FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Carretero-Genevrier, A Gazquez, J Magen, C Varela, M Ferain, E Puig, T Mestres, N Obradors, X AF Carretero-Genevrier, Adrian Gazquez, Jaume Magen, Cesar Varela, Maria Ferain, Etienne Puig, Teresa Mestres, Narcis Obradors, Xavier TI Chemical synthesis of oriented ferromagnetic LaSr-2 x 4 manganese oxide molecular sieve nanowires SO CHEMICAL COMMUNICATIONS LA English DT Article ID GROWTH; MULTIFERROICS; FILMS AB We report a chemical solution based method using nanoporous track-etched polymer templates for producing long and oriented LaSr-2 x 4 manganese oxide molecular sieve nanowires. Scanning transmission electron microscopy and electron energy loss spectroscopy analyses show that the nanowires are ferromagnetic at room temperature, single crystalline, epitaxially grown and self-aligned. C1 [Carretero-Genevrier, Adrian; Puig, Teresa; Mestres, Narcis; Obradors, Xavier] CSIC, Inst Ciencia Mat Barcelona ICMAB, Bellaterra 08193, Catalonia, Spain. [Gazquez, Jaume; Varela, Maria] Univ Complutense Madrid, Dept Fis Aplicada 3, E-28040 Madrid, Spain. [Gazquez, Jaume; Varela, Maria] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Magen, Cesar] Univ Zaragoza, Inst Nanociencia Aragon INA ARAID, Lab Microscopi Avanzadas LMA, Zaragoza 50018, Spain. [Ferain, Etienne] Catholic Univ Louvain, Inst Condensed Matter & Nanosci Bio & Soft Matter, B-1348 Louvain, Belgium. [Ferain, Etienne] It4ip SA, B-7180 Seneffe, Belgium. RP Mestres, N (reprint author), CSIC, Inst Ciencia Mat Barcelona ICMAB, Campus UAB, Bellaterra 08193, Catalonia, Spain. EM narcis.mestres@icmab.es RI Obradors, Xavier/A-8146-2012; Varela, Maria/H-2648-2012; Magen, Cesar/A-2825-2013; Mestres, Narcis/B-5305-2013; Gazquez, Jaume/C-5334-2012; Varela, Maria/E-2472-2014; Puig, Teresa/O-1077-2013; OI Mestres, Narcis/0000-0001-6468-4227; Gazquez, Jaume/0000-0002-2561-328X; Varela, Maria/0000-0002-6582-7004; Puig, Teresa/0000-0002-1873-0488; CARRETERO-GENEVRIER, Adrien/0000-0003-0488-9452 FU MICINN [MAT2008-01022, Consolider NANOSELECT CSD 2007-00042, FPI]; EU [HIPERCHEM, NMP4-CT2005-516858]; Generalitat de Catalunya [SGR 770, XaRMAE]; Office of Science, Materials Sciences and Engineering Division of the US Department of Energy; ERC [239739 STEMOX] FX We acknowledge the financial support from MICINN (MAT2008-01022, Consolider NANOSELECT CSD 2007-00042, and FPI), EU (HIPERCHEM, NMP4-CT2005-516858) and Generalitat de Catalunya (SGR 770 and XaRMAE). Work at ORNL was supported by the Office of Science, Materials Sciences and Engineering Division of the US Department of Energy (M. V.). J.G. is thankful for financial support from the ERC, grant #239739 STEMOX. NR 20 TC 7 Z9 7 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 50 BP 6223 EP 6225 DI 10.1039/c2cc31367g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 948EQ UT WOS:000304486800004 PM 22576968 ER PT J AU Zeng, WQ Barabanschikov, A Wang, NY Lu, Y Zhao, JY Sturhahn, W Alp, EE Sage, JT AF Zeng, Weiqiao Barabanschikov, Alexander Wang, Ningyan Lu, Yi Zhao, Jiyong Sturhahn, Wolfgang Alp, E. Ercan Sage, J. Timothy TI Vibrational dynamics of oxygenated heme proteins SO CHEMICAL COMMUNICATIONS LA English DT Article ID MYOGLOBIN; OXIDASE; COPPER; SPECTROSCOPY AB Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen. C1 [Zeng, Weiqiao; Barabanschikov, Alexander; Sage, J. Timothy] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Zeng, Weiqiao; Barabanschikov, Alexander; Sage, J. Timothy] Northeastern Univ, Ctr Interdisciplinary Res Complex Syst, Boston, MA 02115 USA. [Wang, Ningyan; Lu, Yi] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Zhao, Jiyong; Sturhahn, Wolfgang; Alp, E. Ercan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Sage, JT (reprint author), Northeastern Univ, Dept Phys, Boston, MA 02115 USA. EM jtsage@neu.edu RI Zeng, Weiqiao/F-7628-2013; Barabanschikov, Alexander/L-3048-2013; Lu, Yi/B-5461-2010 OI Zeng, Weiqiao/0000-0002-0577-932X; Lu, Yi/0000-0003-1221-6709 FU National Science Foundation [CHE-1026369]; National Institutes of Health [GM-062211]; U.S. Department of Energy, Basic Energy Sciences, Office of Science [DEAC02-06CH11357] FX We acknowledge financial support from the National Science Foundation (CHE-1026369) and the National Institutes of Health (GM-062211), and thank I. Petrik for helpful comments. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DEAC02-06CH11357. NR 18 TC 4 Z9 4 U1 2 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 51 BP 6340 EP 6342 DI 10.1039/c2cc31239e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 949VY UT WOS:000304605700003 ER PT S AU Arbanas, G Bertulani, CA Dean, DJ Kerman, AK Roche, KJ AF Arbanas, G. Bertulani, C. A. Dean, D. J. Kerman, A. K. Roche, K. J. BE Krticka, M Becvar, F Kroll, J TI Extending the Kawai-Kerman-McVoy Statistical Theory of Nuclear Reactions to Intermediate Structure via Doorways SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC AB Kawai, Kerman, and McVoy have shown that a statistical treatment of many open channels that are coupled by direct reactions leads to modifications of the Hauser-Feshbach expression for energy-averaged cross section [Ann. of Phys. 75, 156 (1973)]. The energy averaging interval for this cross section is on the order of the width of single particle resonances, approximate to 1 MeV, revealing only a gross structure in the cross section. When the energy-averaging interval is decreased down to a width of a doorway state, approximate to 0 : 1 MeV, a so-called intermediate structure may be observed in cross sections. We extend the Kawai-Kerman-McVoy theory into the intermediate structure by leveraging a theory of doorway states developed by Feshbach, Kerman, and Lemmer [Ann. of Phys. 41, 230 (1967)]. As a by-product of the extension, an alternative derivation of the central result of the Kawai-Kerman-McVoy theory is suggested. We quantify the effect of the approximations used in derivation by performing numerical computations for a large set of compound nuclear states. C1 [Arbanas, G.; Dean, D. J.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. [Bertulani, C. A.] Texas A&M Univ, Commerce, TX 75429 USA. [Kerman, A. K.] MIT, Cambridge, MA 02139 USA. [Kerman, A. K.] Univ Tennessee, Knoxville, TN USA. [Roche, K. J.] Univ Washington, Pacif NW Natl Lab, Seattle, WA 98195 USA. RP Arbanas, G (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM arbanasg@ornl.gov OI Dean, David/0000-0002-5688-703X FU U.S. Department of Energy (DOE) [DE-FC02-09ER41583] FX This work was supported by the U.S. Department of Energy (DOE) under Contract No. DE-FC02- 09ER41583 (UNEDF SciDAC Collaboration). NR 7 TC 1 Z9 1 U1 0 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 07002 DI 10.1051/epjconf/20122107002 PG 7 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300026 ER PT S AU Baramsai, B Mitchell, GE Walker, CL Bredeweg, TA Couture, A Haight, RC Jandel, M O'Donnell, JM Rundberg, RS Ullmann, J Vieira, DJ Agvaanluvsan, U Dashdorj, D Tseren, T Becvar, F Krticka, M AF Baramsai, B. Mitchell, G. E. Walker, C. L. Bredeweg, T. A. Couture, A. Haight, R. C. Jandel, M. O'Donnell, J. M. Rundberg, R. S. Ullmann, J. Vieira, D. J. Agvaanluvsan, U. Dashdorj, D. Tseren, T. Becvar, F. Krticka, M. BE Krticka, M Becvar, F Kroll, J TI Neutron capture experiments with 4 pi DANCE Calorimeter SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC AB In recent years we have performed a series of neutron capture experiments with the DANCE detector array located at the Los Alamos Neutron Science Center. The radiative decay spectrum from the compound nucleus contains important information about nuclear structure and the reaction mechanism. The primary goals of the measurements are to obtain improved capture cross sections, to determine properties of the photon strength function, to improve neutron level densities and strength functions by determining the spin and parity of the capturing states. We shall present examples of our recent results. C1 [Baramsai, B.; Mitchell, G. E.; Walker, C. L.] N Carolina State Univ, Raleigh, NC 27695 USA. [Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J.; Vieira, D. J.] Los Alamos Natl Lab, Los Alamos, NM USA. [Dashdorj, D.; Tseren, T.] MonAme Sci Res Ctr, Ulanbatar, Mongol Peo Rep. [Becvar, F.; Krticka, M.] Charles Univ Prague, Prague, Czech Republic. RP Baramsai, B (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA. EM bbarams@ncsu.edu FU US DOE [DE-FG52-06NA29460, DE-FG02-97-ER41402, DE-AC52-07NA27344, DE-AC52-06NA25396] FX This work was supported in part by US DOE grants Nos. DE-FG52-06NA29460 and DE-FG02-97-ER41402 and performed under the auspices of the U.S. DOE under contracts Nos. DE-AC52-07NA27344 and DE-AC52-06NA25396. NR 9 TC 0 Z9 0 U1 1 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 03002 DI 10.1051/epjconf/20122103002 PG 6 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300008 ER PT S AU Bouland, O Lynn, JE Talou, P AF Bouland, Olivier Lynn, J. Eric Talou, Patrick BE Krticka, M Becvar, F Kroll, J TI Analysis of the (n,f) Reaction in the Plutonium Isotopes SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID NUCLEAR-SCIENCE; FISSION; LIBRARY; BARRIER AB This paper describes the modified Hauser-Feshbach formalism used to compute accurately fission cross sections for low-energy neutrons (from a few keV up to 5.5 MeV) in presence of intermediate structure in the second well. Application to the large plutonium isotope family (236 to 244) has been made with in particular reliable predictions of the cross sections of the short-lived nuclides. Special attention is paid to the choice of the model parameters entering in the calculations. C1 [Bouland, Olivier] SPRC, DER, DEN, Phys Studies Lab,CEA, F-13108 Cadarache, Saint Paul Lez, France. [Lynn, J. Eric; Talou, Patrick] Los Alamos Natl Lab, T 2 Nucl Theory, Los Alamos, NM 87545 USA. RP Bouland, O (reprint author), SPRC, DER, DEN, Phys Studies Lab,CEA, F-13108 Cadarache, Saint Paul Lez, France. EM olivier.bouland@cea.fr NR 20 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 08004 DI 10.1051/epjconf/20122108004 PG 12 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300033 ER PT S AU Boutoux, G Jurado, B Meot, V Roig, O Aiche, M Mathieu, L Barreau, G Capellan, N Companis, I Czajkowski, S Burke, JT Bauge, E Daugas, JM Faul, T Gaudefroy, L Morel, P Pillet, N Romain, P Taieb, J Theroine, C Derkx, X Serot, O Matea, I Tassan-Got, L Gunsing, F AF Boutoux, G. Jurado, B. Meot, V. Roig, O. Aiche, M. Mathieu, L. Barreau, G. Capellan, N. Companis, I. Czajkowski, S. Burke, J. T. Bauge, E. Daugas, J. M. Faul, T. Gaudefroy, L. Morel, P. Pillet, N. Romain, P. Taieb, J. Theroine, C. Derkx, X. Serot, O. Matea, I. Tassan-Got, L. Gunsing, F. BE Krticka, M Becvar, F Kroll, J TI Neutron-induced cross sections of short-lived nuclei via the surrogate reaction method SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID FISSION AB The measurement of neutron-induced cross sections of short-lived nuclei is extremely difficult due to the radioactivity of the samples. The surrogate reaction method is an indirect way of determining cross sections for nuclear reactions that proceed through a compound nucleus. This method presents the advantage that the target material can be stable or less radioactive than the material required for a neutron-induced measurement. We have successfully used the surrogate reaction method to extract neutron-induced fission cross sections of various short-lived actinides. In this work, we investigate whether this technique can be used to determine neutron-induced capture cross sections in the rare-earth region. C1 [Boutoux, G.; Jurado, B.; Aiche, M.; Mathieu, L.; Barreau, G.; Capellan, N.; Companis, I.; Czajkowski, S.] Univ Bordeaux 1, CNRS, IN2P3, CENBG, Chemin Solarium,BP 120, F-33175 Gradignan, France. [Meot, V.; Roig, O.; Bauge, E.; Daugas, J. M.; Faul, T.; Gaudefroy, L.; Morel, P.; Pillet, N.; Romain, P.; Taieb, J.; Theroine, C.] CEA, DAM, DIF, F-91297 Arpajon, France. [Burke, J. T.] LLNL, Livermore, CA 94550 USA. [Derkx, X.] GANIL, F-14076 Caen, France. [Serot, O.] CEN Cadarache, DEN, DER, SPRC,LEPh, F-13108 St Paul Les Durance, France. [Matea, I.; Tassan-Got, L.] Univ Paris 11, CNRS IN2P3, IPN, F-91405 Orsay, France. [Gunsing, F.] CEA Saclay, DSM, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. RP Boutoux, G (reprint author), Univ Bordeaux 1, CNRS, IN2P3, CENBG, Chemin Solarium,BP 120, F-33175 Gradignan, France. RI Burke, Jason/I-4580-2012 FU CNRS program PACEN/GEDEPEON; EURATOM programs EFNUDAT [FP6-036434]; ANDES (Accurate Nuclear Data for nuclear Energy Sustainability) [FP7-249671] FX We would like to express our gratitude to M.-G. Porquet and the SIDONIE facility of the CSNSM for providing the 174Yb targets. This work is supported by the CNRS program PACEN/GEDEPEON and the EURATOM programs EFNUDAT (European Facilities for Nuclear Data Measurements) contract no FP6-036434 and ANDES (Accurate Nuclear Data for nuclear Energy Sustainability) contract no FP7-249671. NR 16 TC 0 Z9 0 U1 0 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 01002 DI 10.1051/epjconf/20122101002 PG 12 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300002 ER PT S AU Escher, JE Burke, JT Dietrich, FS Ressler, JJ Scielzo, ND Thompson, IJ AF Escher, J. E. Burke, J. T. Dietrich, F. S. Ressler, J. J. Scielzo, N. D. Thompson, I. J. BE Krticka, M Becvar, F Kroll, J TI Neutron-capture cross sections from indirect measurements SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID INPUT AB Cross sections for compound-nuclear reactions reactions play an important role in models of astrophysical environments and simulations of the nuclear fuel cycle. Providing reliable cross section data remains a formidable task, and direct measurements have to be complemented by theoretical predictions and indirect methods. The surrogate nuclear reactions method provides an indirect approach for determining cross sections for reactions on unstable isotopes, which are difficult or impossible to measure otherwise. Current implementations of the method provide useful cross sections for (n,f) reactions, but need to be improved upon for applications to capture reactions. C1 [Escher, J. E.; Burke, J. T.; Dietrich, F. S.; Ressler, J. J.; Scielzo, N. D.; Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Escher, JE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM escher1@llnl.gov RI Escher, Jutta/E-1965-2013; Burke, Jason/I-4580-2012 NR 24 TC 0 Z9 0 U1 2 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 01001 DI 10.1051/epjconf/20122101001 PG 11 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300001 ER PT S AU Firestone, RB AF Firestone, Richard B. BE Krticka, M Becvar, F Kroll, J TI Analysis of statistical model properties from discrete nuclear structure data SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID WIDTHS AB Experimental M1, E1, and E2 photon strengths have been compiled from experimental data in the Evaluated Nuclear Structure Data File (ENSDF) and the Evaluated Gamma-ray Activation File (EGAF). Over 20,000 Weisskopf reduced transition probabilities were recovered from the ENSDF and EGAF databases. These transition strengths have been analyzed for their dependence on transition energies, initial and final level energies, spin/parity dependence, and nuclear deformation. ENSDF BE1W values were found to increase exponentially with energy, possibly consistent with the Axel-Brink hypothesis, although considerable excess strength observed for transitions between 4-8 MeV. No similar energy dependence was observed in EGAF or ARC data. BM1W average values were nearly constant at all energies above 1 MeV with substantial excess strength below 1 MeV and between 4-8 MeV. BE2W values decreased exponentially by a factor of 1000 from 0 to 16 MeV. The distribution of ENSDF transition probabilities for all multipolarities could be described by a lognormal statistical distribution. BE1W, BM1W, and BE2W strengths all increased substantially for initial transition level energies between 4-8 MeV possibly due to dominance of spin-flip and Pygmy resonance transitions at those excitations. Analysis of the average resonance capture data indicated no transition probability dependence on final level spins or energies between 0-3 MeV. The comparison of favored to unfavored transition probabilities for odd-Aorodd-Z targets indicated only partial support for the expected branching intensity ratios with many unfavored transitions having nearly the same strength as favored ones. Average resonance capture BE2W transition strengths generally increased with greater deformation. Analysis of ARC data suggest that there is a large E2 admixture in M1 transitions with the mixing ratio delta approximate to 1:0. The ENSDF reduced transition strengths were considerably stronger than those derived from capture gamma ray data implying that those data are strongly biased by favored, unhindered transitions. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Firestone, RB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rbfirestone@lbl.gov OI Firestone, Richard/0000-0003-3833-5546 NR 13 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 04007 DI 10.1051/epjconf/20122104007 PG 15 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300019 ER PT S AU Hurst, AM Firestone, RB Sleaford, BW Summers, NC Revay, Z Szentmiklosi, L Belgya, T Basunia, MS Capote, R Choi, H Dashdorj, D Escher, J Krticka, M Nichols, A AF Hurst, A. M. Firestone, R. B. Sleaford, B. W. Summers, N. C. Revay, Zs Szentmiklosi, L. Belgya, T. Basunia, M. S. Capote, R. Choi, H. Dashdorj, D. Escher, J. Krticka, M. Nichols, A. BE Krticka, M Becvar, F Kroll, J TI Thermal Neutron Capture onto the Stable Tungsten Isotopes SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC AB Thermal neutron-capture measurements of the stable tungsten isotopes have been carried out using the guided thermal-neutron beam at the Budapest Reactor. Prompt singles spectra were collected and analyzed using the HYPERMET gamma-ray analysis software package for the compound tungsten systems W-183, W-184, and W-187, prepared from isotopically-enriched samples of W-182, W-183, and W-186, respectively. These new data provide both confirmation and new insights into the decay schemes and structure of the tungsten isotopes reported in the Evaluated Gamma-ray Activation File based upon previous elemental analysis. The experimental data have also been compared to Monte Carlo simulations of gamma-ray emission following the thermal neutron-capture process using the statistical-decay code DICEBOX. Together, the experimental cross sections and modeled-feeding contribution from the quasi continuum, have been used to determine the total radiative thermal neutron-capture cross sections for the tungsten isotopes and provide improved decay-scheme information for the structural-and neutron-data libraries. C1 [Hurst, A. M.; Firestone, R. B.; Basunia, M. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sleaford, B. W.; Summers, N. C.; Escher, J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Revay, Zs; Szentmiklosi, L.; Belgya, T.] Inst Isotope & Surface Chem, H-1525 Budapest, Hungary. [Capote, R.; Nichols, A.] IAEA, Nucl Data Sect, NAPC, A-1400 Vienna, Austria. [Choi, H.] Seoul Natl Univ, Seoul 151742, South Korea. [Dashdorj, D.] North Carolina State Univ, Raleigh, NC 27695 USA. [Krticka, M.] Charles Univ Prague, Fac Math & Phys, CZ-18000 Prague 8, Czech Republic. RP Hurst, AM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM AMHurst@lbl.gov RI Escher, Jutta/E-1965-2013; Capote Noy, Roberto/M-1245-2014; Szentmiklosi, Laszlo/F-5362-2015; OI Capote Noy, Roberto/0000-0002-1799-3438; Szentmiklosi, Laszlo/0000-0001-7747-8545; Firestone, Richard/0000-0003-3833-5546 NR 9 TC 1 Z9 1 U1 0 U2 8 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 10005 DI 10.1051/epjconf/20122110005 PG 4 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300048 ER PT S AU Kawano, T Talou, P Chadwick, MB AF Kawano, T. Talou, P. Chadwick, M. B. BE Krticka, M Becvar, F Kroll, J TI Monte Carlo Simulation for Statistical Decay of Compound Nucleus SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID PARTICLE; FORMULA; MODEL AB We perform Monte Carlo simulations for neutron and gamma-ray emissions from a compound nucleus based on the Hauser-Feshbach statistical theory. This Monte Carlo Hauser-Feshbach (MCHF) method calculation, which gives us correlated information between emitted particles and gamma-rays. It will be a powerful tool in many applications, as nuclear reactions can be probed in a more microscopic way. We have been developing the MCHF code, CGM, which solves the Hauser-Feshbach theory with the Monte Carlo method. The code includes all the standard models that used in a standard Hauser-Feshbach code, namely the particle transmission generator, the level density module, interface to the discrete level database, and soon. CGM can emit multiple neutrons, as long as the excitation energy of the compound nucleus is larger than the neutron separation energy. The gamma-ray competition is always included at each compound decay stage, and the angular momentum and parity are conserved. Some calculations for a fission fragment Xe-140 are shown as examples of the MCHF method, and the correlation between the neutron and gamma-ray is discussed. C1 [Kawano, T.; Talou, P.; Chadwick, M. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kawano, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kawano@lanl.gov NR 15 TC 2 Z9 2 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 04001 DI 10.1051/epjconf/20122104001 PG 10 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300013 ER PT S AU Kroll, J Baramsai, B Becker, JA Becvar, F Bredeweg, TA Couture, A Chyzh, A Dashdorj, D Haight, RC Jandel, M Krticka, M Mitchell, GE O'Donnell, JM Parker, W Rundberg, RS Ullmann, JL Vieira, DJ Walker, CL Wilhelmy, JB Wouters, JM Wu, CY AF Kroll, J. Baramsai, B. Becker, J. A. Becvar, F. Bredeweg, T. A. Couture, A. Chyzh, A. Dashdorj, D. Haight, R. C. Jandel, M. Krticka, M. Mitchell, G. E. O'Donnell, J. M. Parker, W. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Walker, C. L. Wilhelmy, J. B. Wouters, J. M. Wu, C. Y. BE Krticka, M Becvar, F Kroll, J TI Scissors Mode in Gd Nuclei SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID ELECTRON-SCATTERING; DEFORMED-NUCLEI; EXCITATION MODE; GAMMA-CASCADES; DANCE ARRAY; CAPTURE; GD-156; STRENGTH; DETECTOR; ER-168 AB Spectra of gamma rays following neutron capture at isolated resonances of 6 stable Gd isotopes were measured with highly segmented BaF2 detector DANCE at the Los Alamos LANSCE spallation neutron source. The main emphasis was put on studying the gamma-cascade decay of neutron resonances to get unique information on photon strength. An analysis of the accumulated gamma-ray spectra within the extreme statistical model leads to an inescapable conclusion that scissors mode resonances are built not only on the groundstate, but also on excited levels in all product nuclei studied. The results on summed B(M1)up arrow strength and energy of the scissors mode are compared with systematics of scissors mode parameters for the ground-state transitions deduced from nuclear resonance fluorescence measurements. A specific feature of our experiments is the investigation of scissors mode of odd nuclei, for which the nuclear resonance fluorescence provides only limited information. C1 [Kroll, J.; Becvar, F.; Krticka, M.] Charles Univ Prague, CZ-18000 Prague 8, Czech Republic. [Baramsai, B.; Chyzh, A.; Dashdorj, D.; Mitchell, G. E.; Walker, C. L.] North Carolina State Univ, Raleigh, NC 27695 USA. [Baramsai, B.; Chyzh, A.; Dashdorj, D.; Mitchell, G. E.; Walker, C. L.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Becker, J. A.; Chyzh, A.; Dashdorj, D.; Parker, W.; Wu, C. Y.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.; Wilhelmy, J. B.; Wouters, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kroll, J (reprint author), Charles Univ Prague, CZ-18000 Prague 8, Czech Republic. EM kroll@ipnp.troja.mff.cuni.cz FU U. S. Department of Energy [DE-FG52-09NA29460, DE-FG02-97-ER41042]; U. S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security, LLC [DE-AC52-06NA25396]; Lawrence Livermore National Laboratory by the Lawrence Livermore National Security, LLC [DE-AC52-07NA27344]; Ministry of Education of the Czech Republic [MSM 0021620859, INGO LA08015]; Charles University in Prague [SVV-2011-263309] FX This work was supported in part by the U. S. Department of Energy Grants No. DE-FG52-09NA29460 and No. DE-FG02-97-ER41042. This work benefited from the use of the LANSCE accelerator and was performed under the auspices of the U. S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396 and at the Lawrence Livermore National Laboratory by the Lawrence Livermore National Security, LLC under Contract No. DE-AC52-07NA27344. It was also supported by the research plans MSM 0021620859, and INGO LA08015 of the Ministry of Education of the Czech Republic, and grant SVV-2011-263309 of the Charles University in Prague. NR 34 TC 4 Z9 4 U1 3 U2 7 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 04005 DI 10.1051/epjconf/20122104005 PG 13 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300017 ER PT S AU Kunieda, S Kawano, T Chadwick, MB Fukahori, T Watanabe, Y AF Kunieda, S. Kawano, T. Chadwick, M. B. Fukahori, T. Watanabe, Y. BE Krticka, M Becvar, F Kroll, J TI Clustering Pre-equilibrium Model Analysis for Nucleon-induced Alpha-particle Spectra up to 200 MeV SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID GRIFFIN MODEL; EMISSION; DEPENDENCE; ENERGIES; CO-59 AB The clustering exciton model of Iwamoto and Harada is applied to the analysis of pre-equilibrium (N; x alpha) energy spectra for medium-to-heavy nuclei up to 200 MeV. In this work, we calculate alpha-particle formation factors without any approximations that appear in the original model. The clustering process is also considered in both the primary and second pre-equilibrium emissions. We optimize the exciton and the clustering model parameters simultaneously by looking at the experimental (N; xN) and (N; x alpha) energy spectra. The experimental alpha-particle spectra are well reproduced with a unique set of clustering model parameters, which is independent of incident neutrons/protons. The present analysis also implies that the clustering model parameter is not so different between the medium and heavy nuclei. Our calculations reproduce experimental data generally well up to the incident energy of similar to 150 MeV, but underestimations are seen above this energy. C1 [Kunieda, S.; Kawano, T.; Chadwick, M. B.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Kunieda, S.; Fukahori, T.] Nucl Data Ctr, Japan Atom Energy Agcy, Tokai, Ibaraki 3191195, Japan. [Watanabe, Y.] Kyushu Univ, Dept Adv Energy Engn Sci, Kasuga, Fukuoka 8168580, Japan. RP Kunieda, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM kunieda.satoshi@jaea.go.jp FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX One of the authors S. Kunieda thanks Los Alamos National Laboratory for the hospitality during his stay. He is also grateful to Dr. S. Okajima of Japan Atomic Energy Agency who encouraged this study. 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 No. DE-AC52-06NA25396. NR 18 TC 1 Z9 1 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 09003 DI 10.1051/epjconf/20122109003 PG 8 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300042 ER PT S AU Moretto, LG Elliott, JB Lake, PT Phair, L AF Moretto, L. G. Elliott, J. B. Lake, P. T. Phair, L. BE Krticka, M Becvar, F Kroll, J TI Nuclear matter phase diagram from compound nucleus decay SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID MULTIFRAGMENTATION; MODEL; REDUCIBILITY; TRANSITION; SIMULATION; CLUSTERS; DYNAMICS; BARRIERS; GOLD; HOT AB The finite size of nuclei and the Coulomb interaction make it difficult to describe systems interacting through the strong force into thermodynamic terms. Our task is to extract the phase diagram of the theoretical infinite symmetrical uncharged nuclear matter from experiments of nuclear collisions where the systems are neither infinite, symmetrical, nor uncharged. Decay yields from such experiments are translated into coexistence densities and pressures by use of Fisher's droplet model. This method is tested on model systems such as the Ising model and a system of particles interacting via the Lennard-Jones potential. The specific problems inherent to nuclear reactions are considered. These include finite size effects, Coulomb repulsion, and the lack of a physical vapor in contact with a decaying system. Experimental data of compound nucleus experiments are studied within this framework, which is also shown to extend to higher energy reactions. Finally, the phase diagram of nuclear matter is extracted. C1 [Moretto, L. G.; Lake, P. T.; Phair, L.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Elliott, J. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Moretto, LG (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM lgmoretto@lbl.gov NR 43 TC 0 Z9 0 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 08009 DI 10.1051/epjconf/20122108009 PG 14 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300038 ER PT S AU Randrup, J Moller, P Sierk, AJ AF Randrup, Jorgen Moeller, Peter Sierk, Arnold J. BE Krticka, M Becvar, F Kroll, J TI Brownian shape motion: Fission fragment mass distributions SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID NUCLEAR-FISSION; HEAVY; BARRIERS; DISINTEGRATION; COLLISIONS; STABILITY; ELEMENTS; MODEL AB It was recently shown that remarkably accurate fission-fragment mass distributions can be obtained by treating the nuclear shape evolution as a Brownian walk on previously calculated five-dimensional potential-energy surfaces; the current status of this novel method is described here. C1 [Randrup, Jorgen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Moeller, Peter; Sierk, Arnold J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Randrup, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM JRandrup@LBL.gov OI Moller, Peter/0000-0002-5848-3565 FU Office of Nuclear Physics in the U.S. Department of Energy's Office of Science [DE-AC02-05CH11231]; JUSTIPEN/UT [DE-FG02- 06ER41407]; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was supported by the Office of Nuclear Physics in the U.S. Department of Energys Office of Science under Contract DE-AC02-05CH11231 (JR) and JUSTIPEN/UT grant DE-FG02- 06ER41407 (PM), and by the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 (PM & AJS). NR 28 TC 0 Z9 0 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 08006 DI 10.1051/epjconf/20122108006 PG 8 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300035 ER PT S AU Talou, P Becker, B Kawano, T Danon, Y AF Talou, Patrick Becker, Bjorn Kawano, Toshihiko Danon, Yaron BE Krticka, M Becvar, F Kroll, J TI Monte Carlo Hauser-Feshbach Modeling of Prompt Fission Neutrons and Gamma Rays SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID NUCLEAR-LEVEL DENSITIES; FORMULA; CF-252 AB The decay of fission fragments is studied through Monte Carlo Hauser-Feshbach model calculations taking into account the competition between the emissions of prompt fission neutrons and gamma rays. The importance of initial excitation energy and spin distribution in the primary light and heavy fragments is demonstrated through comparison with experimental data. Excitation energy sorting mechanisms at scission are discussed in the light of these advanced simulations. Preliminary results on prompt fission gamma rays are also reported. C1 [Talou, Patrick; Kawano, Toshihiko] Los Alamos Natl Lab, Nucl Theory Grp, T-2, Los Alamos, NM 87545 USA. [Becker, Bjorn; Danon, Yaron] Rensselaer Polytech Inst, Gaertner LINAC Lab, Troy, NY 12180 USA. RP Talou, P (reprint author), Los Alamos Natl Lab, Nucl Theory Grp, T-2, Los Alamos, NM 87545 USA. EM talou@lanl.gov OI Becker, Bjorn/0000-0001-6821-1873 NR 26 TC 3 Z9 3 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 08003 DI 10.1051/epjconf/20122108003 PG 11 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300032 ER PT S AU Vogt, R Randrup, J AF Vogt, R. Randrup, J. BE Krticka, M Becvar, F Kroll, J TI Applications of Event-by-Event Fission Modeling with FREYA SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID NEUTRON-INDUCED FISSION; PROMPT NEUTRONS; FRAGMENTS; ENERGY; MASS; MULTIPLICITY; PU-239 AB The recently developed code FREYA (Fission Reaction Event Yield Algorithm) generates large samples of complete fission events, consisting of two receding product nuclei as well as a number of neutrons and photons, all with complete kinematic information. Thus it is possible to calculate arbitrary correlation observables whose behavior may provide unique insight into the fission process. We first discuss the present status of FREYA, which has now been extended to include spontaneous fission. Concentrating on Pu-239(nth, f), Pu-240(sf) and Cf-252(sf), we discuss the neutron multiplicity correlations, the dependence of the neutron energy spectrum on the neutron multiplicity, and the relationship between the fragment kinetic energy and the number of neutrons and their energies. We also suggest novel fission observables that could be measured with modern detectors. C1 [Vogt, R.