG 17 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AE2GF UT WOS:000333790600012 ER PT J AU Luo, HG Hatch, C Kalb, M Hanna, J Weiss, A Sheng, SW AF Luo, Huageng Hatch, Charles Kalb, Matthew Hanna, Jesse Weiss, Adam Sheng, Shuangwen TI Effective and accurate approaches for wind turbine gearbox condition monitoring SO WIND ENERGY LA English DT Article DE acceleration enveloping; drivetrain; wind turbine; gear damage; condition monitoring; synthesized synchronous sampling; bearing damage AB This paper presents effective and accurate approaches in vibration-based wind turbine drivetrain component condition monitoring. Detailed spectral analysis and acceleration enveloping techniques were used to effectively extract the gear and bearing damage features. Synchronous analysis was used to accurately detect specific damage features during constantly varying operational conditions. A typical wind turbine gearbox amplifies shaft speed two orders of magnitude from the rotor to the generator. To account for all necessary vibration signatures, synchronous sampling must be carried out for multiple revolutions and at a relatively high rate. The synchronous sampling used in this paper was carried out in the digital domain after both the keyphasor and the vibration signals were digitized at high sampling rate and high sampling resolution analog-to-digital conversion. Sometimes, the shaft speed is provided in a speed time history format, as in the case of the National Renewable Energy Laboratory (NREL) Round Robin project. To carry out synchronous sampling using the speed time history, a unique synthesized synchronous sampling technique was adopted. The approach presented in this paper was realized using MATLAB (MathWorks, Natick, MA) codes and then validated with a wind turbine field case. It was also applied to the NREL wind turbine drivetrain condition monitoring Round Robin project. The identified damage results using the techniques discussed were compared with post-test inspection results with good correlation. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Luo, Huageng] GE Bently Nevada, Measurement & Control, Schenectady, NY USA. [Hatch, Charles; Kalb, Matthew; Hanna, Jesse; Weiss, Adam] GE Bently Nevada, Minden, NV USA. [Sheng, Shuangwen] Natl Renewable Energy Lab, Golden, CO USA. RP Luo, HG (reprint author), GE Bently Nevada, Schenectady, NY USA. EM luoh@ge.com OI sheng, shuangwen/0000-0003-0134-0907 NR 17 TC 6 Z9 6 U1 0 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 MAY PY 2014 VL 17 IS 5 SI SI BP 715 EP 728 DI 10.1002/we.1595 PG 14 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA AE1AK UT WOS:000333697400004 ER PT J AU Tufts, JAM Calfee, MW Lee, SD Ryan, SP AF Tufts, Jenia A. M. Calfee, M. Worth Lee, Sang Don Ryan, Shawn P. TI Bacillus thuringiensis as a surrogate for Bacillus anthracis in aerosol research SO WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY LA English DT Review DE Anthrax; Biological outdoor decontamination; Detection ID SURFACE HYDROPHOBICITY; STRUCTURAL DYNAMICS; STAINLESS-STEEL; CEREUS SPORES; EXOSPORIUM; PROTEIN; ARCHITECTURE; MORPHOLOGY; ADHESION; STRAINS AB Characterization of candidate surrogate spores prior to experimental use is critical to confirm that the surrogate characteristics are as closely similar as possible to those of the pathogenic agent of interest. This review compares the physical properties inherent to spores of Bacillus anthracis (Ba) and Bacillus thuringiensis (Bt) that impact their movement in air and interaction with surfaces, including size, shape, density, surface morphology, structure and hydrophobicity. Also evaluated is the impact of irradiation on the physical properties of both Bacillus species. Many physical features of Bt and Ba have been found to be similar and, while Bt is considered typically non-pathogenic, it is in the B. cereus group, as is Ba. When cultured and sporulated under similar conditions, both microorganisms share a similar cylindrical pellet shape, an aerodynamic diameter of approximately 1 mu m (in the respirable size range), have an exosporium with a hairy nap, and have higher relative hydrophobicities than other Bacillus species. While spore size, morphology, and other physical properties can vary among strains of the same species, the variations can be due to growth/sporulation conditions and may, therefore, be controlled. Growth and sporulation conditions are likely among the most important factors that influence the representativeness of one species, or preparation, to another. All Bt spores may, therefore, not be representative of all Ba spores. Irradiated spores do not appear to be a good surrogate to predict the behavior of non-irradiated spores due to structural damage caused by the irradiation. While the use of Bt as a surrogate for Ba in aerosol testing appears to be well supported, this review does not attempt to narrow selection between Bt strains. Comparative studies should be performed to test the hypothesis that viable Ba and Bt spores will behave similarly when suspended in the air (as an aerosol) and to compare the known microscale characteristics versus the macroscale response. C1 [Tufts, Jenia A. M.] Oak Ridge Inst Sci & Educ, Res Triangle Pk, NC USA. [Tufts, Jenia A. M.; Calfee, M. Worth; Lee, Sang Don; Ryan, Shawn P.] US EPA, Natl Homeland Secur Res Ctr, Off Res & Dev, Res Triangle Pk, NC 27711 USA. RP Calfee, MW (reprint author), US EPA, Natl Homeland Secur Res Ctr, Off Res & Dev, MD E343-06,109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA. EM calfee.worth@epa.gov FU National Homeland Security Research Center, U.S. Environmental Protection Agency FX This project was supported in part by an appointment to the Research Participation Program at the National Homeland Security Research Center, U.S. Environmental Protection Agency, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. Additionally, the authors would like to thank Gene Rice (U.S. Environmental Protection Agency, Cincinnati, Ohio), Vipin Rastogi (US Army - ECBC, APG, MD) and Timothy Dean (U.S. Environmental Protection Agency, Research Triangle Park, NC) for their critical review of this manuscript. NR 62 TC 7 Z9 7 U1 0 U2 22 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0959-3993 EI 1573-0972 J9 WORLD J MICROB BIOT JI World J. Microbiol. Biotechnol. PD MAY PY 2014 VL 30 IS 5 BP 1453 EP 1461 DI 10.1007/s11274-013-1576-x PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AD9YM UT WOS:000333620600002 PM 24338558 ER PT J AU Kozlowski, T Wysocki, A Gajev, I Xu, YL Downar, T Ivanov, K Magedanz, J Hardgrove, M March-Leuba, J Hudson, N Ma, WM AF Kozlowski, Tomasz Wysocki, Aaron Gajev, Ivan Xu, Yunlin Downar, Thomas Ivanov, Kostadin Magedanz, Jeffrey Hardgrove, Matthew March-Leuba, Jose Hudson, Nathanael Ma, Weimin TI Analysis of the OECD/NRC Oskarshamn-2 BWR stability benchmark SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT Scientific Workshop on Advanced Stability Analysis for Nuclear Reactors CY 2012 CL Dresden, GERMANY DE Oskarshamn-2; BWR stability; Stability event; TRACE/PARCS; Code validation; Coupled code AB On February 25, 1999, the Oskarshamn-2 NPP experienced a stability event which culminated in diverging power oscillations. The event was successfully modeled by the TRACE/PARCS coupled system code, and further uncertainty analysis of the event is described in this paper. The results show very good agreement with the plant data, capturing the entire behavior of the transient including the onset of instability, growth of the oscillations, and oscillation frequency. This provides confidence in the prediction of other parameters which are not available from the plant records. The event provides coupled code validation for a challenging BWR stability event, which involves the accurate simulation of neutron kinetics (NK), thermal-hydraulics (TH), and TH/NK coupling. The success of this work has demonstrated the ability of the 3-D coupled systems code TRACE/PARCS to capture the complex behavior of BWR stability events. The problem was released as an international OECD/NEA benchmark, and it is the first benchmark based on measured plant data for a stability event with a DR greater than one. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kozlowski, Tomasz] Univ Illinois, Urbana, IL 61801 USA. [Wysocki, Aaron; Xu, Yunlin; Downar, Thomas] Univ Michigan, Ann Arbor, MI 48109 USA. [Gajev, Ivan; Ma, Weimin] Royal Inst Technol, Stockholm, Sweden. [Ivanov, Kostadin; Magedanz, Jeffrey; Hardgrove, Matthew] Penn State Univ, University Pk, PA 16802 USA. [March-Leuba, Jose] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Hudson, Nathanael] US Nucl Regulatory Commiss, Rockville, MD USA. RP Kozlowski, T (reprint author), Univ Illinois, Urbana, IL 61801 USA. EM txk@illinois.edu OI Wysocki, Aaron/0000-0002-2204-3779 NR 13 TC 6 Z9 6 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD MAY PY 2014 VL 67 SI SI BP 4 EP 12 DI 10.1016/j.anucene.2013.09.028 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AD8JL UT WOS:000333512200002 ER PT J AU Wysocki, A March-Leuba, J Manera, A Downar, T AF Wysocki, A. March-Leuba, J. Manera, A. Downar, T. TI TRACE/PARCS analysis of out-of-phase power oscillations with a rotating line of symmetry SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT Scientific Workshop on Advanced Stability Analysis for Nuclear Reactors CY 2012 CL Dresden, GERMANY DE BWR stability; Limit cycle; Out of phase oscillations; Reactor safety; Time domain; Multiphysics ID BOILING WATER-REACTORS; BWR; INSTABILITIES AB A study of BWR out-of-phase oscillations has been performed with the TRACE/PARCS coupled code system. Unstable power oscillations with a time-dependent, rotating line of symmetry have been successfully simulated using input models from two different BWRs and applying simple Anticipated Transient Without Scram (ATWS) scenarios. The X-modes of the neutron flux were calculated using an implicitly-restarted Arnoldi solver, and the time-dependent amplitudes of the fundamental, first azimuthal, and second azimuthal power modes were determined for each simulation. After progressing in an irregular, sporadic fashion, the oscillations appeared to transition into a clear "rotating mode" that was sustained indefinitely with a fixed phase shift between modes of roughly 90 degrees. Because the phase shift did not gradually change over time, despite each mode having a different natural frequency in the linear range, the conclusion was made that a nonlinear interaction mechanism was active between the first and second subcritical azimuthal modes to maintain the constant phase shift during the limit cycle. An additional study was performed which found that a small perturbation is capable of drastically affecting the development of oscillations in a simulation when both modes (in-phase and out-of-phase) are unstable; when one of the models was modified to include a small-amplitude noise source on the first azimuthal mode, purely out-of-phase oscillations were observed, whereas the oscillations had been purely in-phase for the first 55 s when no noise signal was included. Because most ATWS event calculations involve mostly in-phase perturbations to the BWR core, it is recommended to add a small out-of-phase perturbation in simulations where both the in-phase and out-of-phase modes may be unstable. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wysocki, A.; Manera, A.; Downar, T.] Univ Michigan, Ann Arbor, MI 48109 USA. [March-Leuba, J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wysocki, A (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. EM awysock@umich.edu; marchleubaja@ornl.gov; manera@umich.edu; downar@umich.edu OI Wysocki, Aaron/0000-0002-2204-3779 NR 14 TC 3 Z9 3 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD MAY PY 2014 VL 67 SI SI BP 59 EP 69 DI 10.1016/j.anucene.2013.10.022 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AD8JL UT WOS:000333512200008 ER PT J AU Saha, D Warren, KE Naskar, AK AF Saha, Dipendu Warren, Kaitlyn E. Naskar, Amit K. TI Soft-templated mesoporous carbons as potential materials for oral drug delivery SO CARBON LA English DT Article ID CONTROLLED-RELEASE; PORE-SIZE; MOLECULAR-SIEVES; ALUMINUM INCORPORATION; SILICA; ADSORPTION; MCM-41; CAPTOPRIL; SYSTEMS; MATRIX AB Template-synthesized mesoporous carbons were successfully used in in vitro investigations of controlled delivery of three model drugs, captopril, furosemide, and ranitidine hydrochloride (HCl). Captopril and furosemide exhibited desorption kinetics over 30-40 h, and ranitidine. HCl had a complete release time of 5-10 h. As evident from the slow release kinetics, the mesoporous carbons have excellent potential for the controlled-release media of the specific drugs targeted towards oral delivery. The mesoporous carbons, synthesized from phloroglucinol and lignin, a synthetic and a sustainable precursor, respectively, exhibit BET surface area of 200-400 m(2) g(-1) and pore volume of 0.2-0.6 cm(3) g(-1). The synthetic carbon has narrower pore widths and higher pore volume than the renewable counterpart and maintains a longer release time. The release kinetics reveals that the diffusivities of the drugs from carbon media are of equivalent magnitude (10(-22) to 10(-24) m(2) s(-1)). However, a tailored reduction of pore width in the sorbent reduces the diffusivity of smaller drug molecule by an order of magnitude. Thus, engineered pore morphology, along with its functionalization potential for specific interaction, can be exploited for optimal delivery system of a preferred drug. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Saha, Dipendu; Warren, Kaitlyn E.; Naskar, Amit K.] Oak Ridge Natl Lab, Carbon & Composites Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Naskar, AK (reprint author), Oak Ridge Natl Lab, Carbon & Composites Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM naskarak@ornl.gov FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); Scientific User Facility Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the U.S. Department of Energy. Small-angle x-ray scattering (SAXS) instrumentation was sponsored by the Scientific User Facility Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors also acknowledge the assistance with instrumentation provided by Dr. Gerald (Jay) E. Jellison for UV-Vis spectroscopy and by Dr. E. Andrew Payzant for SAXS (both of ORNL). K.E.W. acknowledges the DOE-SULI program for a summer internship in the Materials Science and Technology Division, ORNL. NR 48 TC 28 Z9 28 U1 10 U2 119 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 MAY PY 2014 VL 71 BP 47 EP 57 DI 10.1016/j.carbon.2014.01.005 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AD8AK UT WOS:000333488700006 ER PT J AU Martinez, G Shutthanandan, V Thevuthasan, S Chessa, JF Rarnana, CV AF Martinez, G. Shutthanandan, V. Thevuthasan, S. Chessa, J. F. Rarnana, C. V. TI Effect of thickness on the structure, composition and properties of titanium nitride nano-coatings SO CERAMICS INTERNATIONAL LA English DT Article DE TiN; Coatings; Structure; RBS; Residual stress ID TIN THIN-FILM; PREFERRED ORIENTATION; MECHANICAL-PROPERTIES; DIFFUSION-BARRIERS; INITIAL GROWTH; DEPOSITION; TEXTURE; INTERCONNECTS; EVOLUTION; LAYERS AB Titanium nitride (TiN,) coatings were grown by magnetron sputtering onto Si(100) substrates by varying time of deposition to produce coatings with variable thickness (d(TiN)) in the range of 20-120 nit. TiNx coatings were characterized by studying their structure, composition, and mechanical properties. Nuclear reaction analysis (NRA) combined with Rutherford backscattering spectrometry (RBS) analyses indicate that the grown coatings were stoichiometric TiN. Grazing incidence X-ray diffraction (GIXRD) measurements indicate that the texturing of TiN coatings changes as a function of d(TiN). The (111) and (002) peaks appear initially; (111) becomes intense while (002) disappears with increasing d(TiN). Dense, columnar grain structure was evident for all the coatings in electron microscopy analyses. The residual stress for TiN coatings with d(TIN)similar to 120 nm was 1.07 GPa in compression while thinner samples exhibit higher values of stress. (C) 2013 Elsevier Ltd and Tecluia Group S.r.l. All rights reserved. C1 [Martinez, G.; Chessa, J. F.; Rarnana, C. V.] Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. [Shutthanandan, V.; Thevuthasan, S.] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA. RP Rarnana, CV (reprint author), Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. EM rvchintalapalle@utep.edu FU Air Force Research Laboratory (AFRL) [FA8650-05-D-1912] FX The authors at the University of Texas at El Paso (UTEP) acknowledge with pleasure the support of the Air Force Research Laboratory (AFRL) (Contract number: FA8650-05-D-1912) to perform this research work. A portion of the research presented in this manuscript was performed using Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory NR 47 TC 10 Z9 10 U1 2 U2 45 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 MAY PY 2014 VL 40 IS 4 BP 5757 EP 5764 DI 10.1016/j.ceramint.2013.11.014 PG 8 WC Materials Science, Ceramics SC Materials Science GA AC1PJ UT WOS:000332268200086 ER PT J AU Swihart, GH Carpenter, SB Xiao, Y McBay, EH Smith, DH Xia, YK AF Swihart, George H. Carpenter, Steven B. Xiao, Yun McBay, Eddie H. Smith, David H. Xia, Yingkai TI A Boron Isotope Study of the Furnace Creek, California, Borate District SO ECONOMIC GEOLOGY LA English DT Article ID MOLECULAR-ORBITAL CALCULATIONS; WESTERN TURKEY; DEATH-VALLEY; FRACTIONATION; DEPOSITS; MIOCENE; DIAGENESIS; MINERALOGY; ACIDS; LAKE AB About a third of the approximately 30 known deposits in the Furnace Creek, California, borate district reveal mineralogical zoning of borates. The deposits feature an Na-Ca borate (ulexite and/or probertite) inner zone (or zones) surrounded by Ca borate (colemanite). The remaining deposits consist essentially of colemanite. Investigators have debated the origin of the mineralogical zoning and the relationship, if any, between the zoned and colemanite-only deposits. The Ca and Na-Ca borate zoning has been characterized as either primary or formed by postdepositional alteration. Boron isotope analysis was applied to drill core samples from two zoned deposits, one non-zoned deposit, and selected samples from six other deposits accessed from surface and subsurface mine workings. Probertite samples from the inner regions of two zoned deposits yield delta B-11 values near 5 parts per thousand, whereas most colemanite samples from both zoned and non-zoned deposits yield results near -1 parts per thousand. The small delta B-11 range of most of the colemanite samples and their distribution from a grouping near 0 parts per thousand to isotopically lighter values suggest a pattern formed by alteration from a common initial value. Based on the new isotopic data and existing sedimentologic and stratigraphic knowledge of the Furnace Creek borate deposits, it is proposed that the isotopically heavier boron of probertite in the inner zone of zoned deposits reflects the composition of the ancestral lake and its springs during an early stage of deposition of the laminated series of the Furnace Creek Formation. Furthermore, the isotopically lighter B of colemanite in zoned deposits reflects the alteration of earlier formed Na-Ca borate deposits by downward migrating lake water at a later stage of deposition of the laminated series. Some non-zoned Ca borate deposits may have been precipitated directly during the later stages. C1 [Swihart, George H.] Univ Memphis, Dept Earth Sci, Memphis, TN 38152 USA. [Carpenter, Steven B.] US Borax Inc, Valencia, CA 91355 USA. [Xiao, Yun] Univ Memphis, Dept Chem, Memphis, TN 38152 USA. [McBay, Eddie H.; Smith, David H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Xia, Yingkai] Chinese Acad Sci, Qinghai Inst Salt Lakes, Key Lab Salt Lake Geol & Environm, Xining 810008, Peoples R China. RP Swihart, GH (reprint author), Univ Memphis, Dept Earth Sci, Memphis, TN 