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. [Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Randrup, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Vogt, R (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. EM vogt2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Science Foundation [NSF PHY-0555660]; U.S. Department of Energy by Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; US Department of Energy National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development FX We acknowledge helpful discussions with A. Bernstein and C. Hagmann. The work of R.V. was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The work of R.V. was also supported in part by the National Science Foundation Grant NSF PHY-0555660. The work of J.R. was performed under the auspices of the U.S. Department of Energy by Lawrence Berkeley National Laboratory under Contract DE-AC02-05CH11231. This research is also supported by the US Department of Energy National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development. NR 23 TC 1 Z9 1 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 08007 DI 10.1051/epjconf/20122108007 PG 9 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300036 ER PT S AU Wieleczko, JP Ademard, G Mazurek, K Schmitt, C Bonnet, E Chbihi, A Frankland, JD del Campo, JG La Commara, M Vigilante, M Rosato, E Spadaccini, G Beck, C Barlini, S Borderie, B Bougault, R Dayras, R De Angelis, G De Sanctis, J Kravchuk, VL Lautesse, P Le Neindre, N D'Onofrio, A Parlog, M Pierroutsakou, D Romoli, M Roy, R AF Wieleczko, J. P. Ademard, G. Mazurek, K. Schmitt, C. Bonnet, E. Chbihi, A. Frankland, J. D. del Campo, J. Gomez La Commara, M. Vigilante, M. Rosato, E. Spadaccini, G. Beck, C. Barlini, S. Borderie, B. Bougault, R. Dayras, R. De Angelis, G. De Sanctis, J. Kravchuk, V. L. Lautesse, P. Le Neindre, N. D'Onofrio, A. Parlog, M. Pierroutsakou, D. Romoli, M. Roy, R. BE Krticka, M Becvar, F Kroll, J TI Asymmetric Fission in the Kr-78+Ca-40 reactions at 5.5 MeV/nucleon SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID COMPLEX FRAGMENT EMISSION; EXCITATION-FUNCTIONS; ROTATING NUCLEI; BARRIERS; MODEL; ENERGIES; RANGE AB The cross section, kinetic energy distribution and angular distribution of fragments with atomic number 3 <= Z <= 28 emitted in the reaction Kr-78 + Ca-40 at the bombarding energy of 5.5 MeV/nucleon and coincidence between light charged particles and fragments were measured by means of the 4 pi-INDRA array to study the decay mechanism of medium mass excited nucleus. Global features indicate a high degree of relaxation and are compatible with a binary fission from compound nucleus. The mean value of the kinetic energy distributions of fragments indicates dominance of Coulomb interaction, while the width of the distribution signals large fluctuations. Inclusive cross-section distributions of fragments with charge 3 <= Z <= 28 are bell-shaped and a strong even-odd-staggering (o-e-s) is observed for 3 <= Z <= 12. Coincidence measurements suggest that the light partners in very asymmetric fission are emitted at excitation energies below the particle emission thresholds. Data were confronted to the predictions of statistical model describing the decay of compound nuclei by emission of light particles and fragments. Calculations assuming spherical fission fragments and finite-range liquid drop fission barriers are not able to explain the experimental features. Attempts have been made to improve the agreement with experimental data. The analysis indicates the strong influence of the shape parameterization of the potential energy surface in describing the fission process of intermediate mass compound nuclei. C1 [Wieleczko, J. P.; Ademard, G.; Mazurek, K.; Schmitt, C.; Bonnet, E.; Chbihi, A.; Frankland, J. D.] GANIL, CEA, DSM, CNRS,IN2P3, Bvd H Becquerel, F-14076 Caen, France. [del Campo, J. Gomez] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [La Commara, M.; Vigilante, M.; Rosato, E.; Spadaccini, G.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [La Commara, M.; Vigilante, M.; Rosato, E.; Spadaccini, G.; Pierroutsakou, D.; Romoli, M.] Ist Nazl Fis Nucl, Sezione Napoli, I-80126 Naples, Italy. [Beck, C.] Univ Strasbourg, CNRS, IN2P3, IPHC, F-67037 Strasbourg, France. [Barlini, S.] Ist Nazl Fis Nucl, Sezione Firenze, I-50125 Florence, Italy. [Borderie, B.] Univ Paris 11, CNRS, IN2P3, IPNO, F-91406 Orsay, France. [Bougault, R.; Le Neindre, N.; Parlog, M.] ENSICAEN & Univ, CNRS, IN2P3, LPC, F-14050 Caen, France. [Dayras, R.] CEA Saclay, SPhN, IRFU, CEA, F-91191 Gif Sur Yvette, France. [De Angelis, G.; Kravchuk, V. L.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [De Sanctis, J.] Ist Nazl Fis Nucl, Sezione Bologna, I-40127 Bologna, Italy. [Lautesse, P.] CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. [Roy, R.] Univ Laval, Phys Nucl Lab, Quebec City, PQ, Canada. [D'Onofrio, A.] Seconda Univ Napoli, Dipartimento Sci Ambientali, I-81100 Caserta, Italy. RP Wieleczko, JP (reprint author), GANIL, CEA, DSM, CNRS,IN2P3, Bvd H Becquerel, F-14076 Caen, France. EM wieleczko@ganil.fr RI Frankland, John/I-4768-2013; spadaccini, giulio/K-7633-2015 OI Frankland, John/0000-0002-4907-5041; spadaccini, giulio/0000-0002-6327-432X NR 27 TC 0 Z9 0 U1 1 U2 7 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 02001 DI 10.1051/epjconf/20122102001 PG 10 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300004 ER PT S AU Wilson, JN Gunsing, F Bernstein, L Burger, A Gorgen, A Guttormssen, M Larsen, AC Mansouri, P Renstrom, T Rose, SJ Siem, S Wiedeking, M Wiborg, T AF Wilson, J. N. Gunsing, F. Bernstein, L. Buerger, A. Goergen, A. Guttormssen, M. Larsen, A-C. Mansouri, P. Renstrom, T. Rose, S. J. Siem, S. Wiedeking, M. Wiborg, T. BE Krticka, M Becvar, F Kroll, J TI Level Densities in the actinide region and indirect n,gamma cross section measurements using the surrogate method SO CNR*11 - THIRD INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Workshop on Compound Nuclear Reactions and Related Topics (CNR) CY SEP 19-23, 2011 CL Prague, CZECH REPUBLIC ID YB-172 AB Results from a program of measurements of level densities and gamma ray strength functions in the actinide region are presented. Experiments at the Oslo cyclotron involving the Cactus/Siri detectors and Th-232(d,x) and Th-232(He-3,x) reactions were carried out to help answer the question of which level density model is the most appropriate for actinide nuclei, since it will have an impact on cross section calculations important for reactor physics simulations. A new technique for extracting level densities and gamma ray strength functions from particle-gamma coincidence data is proposed and results from the development of this technique are presented. In addition, simultaneous measurements of compound nuclear gamma decay probabilities have been performed for the key thorium cycle nuclei Th-233, Th-231 and Pa-232 up to around 1MeV above the neutron binding energy and have enabled extraction of indirect neutron induced capture cross sections for the Th-232, Pa-231 and Th-230 nuclei using the surrogate reaction method. Since the neutron capture cross section for Th-232 is already well known from direct measurements a comparison provides a stringent test of the applicability of the surrogate technique in the actinide region. C1 [Wilson, J. N.] Inst Phys Nucl, BP 100,15 Rue G Clemenceau, F-91406 Orsay, France. [Gunsing, F.] CEA Saclay, DSM, IRFU, F-91191 Gif Sur Yvette, France. [Buerger, A.; Goergen, A.; Guttormssen, M.; Larsen, A-C.; Mansouri, P.; Renstrom, T.; Rose, S. J.; Siem, S.; Wiborg, T.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Bernstein, L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Wiedeking, M.] Themba LABS, Somerset West 7129, South Africa. RP Wilson, JN (reprint author), Inst Phys Nucl, BP 100,15 Rue G Clemenceau, F-91406 Orsay, France. EM wilson@ipno.in2p3.fr RI Larsen, Ann-Cecilie/C-8742-2014 OI Larsen, Ann-Cecilie/0000-0002-2188-3709 NR 13 TC 1 Z9 1 U1 2 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2012 VL 21 AR 01003 DI 10.1051/epjconf/20122101003 PG 6 WC Physics, Nuclear SC Physics GA BAL14 UT WOS:000304527300003 ER PT S AU Kelley, S Goldberg, M Magdon-Ismail, M Mertsalov, K Wallace, A AF Kelley, Stephen Goldberg, Mark Magdon-Ismail, Malik Mertsalov, Konstantin Wallace, Al BE Thai, MT Pardalos, PM TI Defining and Discovering Communities in Social Networks SO HANDBOOK OF OPTIMIZATION IN COMPLEX NETWORKS: THEORY AND APPLICATIONS SE Springer Series in Optimization and Its Applications LA English DT Article; Book Chapter ID COMPLEX NETWORKS; IDENTIFICATION; FUZZY C1 [Kelley, Stephen] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Goldberg, Mark; Magdon-Ismail, Malik; Mertsalov, Konstantin; Wallace, Al] Rensselaer Polytech Inst, Troy, NY USA. RP Kelley, S (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA. EM kelleyjs@ornl.gov NR 27 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1931-6828 BN 978-1-4614-0753-9 J9 SPRINGER SER OPTIM A PY 2012 VL 57 BP 139 EP 168 DI 10.1007/978-1-4614-0754-6_6 D2 10.1007/978-1-4614-0754-6 PG 30 WC Operations Research & Management Science; Mathematics, Applied; Telecommunications SC Operations Research & Management Science; Mathematics; Telecommunications GA BYU16 UT WOS:000300341200006 ER PT J AU Miller-Jensen, K Dey, SS Pham, N Foley, JE Arkin, AP Schaffer, DV AF Miller-Jensen, Kathryn Dey, Siddharth S. Pham, Nhung Foley, Jonathan E. Arkin, Adam P. Schaffer, David V. TI Chromatin accessibility at the HIV LTR promoter sets a threshold for NF-kappa B mediated viral gene expression SO INTEGRATIVE BIOLOGY LA English DT Article ID IMMUNODEFICIENCY-VIRUS TYPE-1; LONG TERMINAL REPEAT; TRANSCRIPTIONAL ELONGATION; EPIGENETIC REGULATION; LATENT INFECTION; DNA-SEQUENCE; P-TEFB; BINDING; TAT; RECRUITMENT AB Higher order chromatin structure in eukaryotes can lead to differential gene expression in response to the same transcription factor; however, how transcription factor inputs integrate with quantitative features of the chromatin environment to regulate gene expression is not clear. In vitro models of HIV gene regulation, in which repressive mechanisms acting locally at an integration site keep proviruses transcriptionally silent until appropriately stimulated, provide a powerful system to study gene expression regulation in different chromatin environments. Here we quantified HIV expression as a function of activating transcription factor nuclear factor-kappa B RelA/p65 (RelA) levels and chromatin features at a panel of viral integration sites. Variable RelA overexpression demonstrated that the viral genomic location sets a threshold RelA level necessary to induce gene expression. However, once the induction threshold is reached, gene expression increases similarly for all integration sites. Furthermore, we found that higher induction thresholds are associated with repressive histone marks and a decreased sensitivity to nuclease digestion at the LTR promoter. Increasing chromatin accessibility via inhibition of histone deacetylation or DNA methylation lowered the induction threshold, demonstrating that chromatin accessibility sets the level of RelA required to activate gene expression. Finally, a functional relationship between gene expression, RelA level, and chromatin accessibility accurately predicted synergistic HIV activation in response to combinatorial pharmacological perturbations. Different genomic environments thus set a threshold for transcription factor activation of a key viral promoter, which may point toward biological principles that underlie selective gene expression and inform strategies for combinatorial therapies to combat latent HIV. C1 [Miller-Jensen, Kathryn; Pham, Nhung; Schaffer, David V.] Univ Calif Berkeley, Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Dey, Siddharth S.; Schaffer, David V.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Dey, Siddharth S.; Schaffer, David V.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Foley, Jonathan E.; Arkin, Adam P.; Schaffer, David V.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Arkin, Adam P.; Schaffer, David V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Miller-Jensen, K (reprint author), Yale Univ, Dept Biomed Engn, New Haven, CT 06511 USA. EM aparkin@lbl.gov; schaffer@berkeley.edu RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 FU National Institute of Health [R01-GM73058, 1F32AI072996-01A2] FX This work was supported by National Institute of Health Grant R01-GM73058 (to D. V. S. and A. P. A.) and National Institutes of Health National Research Service Award 1F32AI072996-01A2 (to K.M.-J.). NR 42 TC 11 Z9 11 U1 1 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2012 VL 4 IS 6 BP 661 EP 671 DI 10.1039/c2ib20009k PG 11 WC Cell Biology SC Cell Biology GA 948EV UT WOS:000304487300009 PM 22555315 ER PT J AU Wu, HW Oliver, AE Ngassam, VN Yee, CK Parikh, AN Yeh, Y AF Wu, Huawen Oliver, Ann E. Ngassam, Viviane N. Yee, Chanel K. Parikh, Atul N. Yeh, Yin TI Preparation, characterization, and surface immobilization of native vesicles obtained by mechanical extrusion of mammalian cells SO INTEGRATIVE BIOLOGY LA English DT Article ID ESCHERICHIA-COLI; SIGNAL-TRANSDUCTION; PHYSICAL-PROPERTIES; RAMAN-SPECTROSCOPY; MEMBRANE DOMAINS; LIPID-BILAYERS; RAFTS; MICROSCOPY; CHOLESTEROL; ADSORPTION AB Native vesicles or "reduced protocells" derived by mechanical extrusion concentrate selected plasma membrane components, while downsizing complexities of whole cells. We illustrate this technique, characterize the physical-chemical properties of these reduced configurations of whole cells, and demonstrate their surface immobilization and patternability. This simple detergent-free vesicularized membrane preparation should prove useful in fundamental studies of cellular membranes, and may provide a means to engineer therapeutic cells and enable high-throughput devices containing near-native, functional proteolipidic assemblies. C1 [Wu, Huawen; Oliver, Ann E.; Ngassam, Viviane N.; Yee, Chanel K.; Parikh, Atul N.; Yeh, Yin] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP Wu, HW (reprint author), Sandia Natl Labs, Dept Biomass Sci & Convers Technol, 7011 East Ave, Livermore, CA 94551 USA. EM anparikh@ucdavis.edu; yyeh@ucdavis.edu RI PARIKH, ATUL/D-2243-2014; Wu, Huawen/A-8832-2015 OI PARIKH, ATUL/0000-0002-5927-4968; Wu, Huawen/0000-0002-7484-7170 FU UC Lawrence Livermore National Laboratory [B553617]; CBET division of National Science Foundation [1034569]; U.S. Department of Energy, Division of Materials Science Engineering [DE-FG02-04ER46173] FX We thank Dr Resmi Ravindran for the help protein quantification and Dr Thomas Huser for help with laser trapping Raman Spectroscopy. This work was supported by the UC Lawrence Livermore National Laboratory dissertation under award # B553617 (HW) and the CBET division of National Science Foundation under the award # 1034569 (VNN, AEO, and ANP). We also acknowledge support from the U.S. Department of Energy, Division of Materials Science & Engineering under award # DE-FG02-04ER46173, which supported initial characterization efforts (AEO, CKY, ANP). Part of the LTRS work was carried out at the NSF Center for Biophotonics Science & Technology (CBST), which is managed by the University of California, Davis under a cooperative agreement (No. PHY0120999). NR 50 TC 5 Z9 5 U1 0 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2012 VL 4 IS 6 BP 685 EP 692 DI 10.1039/c2ib20022h PG 8 WC Cell Biology SC Cell Biology GA 948EV UT WOS:000304487300011 PM 22543681 ER PT J AU Lee, DY Platt, V Bowen, B Louie, K Canaria, CA McMurray, CT Northen, T AF Lee, Do Yup Platt, Virginia Bowen, Ben Louie, Katherine Canaria, Christie A. McMurray, Cynthia T. Northen, Trent TI Resolving brain regions using nanostructure initiator mass spectrometry imaging of phospholipids SO INTEGRATIVE BIOLOGY LA English DT Article ID DESORPTION ELECTROSPRAY-IONIZATION; FATTY-ACID-COMPOSITION; RETROSPLENIAL CORTEX; TISSUE-SECTIONS; SPINAL-CORD; MATRIX; IDENTIFICATION; SYSTEM; LIPIDS; CELLS AB In a variety of neurological diseases, pathological progression is cell type and region specific. Previous reports suggest that mass spectrometry imaging has the potential to differentiate between brain regions enriched in specific cell types. Here, we utilized a matrix-free surface mass spectrometry approach, nanostructure initiator mass spectrometry (NIMS), to show that spatial distributions of multiple lipids can be used as a 'fingerprint' to discriminate between neuronal-and glial-enriched brain regions. In addition, glial cells from different brain regions can be distinguished based on unique lipid profiles. NIMS images were generated from sagittal brain sections and were matched with immunostained serial sections to define glial cell enriched areas. Tandem mass spectrometry (LC-MS/MS QTOF) on whole brain extracts was used to identify 18 phospholipids. Multivariate statistical analysis (Nonnegative Matrix Factorization) enhanced differentiation of brain regions and cell populations compared to single ion imaging methods. This analysis resolved brain regions that are difficult to distinguish using conventional stains but are known to have distinct physiological functions. This method accurately distinguished the frontal (or somatomotor) and dorsal (or retrosplenial) regions of the cortex from each other and from the pons region. C1 [Lee, Do Yup; Platt, Virginia; Bowen, Ben; Louie, Katherine; Canaria, Christie A.; McMurray, Cynthia T.; Northen, Trent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [McMurray, Cynthia T.] Mayo Clin & Mayo Fdn, Dept Mol Pharmacol & Expt Therapeut, Rochester, MN 55905 USA. [McMurray, Cynthia T.] Mayo Clin & Mayo Fdn, Dept Biochem & Mol Biol, Rochester, MN 55905 USA. RP Lee, DY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ctmcmurray@lbl.gov; tnorthen@lbl.gov RI Northen, Trent/K-3139-2012; OI Northen, Trent/0000-0001-8404-3259 FU National Institutes of Health [RC1NS069177, NS40738, NS062384] FX This work was supported by the National Institutes of Health grants RC1NS069177 (CTM and TRN), NS40738 (CTM), and NS062384 (CTM). We extend the deepest gratitude to members of the McMurray, Northen and Tainer Laboratories for their fruitful comments and critiques. NR 40 TC 13 Z9 13 U1 3 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2012 VL 4 IS 6 BP 693 EP 699 DI 10.1039/c2ib20043k PG 7 WC Cell Biology SC Cell Biology GA 948EV UT WOS:000304487300012 PM 22543711 ER PT J AU Dewers, TA Heath, J Ewy, R Duranti, L AF Dewers, Thomas A. Heath, Jason Ewy, Russ Duranti, Luca TI Three-dimensional pore networks and transport properties of a shale gas formation determined from focused ion beam serial imaging SO INTERNATIONAL JOURNAL OF OIL GAS AND COAL TECHNOLOGY LA English DT Article DE shale gas; Haynesville formation; pore networks; focused ion beam; FIB ID MUDSTONES; ROCKS; PERMEABILITY AB Three-dimensional pore network reconstructions of mudstone properties are made using dual focused ion beam-scanning electron microscopy (FIB-SEM). Samples