38152 USA. EM gswihart@memphis.edu FU U.S. Borax Inc. (U.S. Borax Inc., Rio Tinto Minerals); U.S. Department of Energy, Office of Basic Energy Sciences FX The authors appreciate detailed reviews that improved the paper by J. Garcia-Veigas and an anonymous reviewer. OHS wishes to thank U.S. Borax Inc. (U.S. Borax Inc., Rio Tinto Minerals) for providing grants that supported this research. Work at Oak Ridge National Laboratory was also supported by the U.S. Department of Energy, Office of Basic Energy Sciences. The authors are grateful for the courtesy of Death Valley Monument staff in facilitating access to U.S. Borax Inc. patented claims and collection of minor quantities of borate samples for research purposes. NR 30 TC 0 Z9 1 U1 2 U2 7 PU SOC ECONOMIC GEOLOGISTS, INC PI LITTLETON PA 7811 SCHAFFER PARKWAY, LITTLETON, CO 80127 USA SN 0361-0128 EI 1554-0774 J9 ECON GEOL JI Econ. Geol. PD MAY PY 2014 VL 109 IS 3 BP 567 EP 580 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7BG UT WOS:000332681400002 ER PT J AU Thunga, M Akinc, M Kessler, MR AF Thunga, M. Akinc, M. Kessler, M. R. TI Tailoring the toughness and CTE of high temperature bisphenol E cyanate ester (BECy) resin SO EXPRESS POLYMER LETTERS LA English DT Article DE thermosetting resins, bisphenol E cyanate ester; polymer matrix composites, injection repair; polymer blends and alloys ID MECHANICAL-PROPERTIES; FIBER COMPOSITES; EPOXY-RESIN; MORPHOLOGY; BLENDS; NANOCOMPOSITES AB The objective of the present work is to enhancing the toughness and minimizing the CTE of a special class of bisphenol E cyanate ester (BECy) resin by blending it with a thermoplastic toughening agent. Poly(ether sulfone) was chosen as a high temperature resistant thermoplastic resin to enhance the thermo-mechanical properties of BECy. The influence of poly(ether sulfone)/BECy blend composition on the morphology and phase behavior was studied using scanning electron microscopy and dynamic mechanical analysis. The mechanical properties of the blends were evaluated by flexural tests, which demonstrated significant enhancement in the material's toughness with an increase in PES concentration from 0 to 15 wt%. The coefficient of thermal expansion of pure BECy was reduced from 61 to 48 ppm/degrees C in the blends with PES, emphasizing the multi-functional benefits of PES as a toughening agent in BECy. C1 [Thunga, M.; Akinc, M.; Kessler, M. R.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Thunga, M.; Akinc, M.; Kessler, M. R.] US DOE, Ames Lab, Ames, IA USA. [Kessler, M. R.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Kessler, MR (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM MichaelR.Kessler@wsu.edu RI Kessler, Michael/C-3153-2008 OI Kessler, Michael/0000-0001-8436-3447 NR 27 TC 3 Z9 3 U1 7 U2 43 PU BUDAPEST UNIV TECHNOL & ECON PI BUDAPEST PA DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY SN 1788-618X J9 EXPRESS POLYM LETT JI Express Polym. Lett. PD MAY PY 2014 VL 8 IS 5 BP 336 EP 344 DI 10.3144/expresspolymlett.2014.37 PG 9 WC Polymer Science SC Polymer Science GA AC6HU UT WOS:000332623200005 ER PT J AU Zhang, JS He, CY Zhou, YY Zhu, S Shuai, GY AF Zhang, Jinshui He, Chunyang Zhou, Yuyu Zhu, Shuang Shuai, Guanyuan TI Prior-knowledge-based spectral mixture analysis for impervious surface mapping SO INTERNATIONAL JOURNAL OF APPLIED EARTH OBSERVATION AND GEOINFORMATION LA English DT Article DE Impervious surface; V-I-S; Spectral mixture analysis; Prior-knowledge ID LANDSAT THEMATIC MAPPER; ENDMEMBER VARIABILITY; IMAGE CLASSIFICATION; BRAZILIAN AMAZON; COVER CHANGE; AREAS; MODEL; ORTHOGONALITY; FRACTIONS; FEATURES AB In this study, we developed a prior-knowledge-based spectral mixture analysis (PKSMA) to map impervious surfaces by using endmembers derived separately for high- and low-density urban regions. First, an urban area was categorized into high- and low-density urban areas, using a multi-step classification method. Next, in high-density urban areas that were assumed to have only vegetation and impervious surfaces (ISs), the vegetation-impervious model (V-I) was used in a spectral mixture analysis (SMA) with three endmembers: vegetation, high albedo, and low albedo. In low-density urban areas, the vegetation-impervious-soil model (V-I-S) was used in an SMA analysis with four endmembers: high albedo, low albedo, soil, and vegetation. The fraction of IS with high and low albedo in each pixel was combined to produce the final IS map. The root mean-square error (RMSE) of the IS map produced using PKSMA was about 11.0%, compared to 14.52% only using four-endmember SMA. Particularly in high-density urban areas, PKSMA (RMSE = 6.47%) showed better performance than four-endmember (15.91%). The results indicate that PKSMA can improve IS mapping compared to traditional SMA by using appropriately selected endmembers and is particularly strong in high-density urban areas. (C) 2013 Elsevier B.V. All rights reserved. C1 [Zhang, Jinshui; He, Chunyang; Zhu, Shuang; Shuai, Guanyuan] Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Zhang, Jinshui; Zhu, Shuang; Shuai, Guanyuan] Beijing Normal Univ, Coll Resources Sci & Technol, Beijing 100875, Peoples R China. [He, Chunyang] Beijing Normal Univ, CHESS, Beijing 100875, Peoples R China. [Zhou, Yuyu] Pacific NW Natl Lab, College Pk, MD 20740 USA. RP He, CY (reprint author), Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. EM hcy@bnu.edu.cn FU National Key Technology RD Program [2012BAH33802-03]; National High-Tech Natural Science Foundation of China [41222003] FX This research was supported by the National Key Technology R&D Program (2012BAH33802-03), the National High-Tech Natural Science Foundation of China (Grant No. 41222003). We thank the anonymous reviewers and editors for their valuable comments and suggestions on improving the quality of this paper. NR 46 TC 6 Z9 6 U1 4 U2 30 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 MAY PY 2014 VL 28 BP 201 EP 210 DI 10.1016/j.jag.2013.12.001 PG 10 WC Remote Sensing SC Remote Sensing GA AC3NR UT WOS:000332429000019 ER PT J AU Hardage, BA DeAngelo, M Sava, D Wagner, D Murray, P Sullivan, C Simmons, J Ebrom, D Roche, S Zhou, R AF Hardage, Bob A. DeAngelo, Michael Sava, Diana Wagner, Donald Murray, Paul Sullivan, Charlotte Simmons, James Ebrom, Dan Roche, Steve Zhou, Ran TI Introduction to special section: Multicomponent seismic interpretation SO INTERPRETATION-A JOURNAL OF SUBSURFACE CHARACTERIZATION LA English DT Editorial Material C1 [Hardage, Bob A.; DeAngelo, Michael; Sava, Diana; Wagner, Donald] Univ Texas Austin, Bur Econ Geol, Austin, TX 78712 USA. [Murray, Paul] PGS Amer Inc, Austin, TX USA. [Sullivan, Charlotte] Pacific NW Natl Lab, Richland, WA 99352 USA. [Simmons, James] ION, Boulder, CO USA. [Ebrom, Dan] STATOIL, Houston, TX USA. [Roche, Steve] Cimarex, Tulsa, OK USA. [Zhou, Ran] Halliburton, Houston, TX USA. RP Hardage, BA (reprint author), Univ Texas Austin, Bur Econ Geol, Austin, TX 78712 USA. EM bob.hardage@beg.utexas.edu; mike.deangelo@beg.utexas.edu; diana.sava@beg.utexas.edu; zdew05@gmail.com; multicomponent@gmail.com; charlotte.sullivan@pnnl.gov; jimmons1@me.com; daeb@statoil.com; sroche@cimarex.com; ran.zhou@halliburton.com NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 2324-8858 EI 2324-8866 J9 INTERPRETATION-J SUB JI Interpretation PD MAY PY 2014 VL 2 IS 2 BP SEI EP SEII DI 10.1190/INT2014-0324-SPSEINTRO.1 PG 2 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CV3ZJ UT WOS:000364204900014 ER PT J AU Sandy, A AF Sandy, Alec TI Hidden motion made known - rotational X-ray tracking reveals spinning colloids SO IUCRJ LA English DT Editorial Material C1 Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. RP Sandy, A (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Lemont, IL 60439 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2014 VL 1 BP 153 EP 154 DI 10.1107/S2052252514008549 PN 3 PG 2 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3QA UT WOS:000356864000002 PM 25075332 ER PT J AU Tyrsted, C Lock, N Jensen, KMO Christensen, M Bojesen, ED Emerich, H Vaughan, G Billinge, SJL Iversen, BB AF Tyrsted, Christoffer Lock, Nina Jensen, Kirsten M. O. Christensen, Mogens Bojesen, Espen D. Emerich, Hermann Vaughan, Gavin Billinge, Simon J. L. Iversen, Bo B. TI Evolution of atomic structure during nanoparticle formation SO IUCRJ LA English DT Article DE total scattering; EXAFS; PDF; in situ; nanoparticle ID HETEROGENEOUS CATALYST FORMATION; YTTRIA-STABILIZED ZIRCONIA; IN-SITU; SUPERCRITICAL FLUIDS; HYDROTHERMAL CONDITIONS; WATCHING NANOPARTICLES; SOLVOTHERMAL SYNTHESIS; SYNCHROTRON-RADIATION; INORGANIC MATERIALS; POWDER DIFFRACTION AB Understanding the mechanism of nanoparticle formation during synthesis is a key prerequisite for the rational design and engineering of desirable materials properties, yet remains elusive due to the difficulty of studying structures at the nanoscale under real conditions. Here, the first comprehensive structural description of the formation of a nanoparticle, yttria-stabilized zirconia (YSZ), all the way from its ionic constituents in solution to the final crystal, is presented. The transformation is a complicated multi-step sequence of atomic reorganizations as the material follows the reaction pathway towards the equilibrium product. Prior to nanoparticle nucleation, reagents reorganize into polymeric species whose structure is incompatible with the final product. Instead of direct nucleation of clusters into the final product lattice, a highly disordered intermediate precipitate forms with a local bonding environment similar to the product yet lacking the correct topology. During maturation, bond reforming occurs by nucleation and growth of distinct domains within the amorphous intermediary. The present study moves beyond kinetic modeling by providing detailed real-time structural insight, and it is demonstrated that YSZ nanoparticle formation and growth is a more complex chemical process than accounted for in conventional models. This level of mechanistic understanding of the nanoparticle formation is the first step towards more rational control over nanoparticle synthesis through control of both solution precursors and reaction intermediaries. C1 [Tyrsted, Christoffer; Lock, Nina; Jensen, Kirsten M. O.; Christensen, Mogens; Bojesen, Espen D.; Iversen, Bo B.] Aarhus Univ, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus, Denmark. [Tyrsted, Christoffer; Lock, Nina; Jensen, Kirsten M. O.; Christensen, Mogens; Bojesen, Espen D.; Iversen, Bo B.] Aarhus Univ, iNANO, DK-8000 Aarhus, Denmark. [Lock, Nina] Univ Gottingen, Fac Chem, D-37077 Gottingen, Germany. [Jensen, Kirsten M. O.