of Jurassic Haynesvillc Formation mudstone are examined with FIB-SEM and image analysis to determine pore properties, topology, and tortuosity. Resolvable pore morphologies (>similar to 10 nm) include large slit-like pores between clay aggregates and smaller pores in strain shadows surrounding larger elastic grains. Mercury injection capillary pressure (MICP) data suggest a dominant 1-10 nm or less size of pores barely resolvable by FIB-SEM imaging. Computational fluid dynamics modelling is used to calculate single phase permeability of the larger pore networks on the order of a few nanodarcys (which compare favourably with core-scale permeability tests). This suggests a pore hierarchy wherein permeability may be limited by connected networks of inter-aggregate pores larger than about 20 nm, while MICP results reflect smaller connected networks of pores residing in the clay matrix. [Received: May 12,2011; Accepted: September 14,2011] C1 [Dewers, Thomas A.] Sandia Natl Labs, Geomech Dept, Albuquerque, NM 87185 USA. [Heath, Jason] Sandia Natl Labs, Geophys & Atmospher Sci Dept, Albuquerque, NM 87185 USA. [Ewy, Russ; Duranti, Luca] Chevron Energy Technol Co, San Ramon, CA 94583 USA. RP Dewers, TA (reprint author), Sandia Natl Labs, Geomech Dept, POB 5800, Albuquerque, NM 87185 USA. EM tdewers@sandia.gov; jeheath@sandia.gov; RussEwy@chevron.com; lduranti@chevron.com FU US Department of Energy Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors wish to thank Joe Michael and Michael Rye for help in acquiring the image slices and sample preparation. Brent Lindquist is thanked for providing the 3DMA-Rock software. The comments of three anonymous reviewers were of great benefit in preparing the manuscript and the authors thank them for their time and effort. The authors gratefully acknowledge funding from the US Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 23 Z9 25 U1 2 U2 62 PU INDERSCIENCE ENTERPRISES LTD PI GENEVA PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 856, CH-1215 GENEVA, SWITZERLAND SN 1753-3309 J9 INT J OIL GAS COAL T JI Int. J. Oil Gas Coal Technol. PY 2012 VL 5 IS 2-3 SI SI BP 229 EP 248 PG 20 WC Energy & Fuels; Engineering, Chemical; Engineering, Petroleum SC Energy & Fuels; Engineering GA 950GN UT WOS:000304637700007 ER PT J AU Sattayasamitsathit, S O'Mahony, AM Xiao, XY Brozik, SM Washburn, CM Wheeler, DR Gao, W Minteer, S Cha, J Burckel, DB Polsky, R Wang, J AF Sattayasamitsathit, Sirilak O'Mahony, Aoife M. Xiao, Xiaoyin Brozik, Susan M. Washburn, Cody M. Wheeler, David R. Gao, Wei Minteer, Shelley Cha, Jennifer Burckel, D. Bruce Polsky, Ronen Wang, Joseph TI Highly ordered tailored three-dimensional hierarchical nano/microporous gold-carbon architectures SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID POROUS CARBON; NANOPOROUS METALS; ELECTRODES; NANOWIRES; FABRICATION; CATALYSTS; AU AB The preparation and characterization of three-dimensional hierarchical architectures, consisting of monolithic nanoporous gold or silver films formed on highly ordered 3D microporous carbon supports, are described. The formation of these nano/microporous structures involves the electrodeposition or sputtering of metal alloys onto the lithographically patterned multi-layered microporous carbon, followed by preferential chemical dealloying of the less noble component. The resulting hierarchical structure displays a highly developed 3D interconnected network of micropores with a nanoporous metal coating. Tailoring the nanoporosity of the metal films and the diameter of the large micropores has been accomplished by systematically changing the alloy compositions via control of the deposition potential, plating solution and coarsening time. SEM imaging illustrates the formation of unique biomimetic nanocoral- or nanocauliflower-like self-supporting structures, depending on the specific preparation conditions. The new 3D hierarchical nano/microporous architectures allow for enhanced mass transport and catalytic activity compared to common nanoporous films prepared on planar substrates. The functionality of this new carbon-gold hierarchical structure is illustrated for the greatly enhanced performance of enzymatic biofuel cells where a substantially higher power output is observed compared to the bare microporous carbon substrate. C1 [Xiao, Xiaoyin; Brozik, Susan M.; Washburn, Cody M.; Wheeler, David R.; Burckel, D. Bruce; Polsky, Ronen] Sandia Natl Labs, Dept Biosensors & Nanomat, Albuquerque, NM 87185 USA. [Sattayasamitsathit, Sirilak; O'Mahony, Aoife M.; Gao, Wei; Cha, Jennifer; Wang, Joseph] Univ Calif San DiegoLa Jolla, Dept Nanoengn, La Jolla, CA 92093 USA. [Minteer, Shelley] Univ Utah, Dept Chem & Mat Sci & Engn, Salt Lake City, UT 84112 USA. RP Polsky, R (reprint author), Sandia Natl Labs, Dept Biosensors & Nanomat, POB 5800, Albuquerque, NM 87185 USA. EM rpolsky@sandia.gov; josephwang@ucsd.edu RI Sattayasamitsathit, Sirilak/A-6883-2010; Gao, Wei/A-1347-2011; Wang, Joseph/C-6175-2011; Minteer, Shelley/C-4751-2014 OI Sattayasamitsathit, Sirilak/0000-0003-0349-3333; Gao, Wei/0000-0002-8503-4562; Minteer, Shelley/0000-0002-5788-2249 FU Sandia National Laboratories; National Science Foundation [CHE-1057562]; DOE BES [DE-SC0004937] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories and the National Science Foundation (Award Number CHE-1057562). A.O' M. was partially supported by DOE BES DE-SC0004937. NR 25 TC 13 Z9 13 U1 3 U2 67 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 24 BP 11950 EP 11956 DI 10.1039/c2jm31485a PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 949FK UT WOS:000304561900012 ER PT J AU Wang, DP Belharouak, I Gallagher, S Zhou, GW Amine, K AF Wang, Dapeng Belharouak, Ilias Gallagher, Sabine Zhou, Guangwen Amine, Khalil TI Chemistry and electrochemistry of concentric ring cathode Li1.42Ni0.25Mn0.75O2+gamma for lithium batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID PARTICLE-SIZE; ION BATTERIES; ELECTRODE MATERIAL; CO; COPRECIPITATION; PERFORMANCE; ANODES; OXIDES AB A co-precipitation method in a continuous stirred tank reactor was developed to synthesize the carbonate precursor Ni0.25Mn0.75CO3 for the cathode material Li1.42Ni0.25Mn0.75O2+gamma. Both the precursor and the cathode materials were studied by a variety of characterization methods in order to establish a link between the compositions, structures, and physical properties of these compounds and the electrochemical properties of the Li1.42Ni0.25Mn0.75O2+gamma cathode. The precursor particles were found to have concentric ring architectures during the co-precipitation reaction, resulting in spherical particles composed of 20 mu m bulky cores around which several shells/layers formed. The variation in the number of layers grown on each precursor particle led to a wide size distribution for both the precursor and cathode compounds. Cathode particles whose sizes were above 20 mu m yielded lower specific capacities due to the diminished lithium ion diffusion across the voids that separate the subsequent shells. The ring architecture of the particles can be destroyed by soft ball milling, which improves the overall electrochemical performance of the cathode. C1 [Wang, Dapeng; Belharouak, Ilias; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Gallagher, Sabine] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Wang, Dapeng; Zhou, Guangwen] SUNY Binghamton, Binghamton, NY 13902 USA. RP Belharouak, I (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov RI Amine, Khalil/K-9344-2013 FU U.S. Department of Energy Office of Science laboratory [DE-AC0206CH11357, DE-AC02-06CH11357]; U.S. Department of Energy; Freedom CAR; Vehicle Technologies Office; UChicago Argonne, LLC 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-AC0206CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in the said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. This research was funded by the U.S. Department of Energy, Freedom CAR, and Vehicle Technologies Office. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under contract no. DE-AC02-06CH11357 by UChicago Argonne, LLC. We also thank N. L. Dietz Rago for ultramicrotome work and Chi-Kai Lin for high energy X-ray diffractions. NR 23 TC 11 Z9 11 U1 0 U2 42 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 24 BP 12039 EP 12045 DI 10.1039/c2jm31285a PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 949FK UT WOS:000304561900024 ER PT J AU Huang, R Patwardhan, SC Biegler, LT AF Huang, Rui Patwardhan, Sachin C. Biegler, Lorenz T. TI Robust stability of nonlinear model predictive control based on extended Kalman filter SO JOURNAL OF PROCESS CONTROL LA English DT Article DE EKF; NMPC; Robust stability ID DISCRETE-TIME-SYSTEMS; FEEDBACK STABILIZATION; OUTPUT-FEEDBACK; OBSERVERS AB This work deals with state estimation and process control for nonlinear systems, especially when nonlinear model predictive control (NMPC) is integrated with extended Kalman filter (EKF) as the state estimator. In particular, we focus on the robust stability of NMPC and EKF in the presence of plant-model mismatch. The convergence property of the estimation error from the EKE in the presence of non-vanishing perturbations is established based on our previous work [1]. In addition, a so-called one way interaction is shown that the EKE error is not influenced by control action from the NMPC. Hence, the EKF analysis is still valid in the output-feedback NMPC framework, even though there is no separation principle for general nonlinear systems. With this result, we study the robust stability of the output-feedback NMPC under the impact of the estimation error. It turns out the output-feedback NMPC with EKF is Input-to-State practical Stable (ISpS). Finally, two offset-free strategies of output-feedback NMPC are presented and illustrated through a simulation example. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Huang, Rui] United Technol Res Ctr, E Hartford, CT 06108 USA. [Biegler, Lorenz T.] Collaboratory Proc & Dynam Syst Res, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Biegler, Lorenz T.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Patwardhan, Sachin C.] Indian Inst Technol, Dept Chem Engn, Mumbai 400076, Maharashtra, India. RP Huang, R (reprint author), United Technol Res Ctr, 411 Silver Lane, E Hartford, CT 06108 USA. EM rui.huang@utrc.utc.com NR 18 TC 14 Z9 15 U1 1 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0959-1524 J9 J PROCESS CONTR JI J. Process Control PD JAN PY 2012 VL 22 IS 1 BP 82 EP 89 DI 10.1016/j.jprocont.2011.10.006 PG 8 WC Automation & Control Systems; Engineering, Chemical SC Automation & Control Systems; Engineering GA 948ML UT WOS:000304507200009 ER PT J AU Croy, JR Kim, D Balasubramanian, M Gallagher, K Kang, SH Thackeray, MM AF Croy, Jason R. Kim, Donghan Balasubramanian, Mahalingam Gallagher, Kevin Kang, Sun-Ho Thackeray, Michael M. TI Countering the Voltage Decay in High Capacity xLi(2)MnO(3)center dot(1-x)LiMO2 Electrodes (M=Mn, Ni, Co) for Li+-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM MANGANESE OXIDES; ANOMALOUS CAPACITY; POSITIVE ELECTRODE; CATHODE MATERIALS; MN; CELLS; LI2MNO3 AB A new approach to synthesizing high capacity lithium-metal-oxide cathodes for lithium-ion batteries from a Li2MnO3 precursor is described. The technique, which is simple and versatile, can be used to prepare a variety of integrated 'composite' electrode structures, such as 'layered-layered' xLi(2)MnO(3)center dot(1-x)LiMO2, 'layered-spinel' xLi(2)MnO(3)center dot(1-x)LiM2O4, 'layered-rocksalt' xLi(2)MnO(3)center dot(1-x)MO and more complex arrangements, in which M is typically Mn, Ni, and/or Co. Early indications are that electrodes prepared by this method are effective in 1) countering the voltage decay that occurs on cycling 'layered-layered' xLi(2)MnO(3)center dot(1-x)LiMO2 electrodes without compromising capacity, and 2) reducing the extent of electrochemical activation required above 4.5 V on the initial charge. In particular, a 0.5Li(2)MnO(3)center dot 0.5LiMn(0.5)Ni(0.5)O(2) electrode, after activation at 4.6 V, delivers a steady capacity of 245 mAh/g between 4.4 and 2.5 V at 15 mA/g (similar to C/15 rate) with little change to the voltage profile; a first cycle capacity loss of 12%, which is significantly less than usually observed for 'layered-layered' electrodes, has been achieved with a manganese-rich 0.1Li(2)MnO(3)center dot 0.9LiMn(0.50)Ni(0.37)Co(0.13)O(2) electrode. These results have implications for enhancing the performance of the next generation of high-energy lithium-ion batteries. The flexibility of the method and the variation in electrochemical properties of various composite electrode structures and compositions are demonstrated. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.080206jes] All rights reserved. C1 [Croy, Jason R.; Kim, Donghan; Gallagher, Kevin; Kang, Sun-Ho; Thackeray, Michael M.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, Argonne, IL 60439 USA. [Balasubramanian, Mahalingam] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. RP Croy, JR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, 9700 S Cass Ave, Argonne, IL 60439 USA. EM croy@anl.gov FU Office of Vehicle Technologies of the U.S. Department of Energy (DOE); U.S. DOE, Basic Energy Sciences; National Sciences and Engineering Research Council of Canada FX Financial support from the Office of Vehicle Technologies of the U.S. Department of Energy (DOE) is gratefully acknowledged. Sector 20 facilities at the Advanced Photon Source of Argonne National Laboratory, and research at these facilities, are supported by the U.S. DOE, Basic Energy Sciences, and National Sciences and Engineering Research Council of Canada and its founding institutions. NR 28 TC 154 Z9 158 U1 9 U2 256 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP A781 EP A790 DI 10.1149/2.080206jes PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700011 ER PT J AU Joyce, C Trahey, L Bauer, SA Dogan, F Vaughey, JT AF Joyce, Christopher Trahey, Lynn Bauer, Sara A. Dogan, Fulya Vaughey, John T. TI Metallic Copper Binders for Lithium-Ion Battery Silicon Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ELECTROCHEMICAL PERFORMANCE; NEGATIVE ELECTRODES; HIGH-CAPACITY; ANODES; SI; CELLS; NANOWIRES; CHEMISTRY; CATHODE; LI2MNO3 AB High capacity anode materials for lithium-ion batteries typically experience large crystallographic volume expansions due to formation of either alloy or Zintl LixM phases. This phenomena has been observed for several main group metals, including tin, silicon, and germanium, that are being considered for next generation anode materials. Solutions proposed include new morphologies, precursor phases, and organic binders but none have displaced previous binders because of higher costs or they introduce inactive or poorly conducting phases that hurt performance. In this report we have studied an alternative method of binding electrochemically active silicon to the current collector based on a method that utilizes copper as a replacement for both the binder and conductive additive in a standard electrode. For this system we have optimized conditions to maximize the adhesion of the silicon to the copper foil current collector while minimizing formation of binary intermetallic compounds. For compositions around Cu: 4 Si (64 wt% Si), the electrochemical cycle life is comparable to electrodes made using a PVDF polymer binder but with one-third the overall electrode resistance. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.107206jes] All rights reserved. C1 [Joyce, Christopher; Trahey, Lynn; Bauer, Sara A.; Dogan, Fulya; Vaughey, John T.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Grp, Argonne, IL 60439 USA. RP Joyce, C (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Grp, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vaughey@anl.gov OI Vaughey, John/0000-0002-2556-6129 FU Office of Vehicle Technologies at the U.S. Department of Energy [DE-AC02-06CH11357]; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors thank Dr. Chris Johnson, for his assistance. S.A.B. acknowledge the support received while at Argonne National Laboratory as a participant in the Science Undergraduate Research Internship (SULI) program administered by the Office of Science: Office of Workforce Development for Teachers and Scientists, U.S. Department of Energy. Support from the Office of Vehicle Technologies (Batteries for Advanced Transportation Technologies (BATT) Program) at the U.S. Department of Energy under Contract No. DE-AC02-06CH11357 is gratefully acknowledged.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide 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 39 TC 10 Z9 10 U1 2 U2 79 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP A909 EP A914 DI 10.1149/2.107206jes PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700027 ER PT J AU Lopez, CM Vaughey, JT Dees, DW AF Lopez, Carmen M. Vaughey, John T. Dees, Dennis W. TI Insights into the Role of Interphasial Morphology on the Electrochemical Performance of Lithium Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LI-ION BATTERIES; ATOMIC-FORCE MICROSCOPY; IMPEDANCE SPECTROSCOPY; ETHYLENE CARBONATE; RECHARGEABLE BATTERIES; VINYLENE CARBONATE; METAL BATTERIES; ENERGY DENSITY; AIR BATTERIES; ANODES AB With a theoretical specific capacity of 3862 mAh/g and other desirable properties such as high voltage, light weight, and high energy density, metallic lithium remains one of the materials of greatest promise for advanced battery applications. However, the complicated reactivity of this electrode with most practical battery electrolytes leads to substantial morphological and chemical changes that affect the safety and efficiency of the system, and have prevented its further implementation on rechargeable batteries. In this work we demonstrate how to establish a direct and systematic relationship between such morphological changes in the lithium electrode and the cycle performance of the battery. We demonstrate that the main morphological changes are associated with the decomposition of the redox-formed SEI layer, which follows different electrochemical pathways leading to different morphologies depending on the cycling rate of the cell. At high cycling rates (i > 0.16 mAcm(-2)), a three-layer morphology (dendritic layer, porous layer, residual lithium layer) is observed. At low cycling rates (i <= 0.16 mAcm(-2)), polymerization of electrolyte's solvents and gas evolution leading to macroscopic bubble clusters is observed. Furthermore, we demonstrate the advantages of using these systematic morphology-property relationships to fit and interpret complicated electrochemical impedance spectroscopy (EIS) data. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.100206jes] All rights reserved. C1 [Lopez, Carmen M.; Vaughey, John T.; Dees, Dennis W.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Lopez, CM (reprint author), CIC Energigune, Albert Einstein 48, Minano 01510, Alava, Spain. EM clopez@cicenergigune.com OI Lopez, Carmen M./0000-0002-6096-0674; Vaughey, John/0000-0002-2556-6129 FU Office of Vehicle Technologies Program, Hybrid and Electric Systems, of the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy; US Department of Energy Office of Science Laboratory [DE-AC02-06CH11357] FX Support from the Office of Vehicle Technologies Program, Hybrid and Electric Systems, of the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, David Howell and Tien Duong, is gratefully acknowledged. SEM images were recorded using the equipment at the Electron Microscopy Center for Materials Research, Argonne National Laboratory; a US Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. CML thanks Dr. Wenquan Lu and Dr. Daniel P. Abraham for many insightful discussions. NR 58 TC 16 Z9 16 U1 6 U2 40 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP A873 EP A886 DI 10.1149/2.100206jes PG 14 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700022 ER PT J AU Tavassol, H Buthker, JW Ferguson, GA Curtiss, LA Gewirth, AA AF Tavassol, Hadi Buthker, Joseph W. Ferguson, Glen A. Curtiss, Larry A. Gewirth, Andrew A. TI Solvent Oligomerization during SEI Formation on Model Systems for Li-Ion Battery Anodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID IN-SITU AFM; RECHARGEABLE LITHIUM BATTERIES; UNDERSTAND SURFACE-CHEMISTRY; CARBONATE-BASED ELECTROLYTE; TIN-BASED INTERMETALLICS; NOBLE-METAL ELECTRODES; X-RAY-DIFFRACTION; ETHYLENE CARBONATE; MASS-SPECTROMETRY; ELECTROCHEMICAL-BEHAVIOR AB We report the results of electrochemical quartz crystal microbalance (EQCM), and matrix assisted laser desorption ionization (MALDI) time of flight (TOF) mass spectrometry (MS) measurements along with detailed calculations examining the formation of the solid electrolyte interphase (SEI) on battery anode electrodes. EQCM analysis of Au and Sn surfaces in propylene carbonate (PC) and a 1:1 mixture of ethylene carbonate and dimethyl carbonate (EC:DMC) showed major irreversible mass uptake by the electrode surface especially during the first five cycles between +2 and 0.1 V vs. Li/Li+. MALDI-MS on emersed electrodes showed that long chain (m/z = 3000 on PC) oligomerized species were present on Au surfaces in PC and EC:DMC solvents, where oligomerized species formed in PC solutions showed higher mass ratios. The repeating units of the oligomer, visible as oscillations in the MALDI-MS, vary with the type of the solvent and electrode material. Sn surfaces initially showed formation of long chain polymers, but this material was not in evidence on electrode emersed after five cycles, which likely arises as a consequence of the catalytic involvement of Sn in decomposition of initially formed species. Density functional theory (DFT) calculations of cyclic solvent molecules suggested a radical initiated polymerization mechanism and predict oligomer subunits consistent with the experimental results. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.067206jes] All rights reserved. C1 [Tavassol, Hadi; Buthker, Joseph W.; Gewirth, Andrew A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Ferguson, Glen A.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Tavassol, H (reprint author), Univ Illinois, Dept Chem, Urbana, IL 61801 USA. EM agewirth@uiuc.edu FU U.S. Department of Energy; Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank Dr. Haijun Yao of Mass Spectrometry Laboratory of School of Chemical Sciences of University of Illinois Urbana-Champaign, for his helps with MALDI-TOF measurements. Financial support from the U.S. Department of Energy is gratefully acknowledged. J.W.B. and G.A.F. are 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 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. The authors also acknowledge computational resource provided by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 82 TC 49 Z9 49 U1 5 U2 145 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP A730 EP A738 DI 10.1149/2.067206jes PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700006 ER PT J AU Khudhayer, WJ Kariuki, N Myers, DJ Shaikh, AU Karabacak, T AF Khudhayer, Wisam J. Kariuki, Nancy Myers, Deborah J. Shaikh, Ali U. Karabacak, Tansel TI GLAD Cr Nanorods Coated with SAD Pt Thin Film for Oxygen Reduction Reaction SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID OBLIQUE ANGLE DEPOSITION; AQUEOUS ACID-SOLUTIONS; FUEL-CELL ELECTRODES; ALLOY SURFACES; ELECTROCATALYTIC ACTIVITY; PT-CO; PLATINUM; CHROMIUM; CATALYSTS; TEMPERATURE AB Vertically aligned chromium nanorod arrays were grown on glassy carbon electrodes by a dc magnetron sputtering glancing angle deposition (GLAD) technique. The Cr nanorods were used as low-cost, high surface area, metallic supports for a conformal Pt thin film, resulting in a potential low-loading electrocatalyst for the oxygen reduction reaction (ORR) in polymer electrolyte membrane (PEM) fuel cells. Conformal coatings of Pt on Cr nanorods were achieved using a dc magnetron sputtering small angle deposition (SAD) technique. The electrocatalytic ORR activity of SAD-Pt/GLAD-Cr electrodes was investigated using cyclic voltammetry and rotating-disk electrode techniques in a 0.1 M HClO4 solution at temperatures ranging from 20 to 60 degrees C, and was compared to those of GLAD Cr nanorods coated with Pt thin film deposited at normal and large angles of incidence. The results show that SAD-Pt/GLAD-Cr nanorods exhibit higher values of electrochemically-active surface area (ECSA), area- and mass-specific activities, and better stability against loss of ECSA during potential cycling in the acidic electrolyte. The improved ORR activity and enhanced catalyst utilization of SAD-Pt/GLAD-Cr electrode might be attributed to a better Pt conformality, especially at the sidewalls of the nanorods, and a preferential exposure of certain crystal facets. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.087206jes] All rights reserved. C1 [Khudhayer, Wisam J.] Univ Arkansas, Dept Syst Engn, Little Rock, AR 72204 USA. [Kariuki, Nancy; Myers, Deborah J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Shaikh, Ali U.] Univ Arkansas, Dept Chem, Little Rock, AR 72204 USA. [Karabacak, Tansel] Univ Arkansas, Dept Appl Sci, Little Rock, AR 72204 USA. RP Khudhayer, WJ (reprint author), Univ Arkansas, Dept Syst Engn, Little Rock, AR 72204 USA. EM wjkhudhayer@ualr.edu FU UChicago Argonne, LLC. [DE-AC02-06CH11357] FX The authors thank the UALR Nanotechnology Center and Dr. Fumiya Watanabe for his valuable support and discussions during SEM, EDX, and XRD measurements. The Argonne National Laboratory authors thank the Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program (Nancy Garland, DOE Program Manager). Argonne is a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 52 TC 14 Z9 14 U1 1 U2 23 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP B729 EP B736 DI 10.1149/2.087206jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700040 ER PT J AU Onishi, LM Prausnitz, JM Newman, J AF Onishi, Lisa M. Prausnitz, John M. Newman, John TI Steady-State Diffusion Coefficients for Water in Nafion in the Absence of Inert Gas SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PROTON-EXCHANGE MEMBRANES; POLYMER ELECTROLYTE MEMBRANES; TRANSPORT-PROPERTIES; FUEL-CELLS; SELF-DIFFUSION; IONOMER MEMBRANES; SORPTION; ION; EQUILIBRIUM; METHANOL AB Steady-state diffusion coefficients of water in Nafion were determined in the absence of inert gases at 25 degrees C. A large range of water activity was investigated to determine average and differential diffusion coefficients. Flux decreased toward zero as the water activity gradient between water vapor and liquid water approached zero, indicating no Schroeder's paradox. The average diffusion coefficients varied between 1 x 10(-6) and 5 x 10(-6) cm(2)/s, with a minimum at 14 moles H2O/mol SO3-. Differential diffusion coefficients ranged between 4 x 10(-7) and 2 x 10(-5) cm(2)/s, with a minimum at 14 moles H2O/mol SO3-. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.114206jes] All rights reserved. C1 [Onishi, Lisa M.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Onishi, LM (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM lisa.onishi@gmail.com RI Newman, John/B-8650-2008 OI Newman, John/0000-0002-9267-4525 FU Environmental Energy Technologies Division of the Lawrence Berkeley National Laboratory FX The authors thank Clayton Radke and Ali Boushehri for helpful discussions and the use of and training on their equipment. For financial support, the authors are grateful to the Environmental Energy Technologies Division of the Lawrence Berkeley National Laboratory. NR 44 TC 2 Z9 2 U1 0 U2 13 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP B754 EP B760 DI 10.1149/2.114206jes PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700043 ER PT J AU Missert, N Copeland, RG Johnson, CM Barbour, JC AF Missert, N. Copeland, R. G. Johnson, C. M. Barbour, J. C. TI Current Measurements from Multiple Pitting Sites in Engineered Aluminum Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ATOMIC-FORCE MICROSCOPY; LOCALIZED CORROSION; FLUORESCENCE MICROSCOPY; ALLOY 2024-T3; OXYGEN REDUCTION; PIT INITIATION; COPPER; AL; INCLUSIONS; PARTICLES AB Corrosion of aluminum in a system of engineered copper particles was studied in order to elucidate the nature of the interactions between multiple pitting sites. Single copper particles were fabricated on isolated, thin-film aluminum electrodes to enable independent measurements of excess anodic and cathodic currents flowing during open circuit exposures to dilute aqueous chloride solutions. In-situ fluorescence microscopy allowed imaging of local changes in solution pH during the exposure. Under the experimental conditions explored here, the anodic dissolution of aluminum beneath the majority of particles was balanced by cathodic reactions on the same electrode. However, excess anodic currents were also observed on some single electrodes due to accelerated dissolution of aluminum beneath the copper particles. These excess anodic currents were balanced by cathodic currents distributed between the other electrodes. Fluctuations in the excess anodic currents were correlated with fluctuations in the open circuit potential and with localized increases in solution pH above each of the copper particles. The transient nature of this accelerated dissolution suggests that it may evolve under anodic control. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.008206jes] All rights reserved. C1 [Missert, N.; Copeland, R. G.; Johnson, C. M.; Barbour, J. C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Missert, N (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM namisse@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-98CH1088] FX We thank Paul Gourley for the use of his confocal microscope, and Doug Wall and Mike Martinez for fabricating the Ag/AgCl electrode and for the use of their potentiostat for ac impedance and cathodic polarization measurements. We also acknowledge useful discussions with Doug Wall, Hugh Isaacs, Kevin Zavadil and John Sullivan. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under Contract DE-AC02-98CH1088. NR 33 TC 0 Z9 0 U1 1 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP C259 EP C264 DI 10.1149/2.008206jes PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700046 ER PT J AU Murer, N Missert, NA Buchheit, RG AF Murer, N. Missert, N. A. Buchheit, R. G. TI Finite Element Modeling of the Galvanic Corrosion of Aluminum at Engineered Copper Particles SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID QUARTZ-CRYSTAL MICROBALANCE; LOCALIZED CORROSION; FLUORESCENCE MICROSCOPY; ELECTROCHEMICAL-BEHAVIOR; INTERMETALLIC COMPOUND; FORCE MICROSCOPY; ALKALINE MEDIA; ALLOY 2024-T3; AL2CUMG; PH AB Finite element modeling based on solving the Nernst-Planck equation was used to describe the evolution of current densities and pH distribution at the surface of a bimetallic system. This system consisted of five single copper particles fabricated on isolated, thin-film aluminum electrodes exposed to dilute aqueous chloride solutions. Excess anodic and cathodic currents flowing during exposure were used to validate the model. The corrosion of the bimetallic system exhibited a passive and an active stage. The model was used firstly to quantify the influence of pH (modified by alkalization by O-2 reduction at the cathodes and acidification by Al3+ hydrolysis) on the passive-active transition and secondly to verify the anodic control of the active corrosion. EQCM (Electrochemical Quartz Crystal Microbalance) was used to obtain an experimental relationship between Al dissolution rate and pH. In the conditions of the model, Al3+ hydrolysis was found to activate Al dissolution in the early instants of exposure (approximate to 10 s) whereas OH- would have an effect only at longer times (hundreds of s). The pH-related destabilization appeared not to be sufficient enough to trigger active dissolution and it was proved that this stage was controlled by the anodic activity and not O-2 diffusion. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.102206jes] All rights reserved. C1 [Murer, N.; Buchheit, R. G.] Ohio State Univ, Fontana Corros Ctr, Columbus, OH 43210 USA. [Missert, N. A.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Murer, N (reprint author), Ohio State Univ, Fontana Corros Ctr, Columbus, OH 43210 USA. EM namisse@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-98CH1088] FX N. Murer thanks Y. Zhai for her help with the EQCM and S. Adhikari for fruitful discussions about EQCM results. The Ohio State University is gratefully acknowledged for the financial support of this work. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under Contract DE-AC02-98CH1088. NR 42 TC 3 Z9 3 U1 1 U2 21 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 6 BP C265 EP C276 DI 10.1149/2.102206jes PG 12 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 943QS UT WOS:000304140700047 ER PT J AU Gordon, J AF Gordon, John TI Special Issue based on the Symposium: Main Group Chemistry: A Continual Source of Fundamental New Knowledge and Applications in Everyday Life 67th Southwest Regional Meeting of the American Chemical Society, Austin, TX, USA, November 9-12, 2011 Preface SO MAIN GROUP CHEMISTRY LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gordon, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM jgordon@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2012 VL 11 IS 1 SI SI BP 1 EP 2 DI 10.3233/MGC-2012-0068 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 950IF UT WOS:000304642100001 ER PT J AU Felix, AM Boro, BJ Dickie, DA Tang, YJ Saria, JA Moasser, B Stewart, CA Frost, BJ Kemp, RA AF Felix, Ana M. Boro, Brian J. Dickie, Diane A. Tang, Yongjun Saria, Josephat A. Moasser, Bahram Stewart, Constantine A. Frost, Brian J. Kemp, Richard A. TI Insertion of CO2 into divalent group 2 and 12 bis(silylamides) SO MAIN GROUP CHEMISTRY LA English DT Article DE CO2; main group; isocyanates; carbodiimides; X-ray crystallography ID CARBON-DIOXIDE; STRUCTURAL-CHARACTERIZATION; HETEROCUMULENE METATHESIS; METATHETICAL EXCHANGE; CARBAMATO COMPLEXES; MILD CONDITIONS; N BONDS; ZINC; CHALLENGES; REACTIVITY AB Previous studies have shown that CO2 can insert into divalent Sn and Ge bis(silylamides) to give mixtures of silylated isocyanates and bis(silyl)carbodiimides, albeit rather sluggishly. In order to more effectively utilize the divalent metal bis(silylamides) in synthesis, more active and selective reactions to form only isocyanates or carbodiimides were needed. We have now shown that the more electropositive Group 2 complexes react with CO2 virtually instantaneously under the very mild conditions of room temperature and atmospheric pressure CO2. We have also demonstrated that CO2 can react under high pressure directly with the solid Mg bis(silylamides) to produce an unusual, high melting point solid. Different products are obtained when the cyclic, tied-back complex Mg[N(SiMe2CH2)(2)](2)(Et2O)(2) is used in place of Mg[N(SiMe3)(2)](2)(THF)(2). Various Zn bis(silylamides) can be designed to afford either the silyl isocyanate or the bis(alkyl)carbodiimide in near quantitative conversions in similar to 100% selectivities. Lastly, we have shown that the tied-back Zn complex can react with CO2 at room temperature and 4 atm CO2 pressure to cleave CO2 and generate a product containing a stable, [Zn4O](6+) core with a bridging mu(4)-O atom. C1 [Felix, Ana M.; Boro, Brian J.; Dickie, Diane A.; Tang, Yongjun; Saria, Josephat A.; Kemp, Richard A.