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Emerich, Hermann] European Synchrotron Radiat Facil, SNBL, F-38043 Grenoble, France. [Vaughan, Gavin] European Synchrotron Radiat Facil, ID11, F-38043 Grenoble, France. [Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. EM sb2896@columbia.edu; bo@chem.au.dk RI Jensen, Kirsten Marie Ornsbj/I-9367-2012; Bojesen, Espen/O-7391-2015 OI Jensen, Kirsten Marie Ornsbj/0000-0003-0291-217X; Bojesen, Espen/0000-0002-9352-9514 FU Danish National Research Foundation [DNRF93]; Danish Research Council for Nature and Universe (Danscatt); Center for Re-Defining Photovoltaic Efficiency Through Molecule Scale Control (RPEMSC) - US Department of Energy, Office of Basic Energy Sciences [DE-SC0001085] FX This work was supported by the Danish National Research Foundation (DNRF93) and the Danish Research Council for Nature and Universe (Danscatt). Work at Columbia University was supported as part of the Center for Re-Defining Photovoltaic Efficiency Through Molecule Scale Control (RPEMSC) funded by the US Department of Energy, Office of Basic Energy Sciences under award No. DE-SC0001085. ESRF is thanked for beam time. NR 58 TC 14 Z9 14 U1 8 U2 27 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2014 VL 1 BP 165 EP 171 DI 10.1107/S2052252514006538 PN 3 PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3QA UT WOS:000356864000005 PM 25075335 ER PT J AU Liang, MN Harder, R Robinson, IK AF Liang, Mengning Harder, Ross Robinson, Ian K. TI Brownian motion studies of viscoelastic colloidal gels by rotational single particle tracking SO IUCRJ LA English DT Article DE rotational X-ray tracking; rotational dynamics; colloidal gels ID COMPLEX FLUIDS; SOFT MATERIALS; X-RAYS; RHEOLOGY; MICRORHEOLOGY; SPECTROSCOPY; SUSPENSIONS; BEHAVIOR; ACIDS AB Colloidal gels have unique properties due to a complex microstructure which forms into an extended network. Although the bulk properties of colloidal gels have been studied, there has been difficulty correlating those properties with individual colloidal dynamics on the microscale due to the very high viscosity and elasticity of the material. We utilize rotational X-ray tracking (RXT) to investigate the rotational motion of component crystalline colloidal particles in a colloidal gel of alumina and decanoic acid. Our investigation has determined that the high elasticity of the bulk is echoed by a high elasticity experienced by individual colloidal particles themselves but also finds an unexpected high degree of rotational diffusion, indicating a large degree of freedom in the rotational motion of individual colloids even within a tightly bound system. C1 [Liang, Mengning; Robinson, Ian K.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Liang, Mengning] Deutsch Elektronensynchrotron, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Harder, Ross] Argonne Natl Lab, Argonne, IL 60439 USA. [Robinson, Ian K.] UCL, Ctr Nanotechnol, London WC1H 0AH, England. RP Liang, MN (reprint author), Univ Illinois, Dept Phys, Urbana, IL 61801 USA. EM mengning.liang@desy.de FU National Science Foundation [DMR03-08660]; DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank C. Pernell for his help with the rheometry measurements. This work was supported by the National Science Foundation (DMR03-08660). The UNICAT/XOR-UNI beamline at the APS at Argonne National Laboratory was a collaborative facility of the US Department of Energy (DOE), Oak Ridge National Laboratory and the University of Illinois at Urbana-Champaign, Materials Research Laboratory. The use of the APS was supported by the DOE, Office of Science, Office of Basic Energy Sciences (DE-AC02-06CH11357). NR 38 TC 4 Z9 4 U1 3 U2 7 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2014 VL 1 BP 172 EP 178 DI 10.1107/S2052252514006022 PN 3 PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3QA UT WOS:000356864000006 PM 25075336 ER PT J AU Dauter, Z Wlodawer, A Minor, W Jaskolski, M Rupp, B AF Dauter, Zbigniew Wlodawer, Alexander Minor, Wladek Jaskolski, Mariusz Rupp, Bernhard TI Avoidable errors in deposited macromolecular structures: an impediment to efficient data mining SO IUCRJ LA English DT Article DE macromolecular crystallography; model validation; Protein Data Bank ID PROTEIN DATA-BANK; VALIDATION TASK-FORCE; CRYSTAL-STRUCTURE; CRYSTALLOGRAPHIC ANALYSIS; POWDER DIFFRACTION; DATA QUALITY; UNIT-CELL; Z-DNA; RESOLUTION; BINDING AB Whereas the vast majority of the more than 85 000 crystal structures of macromolecules currently deposited in the Protein Data Bank are of high quality, some suffer from a variety of imperfections. Although this fact has been pointed out in the past, it is still worth periodic updates so that the metadata obtained by global analysis of the available crystal structures, as well as the utilization of the individual structures for tasks such as drug design, should be based on only the most reliable data. Here, selected abnormal deposited structures have been analysed based on the Bayesian reasoning that the correctness of a model must be judged against both the primary evidence as well as prior knowledge. These structures, as well as information gained from the corresponding publications (if available), have emphasized some of the most prevalent types of common problems. The errors are often perfect illustrations of the nature of human cognition, which is frequently influenced by preconceptions that may lead to fanciful results in the absence of proper validation. Common errors can be traced to negligence and a lack of rigorous verification of the models against electron density, creation of non-parsimonious models, generation of improbable numbers, application of incorrect symmetry, illogical presentation of the results, or violation of the rules of chemistry and physics. Paying more attention to such problems, not only in the final validation stages but during the structure-determination process as well, is necessary not only in order to maintain the highest possible quality of the structural repositories and databases but most of all to provide a solid basis for subsequent studies, including large-scale data-mining projects. For many scientists PDB deposition is a rather infrequent event, so the need for proper training and supervision is emphasized, as well as the need for constant alertness of reason and critical judgment as absolutely necessary safeguarding measures against such problems. Ways of identifying more problematic structures are suggested so that their users may be properly alerted to their possible shortcomings. C1 [Dauter, Zbigniew] NCI, Synchrotron Radiat Res Sect, Macromol Crystallog Lab, Argonne Natl Lab, Argonne, IL 60439 USA. [Wlodawer, Alexander] NCI, Prot Struct Sect, Macromol Crystallog Lab, Frederick, MD 21702 USA. [Minor, Wladek] Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA. [Minor, Wladek] Midwest Ctr Struct Genom, Argonne, IL USA. [Minor, Wladek] New York Struct Genom Consortium, New York, NY USA. [Minor, Wladek] Ctr Struct Genom Infect Dis, Seattle, WA USA. [Minor, Wladek] Enzyme Funct Initiat, Urbana, IL USA. [Jaskolski, Mariusz] Adam Mickiewicz Univ, Fac Chem, Dept Crystallog, Poznan, Poland. [Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland. [Rupp, Bernhard] KK Hofkristallamt, Vista, CA 92084 USA. [Rupp, Bernhard] Med Univ Innsbruck, Dept Genet Epidemiol, A-6020 Innsbruck, Austria. RP Dauter, Z (reprint author), NCI, Synchrotron Radiat Res Sect, Macromol Crystallog Lab, Argonne Natl Lab, Argonne, IL 60439 USA. EM dauter@anl.gov OI Minor, Wladek/0000-0001-7075-7090 FU NIH, National Cancer Institute, Center for Cancer Research; European Union [PIIF-GA-2011-300025]; National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services [HHSN272201200026C]; NIH [GM094662, GM093342, GM053163, GM094585] FX The authors wish to thank Szymon Krzywda, Mirek Gilski, Ivan Shabalin and Marcin Cymborowski for help in the preparation of some of the data used as examples. This work was supported in part by the Intramural Research Program of the NIH, National Cancer Institute, Center for Cancer Research (ZD and AW). BR acknowledges support from the European Union under a FP7 Marie Curie People Action, grant PIIF-GA-2011-300025 (SAXCESS). WM was supported by federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services under Contract No. HHSN272201200026C and by NIH grants GM094662, GM093342, GM053163 and GM094585. NR 84 TC 29 Z9 29 U1 2 U2 12 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2014 VL 1 BP 179 EP 193 DI 10.1107/S2052252514005442 PN 3 PG 15 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3QA UT WOS:000356864000007 PM 25075337 ER PT J AU Dunkle, A Blanchette, C Boone, T Corzett, M Hwang, M Fischer, N Lehmann, D Lychak, C Hoeprich, P Driks, A Rasley, A AF Dunkle, Alexis Blanchette, Craig Boone, Tyler Corzett, Michele Hwang, Mona Fischer, Nicholas Lehmann, Doerte Lychak, Cheri Hoeprich, Paul Driks, Adam Rasley, Amy TI Use of biologic nanolipoprotein particles containing monophosphoryl lipid A as a novel vaccine platform against inhalational pathogens SO JOURNAL OF IMMUNOLOGY LA English DT Meeting Abstract C1 [Dunkle, Alexis; Blanchette, Craig; Corzett, Michele; Hwang, Mona; Fischer, Nicholas; Lychak, Cheri; Hoeprich, Paul; Rasley, Amy] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. [Boone, Tyler; Lehmann, Doerte; Driks, Adam] Loyola Univ, Med Ctr, Dept Microbiol & Immunol, Maywood, IL 60153 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 EI 1550-6606 J9 J IMMUNOL JI J. Immunol. PD MAY 1 PY 2014 VL 192 SU 1 MA VAC7P.956 PG 1 WC Immunology SC Immunology GA V44RB UT WOS:000209765002079 ER PT J AU Gupta, G Pardington, P Chaudhary, A Zeytun, A Harris, J Ribeiro, R AF Gupta, Goutam Pardington, Paige Chaudhary, Anu Zeytun, Ahmet Harris, Jennifer Ribeiro, Ruy TI Host innate immune responses are different for high and low pathogenicity influenza A virus subtypes SO JOURNAL OF IMMUNOLOGY LA English DT Meeting Abstract C1 [Gupta, Goutam; Pardington, Paige; Chaudhary, Anu; Zeytun, Ahmet; Harris, Jennifer] LANL, Biosci, Los Alamos, NM USA. [Ribeiro, Ruy] Los Alamos Natl Lab, Theory Div, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 EI 1550-6606 J9 J IMMUNOL JI J. Immunol. PD MAY 1 PY 2014 VL 192 SU 1 MA INM8P.443 PG 1 WC Immunology SC Immunology GA V44RB UT WOS:000209765004136 ER PT J AU Gupta, G Wren, M Ganguly, K Pardington, P AF Gupta, Goutam Wren, Melinda Ganguly, Kumkum Pardington, Paige TI Multi-drug resistance efflux pumps confer additional resistance against host innate immune defense via induction of genes for biofilm formation and virulence SO JOURNAL OF IMMUNOLOGY LA English DT Meeting Abstract C1 [Gupta, Goutam; Wren, Melinda; Ganguly, Kumkum; Pardington, Paige] LANL, Biosci, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 EI 1550-6606 J9 J IMMUNOL JI J. Immunol. PD MAY 1 PY 2014 VL 192 SU 1 MA MPF3P.803 PG 1 WC Immunology SC Immunology GA V44RB UT WOS:000209765002157 ER PT J AU Wilson, B Mahajan, A Lidke, D Tung, CS Manavi, K Tapia, L Bradbury, A Hlavacek, W AF Wilson, Bridget Mahajan, Avanika Lidke, Diane Tung, Chang-Shung Manavi, Kasra Tapia, Lydia Bradbury, Andrew Hlavacek, William TI Structure-function relationships that govern FccRI signaling by allergens SO JOURNAL OF IMMUNOLOGY LA English DT Meeting Abstract C1 [Wilson, Bridget; Mahajan, Avanika; Lidke, Diane; Tapia, Lydia] Univ New Mexico, Dept Pathol, Albuquerque, NM 87131 USA. [Manavi, Kasra; Tapia, Lydia] Univ New Mexico, Comp Sci, Albuquerque, NM 87131 USA. [Tung, Chang-Shung; Bradbury, Andrew; Hlavacek, William] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 EI 1550-6606 J9 J IMMUNOL JI J. Immunol. PD MAY 1 PY 2014 VL 192 SU 1 MA HYP3P.344 PG 1 WC Immunology SC Immunology GA V44RB UT WOS:000209765003110 ER PT J AU Chan, HS Anderson, T Nysus, M Makvandi, M de Blois, E Atcher, R Konijnenberg, M Breeman, W de Jong, M Norenberg, J AF Chan, Ho Sze Anderson, Tamara Nysus, Monique Makvandi, Mehran de Blois, Erik Atcher, Robert Konijnenberg, Mark Breeman, Wouter de Jong, Marion Norenberg, Jeffrey TI Determine tolerated dose of 213Bi-DOTA-TATE in AR42J nu/nu mice SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Chan, Ho Sze; de Blois, Erik; Konijnenberg, Mark; Breeman, Wouter; de Jong, Marion] Erasmus MC, Nucl Med, Rotterdam, Netherlands. [Anderson, Tamara; Nysus, Monique; Makvandi, Mehran; Norenberg, Jeffrey] Univ New Mexico, Hlth Sci Ctr, Coll Pharm, Radiopharmaceut Sci Program, Albuquerque, NM 87131 USA. [Atcher, Robert] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 1480 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438102146 ER PT J AU Chan, HS Anderson, T Nysus, M Makvandi, M de Blois, E Atcher, R Konijnenberg, M Breeman, W de Jong, M Norenberg, J AF Chan, Ho Sze Anderson, Tamara Nysus, Monique Makvandi, Mehran de Blois, Erik Atcher, Robert Konijnenberg, Mark Breeman, Wouter de Jong, Marion Norenberg, Jeffrey TI Estimating pharmacokinetics for targeted alpha therapy using 111In-DOTA-TATE in AR42J bearing nu/nu mice SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Chan, Ho Sze; de Blois, Erik; Konijnenberg, Mark; Breeman, Wouter; de Jong, Marion] Erasmus MC, Nucl Med, Rotterdam, Netherlands. [Anderson, Tamara; Nysus, Monique; Makvandi, Mehran; Norenberg, Jeffrey] Univ New Mexico, Coll Pharm, Hlth Sci Ctr, Radiopharmaceut Sci Program, Albuquerque, NM 87131 USA. [Atcher, Robert] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 1035 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438101199 ER PT J AU DeLorme, K Engle, J Kowash, B Nortier, F Birnbaum, E McHale, S Clinton, J John, K Jackman, K Marus, L AF DeLorme, Keriann Engle, Jonathan Kowash, Benjamin Nortier, Francois Birnbaum, Eva McHale, Stephen Clinton, Justin John, Kevin Jackman, Kevin Marus, Lauren TI Production potential of Sc-47 using spallation neutrons at the Los Alamos Isotope Production Facility SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Engle, Jonathan; Nortier, Francois; Birnbaum, Eva; Clinton, Justin; John, Kevin; Jackman, Kevin; Marus, Lauren] Los Alamos Natl Lab, Inorgan Isotope & Actinide Chem, Los Alamos, NM USA. [DeLorme, Keriann; Kowash, Benjamin; McHale, Stephen] Air Force Inst Technol, Engn Phys, Wright Patterson AFB, OH USA. NR 0 TC 4 Z9 4 U1 1 U2 3 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 1468 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438102134 ER PT J AU Ferrero, A Peng, QY Zhou, J Burkett, G Bec, J Gazi, P Sumanasena, MGB Godinez, F Boone, J Badawi, R AF Ferrero, Andrea Peng, Qiyu Zhou, Jian Burkett, George Bec, Julien Gazi, Peymon Sumanasena, M. G. Buddika Godinez, Felipe Boone, John Badawi, Ramsey TI Performance characterization of a new generation breast and extremity PET/CT scanner SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Ferrero, Andrea; Zhou, Jian; Burkett, George; Bec, Julien; Gazi, Peymon; Sumanasena, M. G. Buddika; Godinez, Felipe; Boone, John; Badawi, Ramsey] Univ Calif Davis, Biomed Engn, Davis, CA 95616 USA. [Peng, Qiyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2144 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438104305 ER PT J AU Ferrero, A Peng, QY Zhou, J Burkett, G Bec, J Gazi, P Sumanasena, MGB Godinez, F Boone, J Badawi, R AF Ferrero, Andrea Peng, Qiyu Zhou, Jian Burkett, George Bec, Julien Gazi, Peymon Sumanasena, M. G. Buddika Godinez, Felipe Boone, John Badawi, Ramsey TI Performance characterization of a new generation breast and extremity PET/CT scanner SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Ferrero, Andrea; Zhou, Jian; Burkett, George; Bec, Julien; Gazi, Peymon; Sumanasena, M. G. Buddika; Godinez, Felipe; Boone, John; Badawi, Ramsey] Univ Calif Davis, Biomed Engn, Davis, CA 95616 USA. [Peng, Qiyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2144 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438103315 ER PT J AU Fitzsimmons, J Mausner, L AF Fitzsimmons, Jonathan Mausner, Leonard TI Purification of production scale amounts of Ge-68 from irradiated gallium metal SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Fitzsimmons, Jonathan; Mausner, Leonard] Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 102 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438100103 ER PT J AU Frost, S Miller, B Back, T Santos, E Hamlin, D Press, O Storb, R Wilbur, DS Sandmaier, B Pagel, J AF Frost, Sofia Miller, Brian Back, Tom Santos, Erlinda Hamlin, Donald Press, Oliver Storb, Rainer Wilbur, D. Scott Sandmaier, Brenda Pagel, John TI Anti-CD45 monoclonal antibody (MAb) dose optimization for astatine-211 (At-211) -radioimmunotherapy (RIT) of relapsed non-Hodgkin lymphoma (NHL) in a canine model SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Frost, Sofia; Santos, Erlinda; Press, Oliver; Storb, Rainer; Sandmaier, Brenda; Pagel, John] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Miller, Brian] Pacific NW Natl Lab, Richland, WA 99352 USA. [Back, Tom] Univ Gothenburg, Gothenburg, Sweden. [Hamlin, Donald; Wilbur, D. Scott] Univ Washington, Seattle, WA 98195 USA. NR 0 TC 1 Z9 1 U1 2 U2 2 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 637 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438101132 ER PT J AU Shi, C Pan, H Abdalah, M Boutchko, R Mitra, D Gullberg, G AF Shi, Chen Pan, Hui Abdalah, Mahmoud Boutchko, Rostyslav Mitra, Debasis Gullberg, Grant TI Image reconstruction with a primal-dual algorithm SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Shi, Chen; Pan, Hui; Abdalah, Mahmoud; Mitra, Debasis] Florida Inst Technol, Comp Sci, Melbourne, FL 32901 USA. [Boutchko, Rostyslav; Gullberg, Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2120 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438104281 ER PT J AU Shi, C Pan, H Abdalah, M Boutchko, R Mitra, D Gullberg, G AF Shi, Chen Pan, Hui Abdalah, Mahmoud Boutchko, Rostyslav Mitra, Debasis Gullberg, Grant TI Image reconstruction with a primal-dual algorithm SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Shi, Chen; Pan, Hui; Abdalah, Mahmoud; Mitra, Debasis] Florida Inst Technol, Comp Sci, Melbourne, FL 32901 USA. [Boutchko, Rostyslav; Gullberg, Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Radiotracer Dev & Imaging Technol, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2120 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438103291 ER PT J AU Shrestha, U Verdin, E Yeghiazarians, Y Boyle, A Botvinick, E Seo, Y Gullberg, G AF Shrestha, Uttam Verdin, Emily Yeghiazarians, Yerem Boyle, Andrew Botvinick, Elias Seo, Youngho Gullberg, Grant TI Correspondence between regional myocardial blood flow measured with dynamic SPECT and coronary vasculature using angiography SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Shrestha, Uttam; Verdin, Emily; Seo, Youngho] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. [Botvinick, Elias] Univ Calif San Francisco, Dept Med, San Francisco, CA USA. [Yeghiazarians, Yerem; Boyle, Andrew] Univ Calif San Francisco, Cardiovasc Res Inst, San Francisco, CA 94143 USA. [Gullberg, Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Radiotracer Dev & Imaging Technol, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 1759 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438102425 ER PT J AU Sumanasena, MGB Godinez, F Ferrero, A Chaudhari, A Peng, QY Farrell, R Moses, W Badawi, R AF Sumanasena, M. G. Buddika Godinez, Felipe Ferrero, Andrea Chaudhari, Abhijit Peng, Qiyu Farrell, Richard Moses, William Badawi, Ramsey TI A modular