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Moasser, Bahram] Georgetown Univ, Dept Chem, Washington, DC 20057 USA. [Stewart, Constantine A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. [Frost, Brian J.] Univ Nevada, Dept Chem, Reno, NV 89557 USA. RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM rakemp@unm.edu RI Dickie, Diane/B-1647-2010 OI Dickie, Diane/0000-0003-0939-3309 FU National Science Foundation [CHE09-11110, CHE08-40523, CHE09-46690]; Laboratory Directed Research and Development (LDRD) at Sandia National Laboratories [LDRD 14938, LDRD 151300]; United States Department of Energy [DE-AC04-94AL85000]; National Science Foundation CRIF:MU [CHE04-43580] FX This work was financially supported by the National Science Foundation (Grant CHE09-11110) and by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories (LDRDs 14938 and 151300). The Bruker X-ray diffractometer was purchased via a National Science Foundation CRIF:MU award to the University of New Mexico (CHE04-43580), and the NMR spectrometers were upgraded via grants from the NSF (CHE08-40523 and CHE09-46690). 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 38 TC 7 Z9 7 U1 1 U2 20 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2012 VL 11 IS 1 SI SI BP 13 EP 29 DI 10.3233/MGC-2012-0057 PG 17 WC Chemistry, Multidisciplinary SC Chemistry GA 950IF UT WOS:000304642100003 ER PT J AU Vasudevan, KV Scott, BL Gordon, JC AF Vasudevan, Kalyan V. Scott, Brian L. Gordon, John C. TI Main-group element compounds derived from the (1R,2R)-N,N '-bis(2-pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand SO MAIN GROUP CHEMISTRY LA English DT Article DE Schiff-base; salt; BPID; main-group ID SCHIFF-BASE LIGANDS; COORDINATION POLYMERS; METAL-COMPLEXES AB The reaction of the (1R,2R)-N,N'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand with 2 equivalents of GeCl2 center dot(dioxane) produced an unexpected germanium salt (1) while the reaction with two equivalents of TeBr4 resulted in a novel doubly-charged Te salt (2). These compounds represent the first main group complexes of the BPID ligand and demonstrate the unique reactivity of this versatile ligand class. Both compounds were characterized via single. crystal X-ray diffraction and elemental analysis, while compound 1 was further characterized by multinuclear NMR spectroscopy. C1 [Vasudevan, Kalyan V.; Gordon, John C.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM USA. RP Gordon, JC (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA. EM jgordon@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 FU G. T. Seaborg Institute at LANL FX We would like to gratefully acknowledge the G. T. Seaborg Institute at LANL for a fellowship to KVV. NR 27 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2012 VL 11 IS 1 SI SI BP 45 EP 52 DI 10.3233/MGC-2012-0060 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 950IF UT WOS:000304642100005 ER PT J AU Luppi, E Head-Gordon, M AF Luppi, Eleonora Head-Gordon, Martin TI Computation of high-harmonic generation spectra of H-2 and N-2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theory SO MOLECULAR PHYSICS LA English DT Article DE high-harmonic generation spectroscopy; time-dependent density functional theory; coupled cluster theory; electron dynamics ID SELF-INTERACTION CORRECTION; ELECTRONIC OPTICAL-RESPONSE; TD-CI SIMULATION; CONFIGURATION-INTERACTION; ULTRAFAST SCIENCE; EXCITED-STATES; EOM-CCSD; FIELDS; DYNAMICS; MOLECULES AB In this work, we present a study of H-2 and N-2 electron dynamics in intense laser fields with a specific focus on high-harmonic generation (HHG) spectroscopy. We performed this study with different theoretical methods: time-dependent configuration interaction singles (TD-CIS), perturbative doubles (TD-CIS(D)), time-dependent equation-of-motion coupled-cluster singles and doubles (TD-EOM-EE-CCSD) and time-dependent density-functional theory (TDDFT). All methods were implemented using a finite expansion in field-free eigenstates, and additionally direct propagation of the time-dependent density was employed for TDDFT. Within the sum over states approximation, the effect of electron correlation and the character of the atomic orbital basis set on the electron dynamics associated with HHG spectra is analysed. With respect to basis set, use of multiple sets of diffuse functions was found to be essential, while with respect to electron correlation, the treatment of double excitations in EOM-CCSD significantly affected the cutoff region of the HHG spectrum. With TDDFT, we also compared direct propagation against finite eigenstate expansion, and found a dramatic effect associated with the incorrect long-range potential in TDLDA. This permitted us to discuss the importance of correct behaviour of the long-range potential in HHG spectroscopy. C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Department of Energy through USXL at Lawrence Berkeley National Laboratory FX We wish to thank K. D. Closser and D. Lambrecht for helpful discussions. Funding for this research has been provided by the Department of Energy through the USXL program at Lawrence Berkeley National Laboratory. NR 78 TC 15 Z9 15 U1 0 U2 15 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2012 VL 110 IS 9-10 SI SI BP 909 EP 923 DI 10.1080/00268976.2012.675448 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 948AB UT WOS:000304474700036 ER PT J AU Knight, C Voth, GA AF Knight, Chris Voth, Gregory A. TI Coarse-graining away electronic structure: a rigorous route to accurate condensed phase interaction potentials SO MOLECULAR PHYSICS LA English DT Article DE coarse-graining; electronic structure; hydroxide; force-matching ID INITIO MOLECULAR-DYNAMICS; FORCE-MATCHING METHOD; LIPID-BILAYER; DENSITY; SIMULATIONS; SYSTEMS; MODEL; WATER; EFFICIENT; PROTON AB The molecular simulation of condensed phase systems with electronic structure methods can be prohibitively expensive if the length and time scales necessary to observe the desired chemical phenomena are too large. One solution is to map the results of a representative electronic structure simulation onto a computationally more efficient model that reproduces the original calculation, while allowing for statistical sampling relevant to the required length and time scales. The statistical mechanical multiscale coarse-graining procedure is one methodology in which a model can be developed by integrating over the subset of fast degrees of freedom to construct a reduced representation of the original system that reproduces thermodynamic, and in some instances dynamic, properties. The coarse-graining away of electronic structure is one application of this general method, wherein the electronic degrees of freedom are integrated out and the full dimensionality of the system is mapped to that of only the nuclei. The forces on the nuclei in this reduced representation are obtained from a variational force-matching procedure applied to the Hellman-Feynman forces of the original full electron + nuclear system. This work discusses the coarse-graining procedure and its application to ab initio molecular dynamics simulations of the aqueous hydroxide ion. C1 [Knight, Chris; Voth, Gregory A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Voth, Gregory A.] Univ Chicago, James Franck Inst, Dept Chem, Inst Biophys Dynam, Chicago, IL 60637 USA. [Voth, Gregory A.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. RP Voth, GA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gavoth@uchicago.edu RI Knight, Christopher/E-5570-2013 FU National Science Foundation [CHE-1036464]; U.S. Department of Energy [DE-AC02-06CH11357]; Argonne Computational Postdoctoral Fellowship; DOD at the Navy; Engineer Research and Development Center; Air Force Research Laboratory DOD Supercomputing Resource Centers; National Science Foundation by Texas Advanced Computing Center [TG-MCA94P017] FX Portions of this research were supported by the National Science Foundation (CHE-1036464), the U.S. Department of Energy under contract DE-AC02-06CH11357, and an Argonne Computational Postdoctoral Fellowship. This work was supported in part by a grant of computer time from the DOD High Performance Computing Modernization Program at the Navy, Engineer Research and Development Center, and Air Force Research Laboratory DOD Supercomputing Resource Centers. This research was also supported in part by the National Science Foundation Teragrid computing resources provided by the Texas Advanced Computing Center under grant number TG-MCA94P017. The authors thank Gerrick Lindberg and Lanyuan Lu for helpful discussions and comments on the manuscript. NR 43 TC 7 Z9 7 U1 1 U2 17 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2012 VL 110 IS 9-10 SI SI BP 935 EP 944 DI 10.1080/00268976.2012.668621 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 948AB UT WOS:000304474700038 ER PT J AU Bachand, M Bachand, GD AF Bachand, Marlene Bachand, George D. TI Effects of potential environmental interferents on kinesin-powered molecular shuttles SO NANOSCALE LA English DT Article ID GLIDING MICROTUBULES; HUMIC SUBSTANCES; ALKALINE PH; IN-VITRO; PROTEIN; TRANSPORT; STABILITY; DRIVEN; CARGO; CONFORMATION AB Biomolecular motor-powered active transport represents an alternate means for analyte processing in nanoscale biosensors and bioanalytical devices. For example, a prototype "smart dust" biosensor has recently been reported in which the motor protein kinesin processes antibody-functionalized microtubules (MTs) to capture and separate optically tagged protein analytes. A potential limitation of this technology, however, involves the inhibition of transport function by interfering compounds that may be present in raw samples. Here we characterized the response of kinesin-MT transport to a range of potential interferents including solvents, acids, oxidizers, and environmental contaminants. The results of kinesin motility assays suggest that, among the tested interferents, only acetic acid and sodium hypochlorite adversely affected MT transport, primarily due to depolymerization of MT filaments. While negative effects were not observed for the remaining compounds tested, enhancement in motility was observed in the presence of acetone, antifreeze, and organic matter. Overall, the data suggest that kinesin-MT transport is resilient against a variety of common interferents, but primarily susceptible to failure due to significant changes in pH or the presence of an oxidizer. C1 [Bachand, George D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Bachand, Marlene] Sandia Natl Labs, Nanobiol Dept, Albuquerque, NM 87185 USA. RP Bachand, GD (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800,MS 1303, Albuquerque, NM 87185 USA. EM gdbacha@sandia.gov OI Bachand, George/0000-0002-3169-9980 FU Defense Advanced Research Projects Agency; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC0203010]; Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Darryl Sasaki and Erik Spoerke for helpful discussion and comments on this manuscript, and Dr Joe Howard for generously providing the Drosophila kinesin expression clone. This research was supported by the Defense Advanced Research Projects Agency (M. B.) and U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, Project KC0203010 (G. D. B.). This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 40 TC 4 Z9 4 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2012 VL 4 IS 12 BP 3706 EP 3710 DI 10.1039/c2nr30570d PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 950RP UT WOS:000304666700019 PM 22585042 ER PT J AU Li, MM Kirk, MA Baldo, PM Xu, DH Wirth, BD AF Li, Meimei Kirk, M. A. Baldo, P. M. Xu, Donghua Wirth, B. D. TI Study of defect evolution by TEM with in situ ion irradiation and coordinated modeling SO PHILOSOPHICAL MAGAZINE LA English DT Article DE TEM with in situ ion irradiation; coordinated modeling; defect evolution; electron tomography ID TRANSMISSION ELECTRON-MICROSCOPY; RADIATION-DAMAGE; DIFFUSION PROFILES; TENSILE PROPERTIES; MOLYBDENUM; COPPER; FE; MICROSTRUCTURE; ACCUMULATION; TEMPERATURE AB The paper describes a novel transmission electron microscopy (TEM) experiment with in situ ion irradiation designed to improve and validate a computer model. TEM thin foils of molybdenum were irradiated in situ by 1 MeV Kr ions up to similar to 0.045 displacements per atom (dpa) at 80 degrees C at three dose rates -5 x 10(-6), 5 x 10(-5), and 5 x 10(-4) dpa/s - at the Argonne IVEMTandem Facility. The low-dose experiments produced visible defect structure in dislocation loops, allowing accurate, quantitative measurements of defect number density and size distribution. Weak beam darkfield plane-view images were used to obtain defect density and size distribution as functions of foil thickness, dose, and dose rate. Diffraction contrast electron tomography was performed to image defect clusters through the foil thickness and measure their depth distribution. A spatially dependent cluster dynamic model was developed explicitly to model the damage by 1 MeV Kr ion irradiation in an Mo thin foil with temporal and spatial dependence of defect distribution. The set of quantitative data of visible defects was used to improve and validate the computer model. It was shown that the thin foil thickness is an important variable in determining the defect distribution. This additional spatial dimension allowed direct comparison between the model and experiments of defect structures. The defect loss to the surfaces in an irradiated thin foil was modeled successfully. TEM with in situ ion irradiation of Mo thin foils was also explicitly designed to compare with neutron irradiation data of the identical material that will be used to validate the model developed for thin foils. C1 [Li, Meimei] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Kirk, M. A.; Baldo, P. M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Xu, Donghua; Wirth, B. D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. RP Li, MM (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mli@anl.gov RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU U.S. Department of Energy, Office of Nuclear Energy and Office of Sciences [DE-AC02-06CH11357]; Argonne National Laboratory; U.S. Department of Energy, Office of Fusion Energy Sciences [DE-FG02-04GR54750]; U.S. Department of Energy, Office of Nuclear Engineering under the Nuclear Engineering Research Initiative Consortium (NERIC) [DE-FG07-07ID14894] FX The material was provided by Oak Ridge National Laboratory. The authors would like to thank Raymond Birtcher for his help with data analysis. The important assistance of Dennis Graham and Bryan Miller in the group of Professor Ian Robertson at University of Illinois is gratefully acknowledged. The research was sponsored by the U.S. Department of Energy, Office of Nuclear Energy and Office of Sciences, under Contract DE-AC02-06CH11357 with Argonne National Laboratory, operated by UChicago Argonne, LLC. D. Xu and B. D. Wirth acknowledge support by the U.S. Department of Energy, Office of Fusion Energy Sciences under grant DE-FG02-04GR54750 and the U.S. Department of Energy, Office of Nuclear Engineering under the Nuclear Engineering Research Initiative Consortium Program (NERIC) Award Number DE-FG07-07ID14894. NR 43 TC 33 Z9 33 U1 2 U2 51 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2012 VL 92 IS 16 BP 2048 EP 2078 DI 10.1080/14786435.2012.662601 PG 31 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 947VZ UT WOS:000304462800004 ER PT J AU Bhattacharyya, D Dickerson, P Odette, GR Maloy, SA Misra, A Nastasi, MA AF Bhattacharyya, D. Dickerson, P. Odette, G. R. Maloy, S. A. Misra, A. Nastasi, M. A. TI On the structure and chemistry of complex oxide nanofeatures in nanostructured ferritic alloy U14YWT SO PHILOSOPHICAL MAGAZINE LA English DT Article DE oxide dispersion strengthened steels; nanostructured ferritic alloys; TEM; yttrium-titanium oxide precipitates ID SITU HELIUM IMPLANTER; MARTENSITIC STEELS; RADIATION-DAMAGE; ODS PARTICLES; ENERGY; STABILITY; STRENGTH; MA957 AB The remarkable radiation damage resistance of nanostructured ferritic alloys (NFAs) is attributed to the large numbers of matrix nanofeatures (NFs) of various types, which can enhance the recombination of displacement defects and trap transmutant helium in fine scale bubbles. Characterizing the chemistry, crystallographic structure and orientation relationships of the NFs is critical to understanding how they enhance the radiation damage resistance of NFAs. Conventional and high-resolution transmission electron microscopy and energy-dispersive spectroscopy were used to characterize the various types of NF and larger oxide phases in a model 14Cr-3 W-0.4Ti-0.25Y(2)O(3) NFA (14YWT) hot isostatic pressed (HIP-ed) at 1150 degrees C. Large CrTiO3 precipitates (50-300 nm) and small diffracting NFs (<5 nm) were found in this alloy. One major new result is the observation of an additional type of nanofeature (10-50 nm), ortho-rhombic in structure, with a square center cross-section, which constitutes a new kind of Y-Ti-oxide phase with lattice parameters different from those of known Y and Ti complex oxides. The interfaces of these particles seem to be semicoherent, while manifesting a possible orientation relationship with the BCC matrix. The ratio of Y to Ti varies between <1 and 2 for these larger NFs. C1 [Bhattacharyya, D.; Misra, A.; Nastasi, M. A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Dickerson, P.] Los Alamos Natl Lab, Div Met, Los Alamos, NM 87545 USA. [Odette, G. R.] Univ Calif Santa Barbara, Dept Mech Engn, Santa Barbara, CA 93106 USA. RP Bhattacharyya, D (reprint author), ANSTO, Inst Mat Engn, Lucas Heights, NSW 2234, Australia. EM dhriti1@gmail.com RI Misra, Amit/H-1087-2012; Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 FU Los Alamos National Laboratory LDRD; DOE Offices of Fusion Energy Sciences and Nuclear Energy FX The authors would like to thank Dr Longzhou Ma at UNLV for his kind permission to use the TEM at the Harry Reid Environmental Center when needed. The many helpful discussions with Professor J.P. Hirth are also gratefully acknowledged. This TEM work at LANL was funded by Los Alamos National Laboratory LDRD. The alloy development and characterization studies carried out at UCSB were previously supported by the DOE Offices of Fusion Energy Sciences and Nuclear Energy. NR 26 TC 16 Z9 18 U1 0 U2 27 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2012 VL 92 IS 16 BP 2089 EP 2107 DI 10.1080/14786435.2012.662760 PG 19 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 947VZ UT WOS:000304462800006 ER PT J AU Stolee, JA Walker, BN Zorba, V Russo, RE Vertes, A AF Stolee, Jessica A. Walker, Bennett N. Zorba, Vassilia Russo, Richard E. Vertes, Akos TI Laser-nanostructure interactions for ion production SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID DESORPTION/IONIZATION-MASS-SPECTROMETRY; LATTICE THERMAL-CONDUCTIVITY; ATMOSPHERIC-PRESSURE DESORPTION/IONIZATION; ABLATION ELECTROSPRAY-IONIZATION; INDIVIDUAL SILICON NANOWIRES; SURFACE-PLASMON RESONANCE; INTERNAL ENERGY-TRANSFER; DESORPTION-IONIZATION; POROUS SILICON; GOLD NANOPARTICLES AB Interactions between pulsed laser radiation and nanostructured materials, with dimensions ranging from 1 nm to 500 nm, can result in enhanced desorption and ionization of organic and biomolecular adsorbates. When the critical dimensions of the nanostructures fall below the characteristic lengths for the involved transport processes, novel regimes of ion production are observed. Systems with dimensions commensurate with the wavelength of the laser radiation are the basis of photonic ion sources with unique properties, including polarization dependent ion yields and fragmentation. The main characteristics of these systems are often governed by altered modes of transport, e. g., ballistic vs. diffusive, energy confinement, plasmon resonances, and local field enhancements. Some structures offer control over the internal energy and the active fragmentation channels for the produced ions. Emerging applications of photonic ion sources in mass spectrometry benefit from ultrahigh sensitivity, a wide dynamic range for detection and quantitation, and a broad coverage of adsorbates ranging from small organic molecules to biopolymers, as well as to highly complex samples like single cells. C1 [Stolee, Jessica A.; Walker, Bennett N.; Vertes, Akos] George Washington Univ, Dept Chem, Washington, DC 20052 USA. [Zorba, Vassilia; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Vertes, A (reprint author), George Washington Univ, Dept Chem, Washington, DC 20052 USA. EM vertes@gwu.edu RI Vertes, Akos/B-7159-2008; Zorba, Vassilia/C-4589-2015; OI Vertes, Akos/0000-0001-5186-5352; WALKER, BENNETT/0000-0003-0221-1904 FU Chemical Sciences, Geosciences and Biosciences Division within the Office of Basic Energy Sciences of the U.S. Department of Energy [DE-FG02-01ER15129]; Protea Biosciences, Inc.; Department of Energy; George Washington University; Achievement Rewards for College Scientists Foundation, Inc., (ARCS) FX The authors are grateful for the financial support from the Chemical Sciences, Geosciences and Biosciences Division within the Office of Basic Energy Sciences of the U.S. Department of Energy (DE-FG02-01ER15129) and from Protea Biosciences, Inc. Support from the Department of Energy does not constitute an endorsement of the views expressed in the article. Funding by the George Washington University Selective Excellence Funds and scholarships from the Achievement Rewards for College Scientists Foundation, Inc., (ARCS) to J.A.S. and B.N.W. are also acknowledged. NR 204 TC 36 Z9 36 U1 2 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 24 BP 8453 EP 8471 DI 10.1039/c2cp00038e PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 949VX UT WOS:000304605600001 PM 22415633 ER PT J AU Mehmood, F Rankin, RB Greeley, J Curtiss, LA AF Mehmood, Faisal Rankin, Rees B. Greeley, Jeffrey Curtiss, Larry A. TI Trends in methanol decomposition on transition metal alloy clusters from scaling and Bronsted-Evans-Polanyi relationships SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; THERMAL-DESORPTION; OXYGEN REDUCTION; HETEROGENEOUS CATALYSIS; ELECTRONIC-STRUCTURE; PLATINUM CLUSTERS; PARTIAL OXIDATION; CARBON-MONOXIDE; ADSORPTION; SURFACE AB A combination of first principles Density Functional Theory calculations and thermochemical scaling relationships are employed to estimate the thermochemistry and kinetics of methanol decomposition on unsupported subnanometer metal clusters. The approach uses binding energies of various atomic and molecular species, determined on the pure metal clusters, to develop scaling relationships that are then further used to estimate the methanol decomposition thermodynamics for a series of pure and bimetallic clusters with four atoms per cluster. Additionally, activation energy barriers are estimated from Bronsted-Evans-Polanyi plots relating transition and final state energies on these clusters. The energetic results are combined with a simple, microkinetically-inspired rate expression to estimate reaction rates as a function of important catalytic descriptors, including the carbon and atomic oxygen binding energies to the clusters. Based on these analyses, several alloy clusters are identified as promising candidates for the methanol decomposition reaction. C1 [Rankin, Rees B.; Greeley, Jeffrey; Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Mehmood, Faisal; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Greeley, J (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM jgreeley@anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC0206CH11357]; Department of Energy's Office of Biological and Environmental Research FX This work, including efforts under the Hydrogen Fuel Initiative, a DOE Early Career Grant (J.G.), and use of the Center for Nanoscale Materials, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC0206CH11357. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We also acknowledge computer time from the Argonne National Laboratory Computing Resource Center (LCRC). NR 65 TC 11 Z9 11 U1 5 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 24 BP 8644 EP 8652 DI 10.1039/c2cp00052k PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 949VX UT WOS:000304605600022 PM 22588638 ER PT J AU Sangoro, JR Mierzwa, M Iacob, C Paluch, M Kremer, F AF Sangoro, J. R. Mierzwa, M. Iacob, C. Paluch, M. Kremer, F. TI Brownian dynamics determine universality of charge transport in ionic liquids SO RSC ADVANCES LA English DT Article ID GLASS-FORMING LIQUIDS; DISORDERED SOLIDS; DIPOLAR RELAXATIONS; AC CONDUCTION; COLLOQUIUM; DIFFUSION; MOTION AB Broadband dielectric spectroscopy is employed to investigate charge transport in a variety of glass-forming ionic liquids over wide frequency, temperature and pressure ranges. Using a combination of Einstein, Einstein-Smoluchowski, and Langevin relations, the observed universal scaling of charge transport in ionic liquids is traced back to the dominant role of Brownian dynamics. C1 [Sangoro, J. R.; Iacob, C.; Kremer, F.] Univ Leipzig, Inst Expt Phys 1, D-04103 Leipzig, Germany. [Mierzwa, M.; Paluch, M.] Silesian Univ, Katowice, Poland. [Sangoro, J. R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Sangoro, JR (reprint author), Univ Leipzig, Inst Expt Phys 1, Linnestr 5, D-04103 Leipzig, Germany. EM sangoro@physik.uni-leipzig.de RI Sangoro, Joshua/A-6573-2011; Iacob, Ciprian/Q-7812-2016 OI Sangoro, Joshua/0000-0002-5483-9528; FU Deutsche Forschungsgemeinschaft under the DFG [SPP 1191]; Polish State of Committee for Scientific Research [N N202 023440] FX Financial support from the Deutsche Forschungsgemeinschaft under the DFG SPP 1191 Priority Program on Ionic Liquids and Polish State of Committee for Scientific Research (grant no. N N202 023440) are gratefully acknowledged. NR 31 TC 7 Z9 7 U1 1 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2012 VL 2 IS 12 BP 5047 EP 5050 DI 10.1039/c2ra20560b PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 948ES UT WOS:000304487000007 ER PT J AU Serra-Crespo, P Stavitski, E Kapteijn, F Gascon, J AF Serra-Crespo, Pablo Stavitski, Eli Kapteijn, Freek Gascon, Jorge TI High compressibility of a flexible metal-organic framework SO RSC ADVANCES LA English DT Article ID HIGH-PRESSURE; CO2 ADSORPTION; PORE-SIZE; SEPARATION; MIL-53; CH4 AB The metal-organic framework NH2-MIL-53(In) shows a very high amorphization resistance (>20 GPa) together with a large compressibility (K-0 = 10.9 GPa). C1 [Serra-Crespo, Pablo; Kapteijn, Freek; Gascon, Jorge] Delft Univ Technol, NL-2628 BL Delft, Netherlands. [Stavitski, Eli] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Serra-Crespo, P (reprint author), Delft Univ Technol, Julianalaan 136, NL-2628 BL Delft, Netherlands. EM istavitski@bnl.gov; j.gascon@tudelft.nl RI Gascon, Jorge/E-8798-2010; Kapteijn, Frederik /F-2031-2010; Serra-Crespo, Pablo/A-3170-2012; Stavitski, Eli/C-4863-2009; Group, CE/C-3853-2009; Gascon, Joaquim/M-3598-2015; OI Gascon, Jorge/0000-0001-7558-7123; Kapteijn, Frederik /0000-0003-0575-7953; Gascon, Joaquim/0000-0002-5045-1585; Serra Crespo, Pablo/0000-0002-5106-0527 FU Dutch National Science Foundation (NWO-CW VENI); COMPRES, Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 10-43050]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX J.G. gratefully acknowledges the Dutch National Science Foundation (NWO-CW VENI) for financial support. We are grateful to Zhiqiang Chen for his help with XRD experiments. This research was partially supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 10-43050. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 26 TC 36 Z9 36 U1 5 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2012 VL 2 IS 12 BP 5051 EP 5053 DI 10.1039/c2ra20528a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 948ES UT WOS:000304487000008 ER PT S AU McDermott, G Le Gros, MA Larabell, CA AF McDermott, Gerry Le Gros, Mark A. Larabell, Carolyn A. BE Johnson, MA Martinez, TJ TI Visualizing Cell Architecture and Molecular Location Using Soft X-Ray Tomography and Correlated Cryo-Light Microscopy SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 SE Annual Review of Physical Chemistry LA English DT Review; Book Chapter DE fluorescence; localization; organelles; phenotype; reconstruction ID PROTEIN LOCALIZATION; BIOLOGICAL SPECIMENS; FLUORESCENT PROTEINS; SPATIAL-RESOLUTION; SINGLE MOLECULES; DRUG DISCOVERY; ULTRASTRUCTURE; INHERITANCE; PHOTONS; OPTICS AB Living cells are structured to create a range of microenvironments that support specific chemical reactions and processes. Understanding how cells function therefore requires detailed knowledge of both the subcellular architecture and the location of specific molecules within this framework. Here we review the development of two correlated cellular imaging techniques that fulfill this need. Cells are first imaged using cryogenic fluorescence microscopy to determine the location of molecules of interest that have been labeled with fluorescent tags. The same specimen is then imaged using soft X-ray tomography to generate a high-contrast, 3D reconstruction of the cells. Data from the two modalities are then combined to produce a composite, information-rich view of the cell. This correlated imaging approach can be applied across the spectrum of problems encountered in cell biology, from basic research to biotechnological and biomedical applications such as the optimization of biofuels and the development of new pharmaceuticals. C1 [McDermott, Gerry; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94158 USA. [McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Natl Ctr Xray Tomog, Adv Light Source, Berkeley, CA 94720 USA. [Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP McDermott, G (reprint author), Univ Calif San Francisco, Dept Anat, San Francisco, CA 94158 USA. EM Carolyn.Larabell@ucsf.edu FU NCRR NIH HHS [P41 RR019664, RR019664]; NIDA NIH HHS [DA030320, R01 DA030320] NR 57 TC 28 Z9 28 U1 1 U2 32 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0066-426X BN 978-0-8243-1063-9 J9 ANNU REV PHYS CHEM JI Annu. Rev. Phys. Chem. PY 2012 VL 63 BP 225 EP 239 DI 10.1146/annurev-physchem-032511-143818 PG 15 WC Chemistry, Physical SC Chemistry GA BAI05 UT WOS:000304203500012 PM 22242730 ER PT S AU Gao, F Goodman, DW AF Gao, Feng Goodman, D. Wayne BE Johnson, MA Martinez, TJ TI Model Catalysts: Simulating the Complexities of Heterogeneous Catalysts SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 SE Annual Review of Physical Chemistry LA English DT Review; Book Chapter DE surface science; heterogeneous catalysis; model catalyst; single crystal; oxide-supported nanoparticle ID SCANNING-TUNNELING-MICROSCOPY; ENERGY-LOSS SPECTROSCOPY; TEMPERATURE-PROGRAMMED DESORPTION; SUPPORTED RHODIUM CATALYSTS; TITANIUM-OXIDE FILMS; STABILIZED METAL-CLUSTERS; ELECTRON-BEAM LITHOGRAPHY; ULTRATHIN AL2O3 FILMS; CO-NO REACTIONS; THIN MGO FILMS AB Surface-science investigations have contributed significantly to heterogeneous catalysis in the past several decades. Fundamental studies of reactive systems on metal single crystals have aided researchers in understanding the effect of surface structure on catalyst reactivity and selectivity for a number of important reactions. Recently, model systems, consisting of metal clusters deposited on planar oxide surfaces, have facilitated the study of metal particle-size and support effects. These model systems not only are useful for carrying out kinetic investigations, but are also amenable to surface spectroscopic techniques, thus enabling investigations under realistic pressures and at working temperatures. By combining surface-science characterization methods with kinetic measurements under realistic working conditions, researchers are continuing to advance the molecular-level understanding of heterogeneous catalysis and are narrowing the pressure and material gap between model and real-world catalysts. C1 [Gao, Feng] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Goodman, D. Wayne] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. RP Gao, F (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. EM feng.gao@pnnl.gov NR 120 TC 41 Z9 41 U1 3 U2 102 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0066-426X BN 978-0-8243-1063-9 J9 ANNU REV PHYS CHEM JI Annu. Rev. Phys. Chem. PY 2012 VL 63 BP 265 EP 286 DI 10.1146/annurev-physchem-032511-143722 PG 22 WC Chemistry, Physical SC Chemistry GA BAI05 UT WOS:000304203500014 PM 22242729 ER PT J AU Hou, Y Alam, TM Rodriguez, MA Nyman, M AF Hou, Yu Alam, Todd M. Rodriguez, Mark A. Nyman, May TI Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions SO CHEMICAL COMMUNICATIONS LA English DT Article ID ION; NMR; CLUSTERS; KEGGIN; HETEROPOLYTUNGSTATES; HETEROPOLYNIOBATES; DECANIOBATE; CHEMISTRY; CATION; GA-69 AB Heteropolyanions, [GaNb18O54](15-) and [AlNb18O54](15-), have been synthesized and characterized. These represent the first examples of introducing group III elements into the heteropolyniobate family; achieved via compatible alkaline aqueous chemistry of group IIIA monomers and Nb-polyoxoanions. The open structure of the polyniobate results in expanded coordination of the tetrahedral Ga in aqueous medium. C1 [Hou, Yu; Alam, Todd M.; Rodriguez, Mark A.; Nyman, May] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdnyman@sandia.gov RI Hou, Yu/H-1121-2012 FU United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. We thank Reference Metals Co., Inc. (Bridgeville, PA) for the generous gift of hydrous niobium oxide. NR 32 TC 17 Z9 17 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 48 BP 6004 EP 6006 DI 10.1039/c2cc31284k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 945HL UT WOS:000304263600014 PM 22576837 ER PT J AU Zhang, CX Long, H Zhang, W AF Zhang, Chenxi Long, Hai Zhang, Wei TI A C-84 selective porphyrin macrocycle with an adaptable cavity constructed through alkyne metathesis SO CHEMICAL COMMUNICATIONS LA English DT Article ID FULLERENES; COMPLEXATION; SEPARATION; CHEMISTRY; C-70; C-60 AB A bisporphyrin macrocycle was constructed from a porphyrin-based diyne monomer in one step through alkyne metathesis. The fullerene binding studies (C-60, C-70 and C-84) showed the highest binding affinity of the macrocycle for C-84, which