hybrid PSPMT/APD depth encoding detector for high resolution positron emission tomography SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Sumanasena, M. G. Buddika; Godinez, Felipe; Ferrero, Andrea; Chaudhari, Abhijit; Badawi, Ramsey] Univ Calif Davis, Davis, CA 95616 USA. [Peng, Qiyu; Moses, William] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Farrell, Richard] Radiat Monitoring Devices, Watertown, MA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2134 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438104295 ER PT J AU Sumanasena, MGB Godinez, F Ferrero, A Chaudhari, A Peng, QY Farrell, R Moses, W Badawi, R AF Sumanasena, M. G. Buddika Godinez, Felipe Ferrero, Andrea Chaudhari, Abhijit Peng, Qiyu Farrell, Richard Moses, William Badawi, Ramsey TI A modular hybrid PSPMT/APD depth encoding detector for high resolution positron emission tomography SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Sumanasena, M. G. Buddika; Godinez, Felipe; Ferrero, Andrea; Chaudhari, Abhijit; Badawi, Ramsey] Univ Calif Davis, Davis, CA 95616 USA. [Peng, Qiyu; Moses, William] Lawrence Berkley Natl Lab, Berkeley, CA USA. [Farrell, Richard] Radiat Monitoring Devices, Watertown, MA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 2134 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438103305 ER PT J AU Zan, YL Li, B Huang, Q Gullberg, G AF Zan, Yunlong Li, Biao Huang, Qiu Gullberg, Grant TI Reconstruction of cardiac phase information using non-ECG gated cardiac SPECT animal imaging: A preliminary study SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging (SNMMI) CY JUN 07-11, 2014 CL St Louis, MO SP Soc Nucl Med & Mol Imaging C1 [Zan, Yunlong; Li, Biao; Huang, Qiu] Shanghai Jiao Tong Univ, Sch Med, Sch Biomed Engn, Rui Jin Hosp, Shanghai 200030, Peoples R China. [Gullberg, Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY PY 2014 VL 55 SU 1 MA 153 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CR6FA UT WOS:000361438100154 ER PT J AU Orellana, LH Rodriguez-R, LM Higgins, S Chee-Sanford, JC Sanford, RA Ritalahti, KM Loffler, FE Konstantinidis, KT AF Orellana, L. H. Rodriguez-R, L. M. Higgins, S. Chee-Sanford, J. C. Sanford, R. A. Ritalahti, K. M. Loeffler, F. E. Konstantinidis, K. T. TI Detecting Nitrous Oxide Reductase (nosZ) Genes in Soil Metagenomes: Method Development and Implications for the Nitrogen Cycle SO MBIO LA English DT Article ID MICROBIAL COMMUNITY; WOLINELLA-SUCCINOGENES; DENITRIFICATION; SEQUENCES; CLASSIFICATION; EMISSIONS; ABUNDANCE; SEDIMENTS; CLUSTER; NITRATE AB Microbial activities in soils, such as (incomplete) denitrification, represent major sources of nitrous oxide (N2O), a potent greenhouse gas. The key enzyme for mitigating N2O emissions is NosZ, which catalyzes N2O reduction to N-2. We recently described "atypical" functional NosZ proteins encoded by both denitrifiers and nondenitrifiers, which were missed in previous environmental surveys (R. A. Sanford et al., Proc. Natl. Acad. Sci. U. S. A. 109:19709-19714, 2012, doi:10.1073/pnas.1211238109). Here, we analyzed the abundance and diversity of both nosZ types in whole-genome shotgun metagenomes from sandy and silty loam agricultural soils that typify the U. S. Midwest corn belt. First, different search algorithms and parameters for detecting nosZ metagenomic reads were evaluated based on in silico-generated (mock) metagenomes. Using the derived cutoffs, 71 distinct alleles (95% amino acid identity level) encoding typical or atypical NosZ proteins were detected in both soil types. Remarkably, more than 70% of the total nosZ reads in both soils were classified as atypical, emphasizing that prior surveys underestimated nosZ abundance. Approximately 15% of the total nosZ reads were taxonomically related to Anaeromyxobacter, which was the most abundant genus encoding atypical NosZ-type proteins in both soil types. Further analyses revealed that atypical nosZ genes outnumbered typical nosZ genes in most publicly available soil metagenomes, underscoring their potential role in mediating N2O consumption in soils. Therefore, this study provides a bioinformatics strategy to reliably detect target genes in complex short-read metagenomes and suggests that the analysis of both typical and atypical nosZ sequences is required to understand and predict N2O flux in soils. IMPORTANCE Nitrous oxide (N2O) is a potent greenhouse gas with ozone layer destruction potential. Microbial activities control both the production and the consumption of N2O, i.e., its conversion to innocuous dinitrogen gas (N-2). Until recently, consumption of N2O was attributed to bacteria encoding "typical" nitrous oxide reductase (NosZ). However, recent phylogenetic and physiological studies have shown that previously uncharacterized, functional, "atypical" NosZ proteins are encoded in genomes of diverse bacterial groups. The present study revealed that atypical nosZ genes outnumbered their typical counterparts, highlighting their potential role in N2O consumption in soils and possibly other environments. These findings advance our understanding of the diversity of microbes and functional genes involved in the nitrogen cycle and provide the means (e. g., gene sequences) to study N2O fluxes to the atmosphere and associated climate change. C1 [Orellana, L. H.; Konstantinidis, K. T.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Rodriguez-R, L. M.; Konstantinidis, K. T.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Higgins, S.; Ritalahti, K. M.; Loeffler, F. E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Chee-Sanford, J. C.] ARS, Dept Agr, Urbana, IL USA. [Sanford, R. A.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Ritalahti, K. M.; Loeffler, F. E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Ritalahti, K. M.; Loeffler, F. E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. RP Konstantinidis, KT (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. EM kostas@ce.gatech.edu OI Higgins, Steven/0000-0002-5209-5000; Rodriguez-R, Luis M/0000-0001-7603-3093 FU U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program [DE-SC0006662]; Chilean Fulbright-Conicyt doctoral scholarship FX This research was supported by the U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program (award DE-SC0006662). L.H.O. was supported by a Chilean Fulbright-Conicyt doctoral scholarship. NR 40 TC 19 Z9 19 U1 11 U2 26 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2014 VL 5 IS 3 AR e01193-14 DI 10.1128/mBio.01193-14 PG 8 WC Microbiology SC Microbiology GA AL1HH UT WOS:000338875900051 PM 24895307 ER PT J AU Seshadhri, C Vondrak, J AF Seshadhri, C. Vondrak, Jan TI Is Submodularity Testable? SO ALGORITHMICA LA English DT Article DE Property testing; Sublinear algorithms; Submodular functions ID SET FUNCTIONS; APPROXIMATIONS; COMPLEXITY AB We initiate the study of property testing of submodularity on the boolean hypercube. Submodular functions come up in a variety of applications in combinatorial optimization. For a vast range of algorithms, the existence of an oracle to a submodular function is assumed. But how does one check if this oracle indeed represents a submodular function? Consider a function f:{0,1} (n) -> a"e. The distance to submodularity is the minimum fraction of values of f that need to be modified to make f submodular. If this distance is more than I mu > 0, then we say that f is I mu-far from being submodular. The aim is to have an efficient procedure that, given input f that is I mu-far from being submodular, certifies that f is not submodular. We analyze a natural tester for this problem, and prove that it runs in subexponential time. This gives the first non-trivial tester for submodularity. On the other hand, we prove an interesting lower bound (that is, unfortunately, quite far from the upper bound) suggesting that this tester cannot be efficient in terms of I mu. This involves non-trivial examples of functions which are far from submodular and yet do not exhibit too many local violations. We also provide some constructions indicating the difficulty in designing a tester for submodularity. We construct a partial function defined on exponentially many points that cannot be extended to a submodular function, but any strict subset of these values can be extended to a submodular function. C1 [Seshadhri, C.] Sandia Natl Labs, Livermore, CA 94550 USA. [Vondrak, Jan] IBM Almaden Res Ctr, San Jose, CA USA. RP Seshadhri, C (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM scomand@sandia.gov; jvondrak@us.ibm.com FU United States Department of Energy; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the applied mathematics program at the United States Department of Energy and performed at Sandia National Laboratories, a multiprogram laboratory 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 28 TC 3 Z9 3 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-4617 EI 1432-0541 J9 ALGORITHMICA JI Algorithmica PD MAY PY 2014 VL 69 IS 1 BP 1 EP 25 DI 10.1007/s00453-012-9719-2 PG 25 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA AC5TF UT WOS:000332582900001 ER PT J AU Kong, T Cunningham, CE Taufour, V Bud'ko, SL Buffon, MLC Lin, X Emmons, H Canfield, PC AF Kong, Tai Cunningham, Charles E. Taufour, Valentin Bud'ko, Sergey L. Buffon, Malinda L. C. Lin, Xiao Emmons, Heather Canfield, Paul C. TI Thermodynamic and transport properties of single crystalline RCo2Ge2 (R,Y, La-Nd, Sm-Tm) SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Rare-earth compound; Single crystal; Magnetization; Resistivity; Specific heat; Metamagnetic transition ID MAGNETIC PHASE-DIAGRAM; EARTH RHODIUM BORIDES; NEUTRON-DIFFRACTION; ANISOTROPIC MAGNETIZATION; GADOLINIUM COMPOUNDS; FIELD; HEAT; TBCO2GE2; SUSCEPTIBILITY; TEMPERATURE AB Single crystals of RCO2Ge2 (R=Y, La-Nd, Sm-Tm) were grown using a self flux method and were characterized by room temperature powder X-ray diffraction; anisotropic, temperature and field dependent magnetization; temperature and field dependent, in plane resistivity; and specific heat measurements. In this series, the majority of the moment bearing members order antiferromagnetically; YCO2Ge2 and LaCo2Ge2 are non-moment-bearing. Ce is trivalent in CeCo2Ge2 at high temperatures, and exhibits an enhanced electronic specific heat coefficient due to the Kondo effect at low temperatures. In addition, CeCo2Ge2 shows two low temperature anomalies in temperature dependent magnetization and specific heat measurements. Three members (R=Tb-Ho) have multiple phase transitions above 1.8 K. Eu appears to be divalent with total angular momentum L=0. Both EuCo2Ge2 and GclCo(2)Ge(2) manifest essentially isotropic paramagnetic properties consistent with J=S=7/12. Clear magnetic anisotropy for rare-earth members with finite L was observed, with ErCo2Ge2 and TrnCo(2)Ge(2) manifesting planar anisotropy and the rest members manifesting axial anisotropy. The experimentally estimated crystal electric field (CU) parameters.89 were calculated from the anisotropic paramagnetic 0,a, and 0, values and follow a trend that agrees well with theoretical predictions. The ordering temperatures, TN, as well as the polycrystalline averaged paramagnetic Curie-Weiss temperature, for the heavy rareearth members deviate from the de Gennes scaling, as the magnitude of both is the highest for Tb, which is sometimes seen for extremely axial systems. Except for SmCo2Ge2, metamagnetic transitions were observed at 1.8 K for all members that ordered antiferromagnetically. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kong, Tai; Taufour, Valentin; Bud'ko, Sergey L.; Lin, Xiao; Canfield, Paul C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kong, Tai; Bud'ko, Sergey L.; Buffon, Malinda L. C.; Lin, Xiao; Canfield, Paul C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Cunningham, Charles E.; Emmons, Heather] Grinnell Coll, Dept Phys, Grinnell, IA 50112 USA. RP Kong, T (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM taikong@iastate.edu; canfield@ameslab.gov RI Canfield, Paul/H-2698-2014; OI Kong, Tai/0000-0002-5064-3464 FU US Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-ACO2-07CH11358]; AFOSR-MURI [FA9550-09-1-0603] FX We would like to thank W. Jayasekara, H. Hodovanets, A. Thaler and Greg Dyer for useful discussions and experimental assistances. We would also like to thank A. Kreyssig for not only providing general discussion, but also providing key understanding about the existing TmCo2Ge2 scattering data and analysis. Work done at Ames Laboratory was supported by US Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract no. DE-ACO2-07CH11358. V.T. and X.L. would like to acknowledge support from AFOSR-MURI Grant no. FA9550-09-1-0603. NR 60 TC 6 Z9 6 U1 6 U2 41 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 MAY PY 2014 VL 358 BP 212 EP 227 DI 10.1016/j.jmmm.2014.01.072 PG 16 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA AC3CV UT WOS:000332393500036 ER PT J AU Chandola, V Mithal, V Kumar, V AF Chandola, Varun Mithal, Varun Kumar, Vipin TI A reference based analysis framework for understanding anomaly detection techniques for symbolic sequences SO DATA MINING AND KNOWLEDGE DISCOVERY LA English DT Article DE Sequences; Anomaly detection; Data mining; Reference based analysis AB Anomaly detection for symbolic sequence data is a highly important area of research and is relevant in many application domains. While several techniques have been proposed within different domains, understanding of their relative strengths and weaknesses is limited. The key factor for this is that the nature of sequence data varies significantly across domains, and hence while a technique might perform well in its original domain, its performance is not guaranteed in a different domain. In this paper, we aim at establishing this understanding for a wide variety of anomaly detection techniques for symbolic sequences. We present a comparative evaluation of a large number of anomaly detection techniques on a variety of publicly available as well as artificially generated data sets. Many of these are existing techniques while some are slight variants and/or adaptations of traditional anomaly detection techniques to sequence data. The analysis presented in this paper allows relative comparison of the different anomaly detection techniques and highlights their strengths and weaknesses. We extend the reference based analysis (RBA) framework, which was originally proposed to analyze multivariate categorical data, to analyze symbolic sequence data sets. We visualize the symbolic sequences using the characteristics provided by the RBA framework and use the visualization to understand various aspects of the sequence data. We then use the characterization done by RBA to understand the performance of the different techniques. Using the RBA framework, we propose two anomaly detection techniques for symbolic sequences, which show consistently superior performance over the existing techniques across the different data sets. C1 [Chandola, Varun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Mithal, Varun; Kumar, Vipin] Univ Minnesota, Dept Comp Sci, Minneapolis, MN 55455 USA. RP Chandola, V (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chandolav@ornl.gov; vmithal@cs.umn.edu; kumar@cs.umn.edu FU NASA [NNX08AC36A]; NSF [CNS-0551551, IIS-0713227] FX This work was supported by NASA under award NNX08AC36A, NSF Grant CNS-0551551 and NSF Grant IIS-0713227. Access to computing facilities was provided by the Digital Technology Consortium. NR 30 TC 1 Z9 1 U1 0 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1384-5810 EI 1573-756X J9 DATA MIN KNOWL DISC JI Data Min. Knowl. Discov. PD MAY PY 2014 VL 28 IS 3 BP 702 EP 735 DI 10.1007/s10618-013-0315-0 PG 34 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems SC Computer Science GA AB2ON UT WOS:000331632100005 ER PT J AU Baled, HO Xing, DZ Katz, H Tapriyal, D Gamwo, IK Soong, Y Bamgbade, BA Wu, Y Liu, K McHugh, MA Enick, RM AF Baled, Hseen O. Xing, Dazun Katz, Harrison Tapriyal, Deepak Gamwo, Isaac K. Soong, Yee Bamgbade, Babatunde A. Wu, Yue Liu, Kun McHugh, Mark A. Enick, Robert M. TI Viscosity of n-hexadecane, n-octadecane and n-eicosane at pressures up to 243 MPa and temperatures up to 534 K SO JOURNAL OF CHEMICAL THERMODYNAMICS LA English DT Article DE Hexadecane; Octadecane; Eicosane; High pressure; Rolling-ball viscometer; Viscosity ID EQUATION-OF-STATE; DENSITY-MEASUREMENTS; LIQUID HYDROCARBONS; PHASE-EQUILIBRIA; ALKANE MIXTURES; PERFLUOROPOLYETHER; TETRADECANE; CYCLOHEXANE; PREDICTION; DIFFUSION AB Viscosity data are reported for n-hexadecane (C16), n-octadecane (C18), and n-eicosane (C20) at pressures between (3 and 243) MPa and temperatures between (304 and 534) K. These extreme conditions are representative of those encountered in ultra-deep petroleum formations beneath the deepwaters of the Gulf of Mexico. The measurements are taken with a novel windowed Inconel rolling-ball viscometer designed by our team that is calibrated with n-decane. A comparison of the reported viscosity values with the available literature data that cover limited pressure and temperature ranges, shows that the mean absolute percentage deviation, delta, ranges between 1.1% and 4.8%. The reported data extend the database of viscosity to the high-temperature, high-pressure region where most gaps occur in the literature data for n-hexadecane and n-octadecane. To the best of our knowledge, the results for n-eicosane are the first reported viscosity values at pressures above 2 MPa over the entire temperature range. The viscosity results are modeled with the free volume theory model in conjunction with density values obtained using the Peng-Robinson equation of state (EoS) and the PC-SAFT EoS. The delta values obtained with this model range from 2.0% to 3.5%. The data are also correlated by a non-linear surface fit as a simultaneous function of temperature and pressure that yields delta values of 0.40%, 0.43%, and 0.38% for C16, C18, and C20, respectively. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Baled, Hseen O.; Xing, Dazun; Tapriyal, Deepak; Gamwo, Isaac K.; Soong, Yee; Bamgbade, Babatunde A.; Wu, Yue; McHugh, Mark A.; Enick, Robert M.] Off Res & Dev, Dept Energy, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Baled, Hseen O.; Xing, Dazun; Katz, Harrison; Enick, Robert M.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Tapriyal, Deepak] NETL Site Support Contractor, URS, Pittsburgh, PA 15236 USA. [Bamgbade, Babatunde A.; Wu, Yue; Liu, Kun; McHugh, Mark A.] Virginia Commonwealth Univ, Dept Chem & Life Sci Engn, Richmond, VA 23284 USA. RP Baled, HO (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, 1249 Benedum Engn Hall,3700 OHara St, Pittsburgh, PA 15261 USA. EM hob9@pitt.edu FU Strategic Center for Natural Gas and Oil under RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory's Office of Research and Development support of the Strategic Center for Natural Gas and Oil under RES contract DE-FE0004000. NR 37 TC 5 Z9 5 U1 6 U2 48 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0021-9614 EI 1096-3626 J9 J CHEM THERMODYN JI J. Chem. Thermodyn. PD MAY PY 2014 VL 72 BP 108 EP 116 DI 10.1016/j.jct.2014.01.008 PG 9 WC Thermodynamics; Chemistry, Physical SC Thermodynamics; Chemistry GA AB4AI UT WOS:000331730900017 ER PT J AU Yeddu, HK Lookman, T Saxena, A AF Yeddu, Hemantha Kumar Lookman, Turab Saxena, Avadh TI Reverse phase transformation of martensite to austenite in stainless steels: a 3D phase-field study SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID MICROSTRUCTURE EVOLUTION; PLASTIC-ACCOMMODATION; MECHANICAL-PROPERTIES; LATH MARTENSITE; STRAIN; MODEL; SIMULATION; STRENGTH; ALLOY; CRYSTALLOGRAPHY AB The martensitic transformation of austenite as well as the reversion of martensite to austenite has been reported to significantly improve mechanical properties of steels. In the present work, three dimensional (3D) elastoplastic phase-field simulations are performed to study the kinetics of martensite reversion in stainless steels at different annealing temperatures. The input simulation data are acquired from different sources, such as CALPHAD, ab initio calculations, and experiments. The results show that the reversion occurs both at the lath boundaries as well as within the martensitic laths, which is in good agreement with the experimental observations. The reversion that occurs within the laths leads to splitting of a single martensite lath into two laths, separated by austenite. The results indicate that the reversed austenite retains a large extent of plasticity inherited from martensite. C1 [Yeddu, Hemantha Kumar; Lookman, Turab; Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Yeddu, HK (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM hemu23@gmail.com FU U.S. Department of Energy FX The authors would like to thank Dr. Minh Do Quang at KTH Royal Institute of Technology for his help with the femLego software. This work was supported by the U.S. Department of Energy. NR 66 TC 4 Z9 4 U1 1 U2 37 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD MAY PY 2014 VL 49 IS 10 BP 3642 EP 3651 DI 10.1007/s10853-014-8067-9 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA AB8ES UT WOS:000332023500007 ER PT J AU Gong, S VanEvery, K Wang, H Trice, RW AF Gong, Stephanie VanEvery, Kent Wang, Hsin Trice, Rodney W. TI Microstructure and thermal properties of inflight rare-earth doped thermal barriers prepared by suspension plasma spray SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Thermal barrier coatings; Suspension plasma spray; Rare-earth oxides ID PHASE-STABILITY; EB-PVD; COATINGS; CONDUCTIVITY; ZIRCONIA; EVOLUTION; BOUNDARY; DEPOSITS; POROSITY; SYSTEMS AB Rare-earth doped yttria-stabilized zirconia (YSZ) coatings with lower thermal conductivity have been fabricated via suspension plasma spray by dissolving rare-earth nitrates into YSZ powder-ethanol suspensions prior to plasma spraying. The effect of dopant concentration and dopant type on properties of the coatings was determined by comparing two coatings containing different concentrations of the same dopant pair (Nd2O3/Yb2O3), and three coatings having similar concentrations of different dopant pairs (Nd2O3/Yb2O3, Nd2O3/Gd2O3, and Gd2O3/Yb2O3). The porosity content of the coating was found to increase with increased total rare-earth dopant concentration but did not significantly change with dopant pairs. The cross-sectional morphology of every coating displayed a cauliflower-like structure. However, the most heavily doped coating exhibited a larger surface roughness and feathery features in the columnar structures. The thermal conductivity measurement showed that the thermal conductivity decreased with increased Nd2O3/Yb2O3 concentration. Among coatings containing different dopant pairs, the Gd2O3/Yb2O3 doped coating exhibited lowest conductivity. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Gong, Stephanie; Trice, Rodney W.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [VanEvery, Kent] Progress Surface, Grand Rapids, MI 49512 USA. [Wang, Hsin] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Trice, RW (reprint author), Purdue Univ, Sch Mat Engn, Neil Armstrong Hall Engn,701 West Stadium Ave, W Lafayette, IN 47907 USA. EM rtrice@purdue.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU National Science Foundation [CMMI-0853297]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program FX This work was made possible by the National Science Foundation Grant CMMI-0853297 and the support of program manager Mary Toney. The authors would like to thank Todd Snyder from Progressive Surface, MI for his help to fabricate the coatings. Part of this research was conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 44 TC 4 Z9 5 U1 2 U2 41 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 EI 1873-619X J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD MAY PY 2014 VL 34 IS 5 BP 1243 EP 1253 DI 10.1016/j.jeurceramsoc.2013.11.016 PG 11 WC Materials Science, Ceramics SC Materials Science GA AA8JD UT WOS:000331340900024 ER PT J AU Bender, G Felt, W Ulsh, M AF Bender, Guido Felt, Wyatt Ulsh, Michael TI Detecting and localizing failure points in proton exchange membrane fuel cells using IR thermography SO JOURNAL OF POWER SOURCES LA English DT Article DE Fuel cell; PEMFC; Durability; Thermography; Failure; Accelerated stress test ID POLYMER-ELECTROLYTE-MEMBRANE; OPEN-CIRCUIT VOLTAGE; NAFION(R) MEMBRANES; SITU DIAGNOSIS; DEGRADATION; DURABILITY; STACK; PEMFC AB An understanding of the potentially serious long-term performance degradation effects that coating and/or other fabrication irregularities might have in mass produced proton exchange membrane fuel cells (PEMFC) is essential to determine manufacturing tolerances of fuel cell components. An experimental setup and methodology is described that employs accelerated stress tests (ASTs) and IR thermography to accurately determine the location and severity of developing failure points in PEMFCs. The method entails a novel hardware that allows the spatial observation of a hydrogen crossover experiment within a fuel cell hardware. The application of the method is demonstrated by comparing the effects of an AST on pristine as well as defect-containing MEAs. The presented method is shown to be valuable for determining the areas within a fuel cell that are most stressed by aging processes. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bender, Guido; Felt, Wyatt; Ulsh, Michael] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bender, G (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM guido.bender@nrel.gov OI Felt, Wyatt/0000-0003-3968-1889 FU U.S. Department of Energy [DE-AC36-08-GO28308] FX We gratefully acknowledge the U.S. Department of Energy under subcontract number DE-AC36-08-GO28308 for funding this work. We would also like to acknowledge M. Yandrasits and G. Haugen from 3M for fruitful discussions on IR based in-situ fuel cell diagnostics, and R. Mukundan from Los Alamos National Laboratory for advice on AST related topics. NR 21 TC 8 Z9 8 U1 2 U2 29 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 1 PY 2014 VL 253 BP 224 EP 229 DI 10.1016/j.jpowsour.2013.12.045 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AA5SO UT WOS:000331160100029 ER PT J AU Zeng, ZD Liu, N Zeng, QS Ding, Y Qu, SX Cui, Y Mao, WL AF Zeng, Zhidan Liu, Nian Zeng, Qiaoshi Ding, Yang Qu, Shaoxing Cui, Yi Mao, Wendy L. TI Elastic moduli of polycrystalline Li15Si4 produced in lithium ion batteries (vol 242, pg 732, 2013) SO JOURNAL OF POWER SOURCES LA English DT Correction C1 [Zeng, Zhidan; Qu, Shaoxing] Zhejiang Univ, Sch Aeronaut & Astronaut, Inst Appl Mech, Hangzhou 310027, Peoples R China. [Zeng, Zhidan; Zeng, Qiaoshi; Mao, Wendy L.] Stanford Univ, Stanford, CA 94305 USA. [Zeng, Zhidan; Zeng, Qiaoshi; Cui, Yi; Mao, Wendy L.] SLAC Natl Accelerator Lab, Photon Sci & Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Liu, Nian] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Ding, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. RP Mao, WL (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM zhidanzeng@zju.edu.cn; yicui@stanford.edu; wmao@stanford.edu RI Ding, Yang/K-1995-2014 OI Ding, Yang/0000-0002-8845-4618 NR 1 TC 0 Z9 0 U1 0 U2 18 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 1 PY 2014 VL 253 BP 431 EP 431 DI 10.1016/j.jpowsour.2013.12.052 PG 1 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AA5SO UT WOS:000331160100056 ER PT J AU Mudholkar, M Ahmed, S Ericson, MN Frank, SS Britton, CL Mantooth, HA AF Mudholkar, Mihir Ahmed, Shamim Ericson, M. Nance Frank, S. Shane Britton, Charles L., Jr. Mantooth, H. Alan TI Datasheet Driven Silicon Carbide Power MOSFET Model SO IEEE TRANSACTIONS ON POWER ELECTRONICS LA English DT Article DE Device characterization; device modeling; device simulation; MOSFET; silicon carbide (SiC) ID INVERTER; MODULE AB A compact model for SiC Power MOSFETs is presented. The model features a physical description of the channel current and internal capacitances and has been validated for dc, CV, and switching characteristics with measured data from a 1200-V, 20-A SiC power MOSFET in a temperature range of 25 degrees C to 225 degrees C. The peculiar variation of on-state resistance with temperature for SiC power MOSFETs has also been demonstrated through measurements and accounted for in the developed model. In order to improve the user experience with the model, a new datasheet driven parameter extraction strategy has been presented which requires only data available in device datasheets, to enable quick parameter extraction for off-the-shelf devices. Excellent agreement is shown between measurement and simulation using the presented model over the entire temperature range. C1 [Mudholkar, Mihir] ON Semicond, Standard Prod Grp, Phoenix, AZ 85008 USA. [Ahmed, Shamim; Mantooth, H. Alan] Univ Arkansas, Fayetteville, AR 72701 USA. [Ericson, M. Nance; Frank, S. Shane; Britton, Charles L., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Mudholkar, M (reprint author), ON Semicond, Standard Prod Grp, Phoenix, AZ 85008 USA. EM mihir.mudholkar@gmail.com; sxa031@uark.edu; ericsonmn@ornl.gov; frankss@ornl.gov; brittoncl@ornl.gov; mantooth@uark.edu RI Ericson, Milton/H-9880-2016 OI Ericson, Milton/0000-0002-6628-4865 FU Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy [DE-AR-0000111] FX Manuscript received February 13, 2013; revised April 24, 2013 and June 25, 2013; accepted June 28, 2013. Date of current version January 10, 2014. This paper was presented at IEEE EPE Conference, 2011. This work was supported in part by the Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR-0000111. Recommended for publication by Associate Editor C. M. Zetterling. NR 13 TC 18 Z9 20 U1 0 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8993 EI 1941-0107 J9 IEEE T POWER ELECTR JI IEEE Trans. Power Electron. PD MAY PY 2014 VL 29 IS 5 SI SI BP 2220 EP 2228 DI 10.1109/TPEL.2013.2295774 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA 293RN UT WOS:000329991500009 ER EF