is in great contrast to its bisporphyrin four-armed cage analogue that showed the strongest binding with C-70. C1 [Zhang, Chenxi; Zhang, Wei] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Long, Hai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhang, W (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. EM wei.zhang@colorado.edu RI Long, Hai/C-5838-2015 FU National Science Foundation [DMR-1055705] FX We acknowledge National Science Foundation (DMR-1055705) for the funding support, and Dr Yinghua (Alice) Jin for the help with the manuscript preparation. NR 18 TC 21 Z9 22 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 49 BP 6172 EP 6174 DI 10.1039/c2cc32571c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 946OZ UT WOS:000304363500031 PM 22588578 ER PT J AU Klivansky, LM Hanifi, D Koshkakaryan, G Holycross, DR Gorski, EK Wu, Q Chai, MH Liu, Y AF Klivansky, Liana M. Hanifi, David Koshkakaryan, Gayane Holycross, Daniel R. Gorski, Ewa K. Wu, Qin Chai, Minghui Liu, Yi TI A complementary disk-shaped pi electron donor-acceptor pair with high binding affinity SO CHEMICAL SCIENCE LA English DT Article ID DENSITY-FUNCTIONAL THEORY; DISCOTIC LIQUID-CRYSTALS; IONIC PHASE-TRANSITION; CHARGE-TRANSFER; DIIMIDE DERIVATIVES; MOLECULAR DESIGN; AQUEOUS-SOLUTION; HETERO-DUPLEXES; CROWN-ETHERS; COMPLEX AB Hexaazatriphenylene triimides (HAT) have been shown to be a novel class of disk-shaped pi electron acceptors that pair with donors with complementary shape and electron demands, such as triphenylene (TP) derivatives. The donor-acceptor (DA) pair forms a strong charge-transfer complex in CH2Cl2 with an association constant of 2.6 X 10(4)M(-1), which is remarkable for a recognition system that is solely based on electrostatic interactions between two p systems. NMRstudies, along with molecular modelling, have revealed a complementary charge distribution and an "eclipsed" conformation in the DA complex. The strong DA interaction results in extended alternating DA stacks in the thin film and mesophases. C1 [Holycross, Daniel R.; Gorski, Ewa K.; Chai, Minghui] Cent Michigan Univ, Dept Chem, Mt Pleasant, MI 48859 USA. [Klivansky, Liana M.; Hanifi, David; Koshkakaryan, Gayane; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Wu, Qin] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Chai, MH (reprint author), Cent Michigan Univ, Dept Chem, Mt Pleasant, MI 48859 USA. EM qinwu@bnl.gov; chai1m@cmich.edu; yliu@lbl.gov RI Liu, yi/A-3384-2008; Wu, Qin/C-9483-2009 OI Liu, yi/0000-0002-3954-6102; Wu, Qin/0000-0001-6350-6672 FU Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886] FX This work was performed at the Molecular Foundry, and the X-ray scattering experiment was performed as a user project at the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, both supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The computational work was carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Science, under contract No. DE-AC02-98CH10886. We thank Dr Alexander Hexemer, Dr Eric Schaible and Mr. Steven Alvarez from ALS for their help with X-ray scattering experiments. NR 94 TC 14 Z9 14 U1 1 U2 60 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2012 VL 3 IS 6 BP 2009 EP 2014 DI 10.1039/c2sc20241g PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 946PL UT WOS:000304365000037 ER PT J AU Johnson, BM Katz, JI Schilling, O AF Johnson, Bryan M. Katz, Jonathan I. Schilling, Oleg TI A von Neumann-Smagorinsky turbulent transport model for stratified shear flows SO INTERNATIONAL JOURNAL OF COMPUTATIONAL FLUID DYNAMICS LA English DT Article DE stratified flow; shear flow; turbulence modelling; transport coefficients; turbulent diffusion ID LARGE-EDDY SIMULATIONS AB A simple subgrid turbulent diffusion model based on an analogy to the von Neumann-Richtmyer artificial viscosity is explored for use in modelling mixing in turbulent stratified shear flow. The model may be more generally applicable to multicomponent turbulent hydrodynamics and to subgrid turbulent transport of momentum, composition and energy. As in the case of the von Neumann artificial viscosity and many subgrid-scale models for large-eddy simulation, the turbulent diffusivity explicitly depends on the grid size and is not based on a quantitative model of the unresolved turbulence. In order to address the issue that it is often not known a priori when and where a flow will become turbulent, the turbulent diffusivity is set to zero when the flow is expected to be stable on the basis of a Richardson/Rayleigh-Taylor stability criterion, in analogy to setting the von Neumann artificial viscosity to zero in expanding flows. One-dimensional predictions of this model applied to a simple shear flow configuration are compared to those obtained using a K-e model. The density and velocity profiles predicted by both models are shown to be very similar. C1 [Johnson, Bryan M.; Katz, Jonathan I.; Schilling, Oleg] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Katz, Jonathan I.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Katz, Jonathan I.] Washington Univ, McDonnell Ctr Space Sci, St Louis, MO 63130 USA. [Katz, Jonathan I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Katz, JI (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM katz@wuphys.wustl.edu OI Schilling, Oleg/0000-0002-0623-2940 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396] FX We thank G. Dimonte, P. E. Dimotakis, R. A. Gore, L. G. Margolin, D. I. Meiron and G. B. Zimmerman for useful discussions. JIK thanks the Los Alamos National Laboratory and the Lawrence Livermore National Laboratory for hospitality. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by Los Alamos National Laboratory under contract DE-AC52-06NA25396. NR 31 TC 0 Z9 0 U1 0 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1061-8562 J9 INT J COMPUT FLUID D JI Int. J. Comput. Fluid Dyn. PY 2012 VL 26 IS 3 BP 173 EP 179 DI 10.1080/10618562.2012.670226 PG 7 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 945HX UT WOS:000304264800003 ER PT J AU Ritchie, B AF Ritchie, Burke TI General Solution of the Coulomb-Dirac Problem: Calculation of a Divergence-Free Lamb Shift SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 51st International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology and Pharmacology CY FEB 25-MAR 01, 2011 CL St Simons Isl, GA SP Univ Florida, John Wiley & Sons, AF off Sci Res (AFOSR), Army Res Off (ARO), Dept Energy (DOE), Off Naval Res (ONR), Q-Chem, Royal Soc Chem, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Off Res & Grad Programs, Drs Andrew & Anne McCammon, Quantum Theory Project DE general solution; Dirac; Coulomb ID EQUATION-OF-MOTION; PHOTON; MAXWELL AB Paul Dirac's time-dependent equation is inferred from the scalar product of an electron's four-momentum and an electromagnetic four-potential on identifying an electromagnetic carrier-wave energy with the electron's rest-mass energy (Maxwell-Dirac equivalency). Dirac's Schroedinger-like temporally harmonic solution is not the general solution to his time-dependent equation, because it constrains all four components of his vector wave function to oscillate in time at a single frequency. In fact, it is equivalent to an approximation method known as adiabatic elimination, which is widely used in the optical-physics literature to solve temporally coupled equations. The general time-dependent solution for the Coulomb problem includes coupled positive-and negative-energy states whose wave function is a mixture of bound and unbound components. The Maxwell-Dirac equivalency permits the unbound component, which is known as Zitterbewegung in the free-elecron problem, to be interpreted as a photonic component, which conserves energy for a ground state in which the electron simultaneously occupies two states whose separation is of order 2mc(2). Equations of motion for a photon, which are formed from the scalar product of a photon's four-momentum and an electromagnetic four-potential, are also presented and used to calculate a divergence-free Lamb shift. Finally, Dirac's general time-dependent solution is shown to contain subatomic bound states for the Coulomb problem, even though such states are forbidden in Dirac's standard solution. These states exist for an electron, whose positive-(negative-) energy motion is attractive (repulsive), or for a positron, whose positive-(negative-) energy motion is repulsive (attractive), respectively. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 112: 5-15, 2012 C1 [Ritchie, Burke] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ritchie, Burke] Livermore Software Technol Corp, Livermore, CA 94550 USA. RP Ritchie, B (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ritchie1@llnl.gov NR 16 TC 0 Z9 0 U1 1 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD JAN PY 2012 VL 112 IS 1 SI SI BP 5 EP 15 DI 10.1002/qua.23093 PG 11 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 947DA UT WOS:000304405800002 ER PT J AU Zhang, XG Xiang, T AF Zhang, X. -G. Xiang, T. TI Tunable Coulomb Blockade and Giant Coulomb Blockade Magnetoresistance in a Double Quantum Dot System SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 51st International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology and Pharmacology CY FEB 25-MAR 01, 2011 CL St Simons Isl, GA SP Univ Florida, John Wiley & Sons, AF off Sci Res (AFOSR), Army Res Off (ARO), Dept Energy (DOE), Off Naval Res (ONR), Q-Chem, Royal Soc Chem, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Off Res & Grad Programs, Drs Andrew & Anne McCammon, Quantum Theory Project DE coulomb blockade; magnetoresistance; quantum dot; tunneling ID TRANSPORT AB We propose a Hubbard model to describe the tunneling effect of electrons in a double quantum dot system connected in the parallel circuit configuration to electrodes. The change in the interdot coupling is shown to dramatically influence the Coulomb blockade (CB) properties. For magnetic double dots, the interdot coupling can be tuned by the external magnetic field, leading to a giant CB magnetoresistance. Possible detection of this effect in organic magnetic molecular systems is discussed. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 112: 28-32, 2012* C1 [Zhang, X. -G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Zhang, X. -G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Xiang, T.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Xiang, T.] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China. RP Zhang, XG (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM xgz@ornl.gov NR 18 TC 2 Z9 2 U1 1 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD JAN PY 2012 VL 112 IS 1 SI SI BP 28 EP 32 DI 10.1002/qua.23196 PG 5 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 947DA UT WOS:000304405800004 ER PT J AU Yao, YX Wang, CZ Ho, KM AF Yao, Y. X. Wang, C. Z. Ho, K. M. TI The Benchmark of Gutzwiller Density Functional Theory in Hydrogen Systems SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 51st International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology and Pharmacology CY FEB 25-MAR 01, 2011 CL St Simons Isl, GA SP Univ Florida, John Wiley & Sons, AF off Sci Res (AFOSR), Army Res Off (ARO), Dept Energy (DOE), Off Naval Res (ONR), Q-Chem, Royal Soc Chem, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Off Res & Grad Programs, Drs Andrew & Anne McCammon, Quantum Theory Project DE density functional theory; Gutzwiller approximation; static correlation equal; first-principles; electronic structure ID CORRELATION-ENERGY; TRANSITION-METALS; EXCHANGE; THERMOCHEMISTRY; APPROXIMATIONS; FERROMAGNETISM AB We propose an approximate form of the exchange-correlation energy functional for the Gutzwiller density functional theory. It satisfies certain physical constraints in both weak and strong electron correlation limits. We benchmark the Gutzwiller density functional approximation in the hydrogen systems, where the static correlation error is shown to be negligible. The good transferability is demonstrated by applications to the hydrogen molecule and some crystal structures. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112: 240-246, 2012 C1 [Yao, Y. X.; Wang, C. Z.; Ho, K. M.] Iowa State Univ, Ames Lab, US DOE, Dept Phys & Astron, Ames, IA 50011 USA. RP Yao, YX (reprint author), Iowa State Univ, Ames Lab, US DOE, Dept Phys & Astron, Ames, IA 50011 USA. EM ykent@iastate.edu NR 28 TC 4 Z9 4 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0020-7608 EI 1097-461X J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD JAN PY 2012 VL 112 IS 1 SI SI BP 240 EP 246 DI 10.1002/qua.23238 PG 7 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 947DA UT WOS:000304405800027 ER PT J AU Choi, J Dixon, KR Wick, DV Bagwell, BE Soehnel, GH Clark, B AF Choi, Junoh Dixon, Kevin R. Wick, David V. Bagwell, Brett E. Soehnel, Grant H. Clark, Brian TI Iris imaging system with adaptive optical elements SO JOURNAL OF ELECTRONIC IMAGING LA English DT Article ID RECOGNITION AB Iris recognition utilizes distinct patterns found in the human iris to perform identification. Image acquisition is a critical first step toward successful operation of iris recognition systems. However, the quality of iris images required by standard iris recognition algorithms puts stringent constraints on the imaging systems, which results in a constrained capture volume. We have incorporated adaptive optical elements to expand the capture volume of a 3-m stand-off iris recognition system. (c) 2012 SPIE and IS&T. [DOI: 10.1117/1.JEI.21.1.013004] C1 [Choi, Junoh; Dixon, Kevin R.; Wick, David V.; Bagwell, Brett E.; Soehnel, Grant H.; Clark, Brian] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Choi, J (reprint author), Sandia Natl Labs, POB 5800,MS 0406, Albuquerque, NM 87185 USA. EM jchoi@sandia.gov FU Sandia's Laboratory-Directed Research and Development Program FX We would like to acknowledge the Joint Service Small Arms Program at the Picatinny Arsenal (Eric Beckel, Terry Rice, and John Edwards) for their support in developing the Picatinny adaptive lens. The Sandia National Laboratories 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. This work was supported by Sandia's Laboratory-Directed Research and Development Program. NR 16 TC 2 Z9 2 U1 0 U2 3 PU IS&T & SPIE PI BELLINGHAM PA 1000 20TH ST, BELLINGHAM, WA 98225 USA SN 1017-9909 J9 J ELECTRON IMAGING JI J. Electron. Imaging PD JAN-MAR PY 2012 VL 21 IS 1 AR 013004 DI 10.1117/1.JEI.21.1.013004 PG 5 WC Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA 944HL UT WOS:000304189800016 ER PT J AU Andresen, GB Ashkezari, MD Baquero-Ruiz, M Bertsche, W Bowe, PD Butler, E Cesar, CL Chapman, S Charlton, M Deller, A Eriksson, S Fajans, J Friesen, T Fujiwara, MC Gill, DR Gutierrez, A Hangst, JS Hardy, WN Hayden, ME Humphries, AJ Hydomako, R Jenkins, MJ Jonsell, S Jorgensen, LV Kurchaninov, L Madsen, N McKenna, JTK Menary, S Nolan, P Olchanski, K Olin, A Povilus, A Pusa, P Robicheaux, F Sampson, J Sarid, E Seddon, D el Nasr, SS Silveira, DM So, C Storey, JW Thompson, RI Thornhill, J Wells, D van der Werf, DP Wurtele, JS Yamazaki, Y AF Andresen, G. B. Ashkezari, M. D. Baquero-Ruiz, M. Bertsche, W. Bowe, P. D. Butler, E. Cesar, C. L. Chapman, S. Charlton, M. Deller, A. Eriksson, S. Fajans, J. Friesen, T. Fujiwara, M. C. Gill, D. R. Gutierrez, A. Hangst, J. S. Hardy, W. N. Hayden, M. E. Humphries, A. J. Hydomako, R. Jenkins, M. J. Jonsell, S. Jorgensen, L. V. Kurchaninov, L. Madsen, N. McKenna, J. T. K. Menary, S. Nolan, P. Olchanski, K. Olin, A. Povilus, A. Pusa, P. Robicheaux, F. Sampson, J. Sarid, E. Seddon, D. el Nasr, S. Seif Silveira, D. M. So, C. Storey, J. W. Thompson, R. I. Thornhill, J. Wells, D. van der Werf, D. P. Wurtele, J. S. Yamazaki, Y. TI The ALPHA-detector: Module Production and Assembly SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Particle tracking detectors; Large detector systems for particle and astroparticle physics; Particle tracking detectors (Solid-state detectors) ID ANTIHYDROGEN AB ALPHA is one of the experiments situated at CERN's Antiproton Decelerator (AD). A Silicon Vertex Detector (SVD) is placed to surround the ALPHA atom trap. The main purpose of the SVD is to detect and locate antiproton annihilation events by means of the emitted charged pions. The SVD system is presented with special focus given to the design, fabrication and performance of the modules. C1 [McKenna, J. T. K.; Nolan, P.; Pusa, P.; Sampson, J.; Seddon, D.; Thornhill, J.; Wells, D.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England. [Andresen, G. B.; Bowe, P. D.; Hangst, J. S.] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Ashkezari, M. D.; Hayden, M. E.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Baquero-Ruiz, M.; Chapman, S.; Fajans, J.; Povilus, A.; So, C.; Wurtele, J. S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bertsche, W.; Charlton, M.; Deller, A.; Eriksson, S.; Humphries, A. J.; Jenkins, M. J.; Jorgensen, L. V.; Madsen, N.; van der Werf, D. P.] Swansea Univ, Dept Phys, Swansea SA2 8PP, W Glam, Wales. [Cesar, C. L.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, Brazil. [Fajans, J.; Wurtele, J. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Friesen, T.; Fujiwara, M. C.; Hydomako, R.; Thompson, R. I.] Univ Calgary, Dept Phys & Astron, Calgary, AB T2N 1N4, Canada. [Fujiwara, M. C.; Gill, D. R.; Kurchaninov, L.; Olchanski, K.; Olin, A.; Storey, J. W.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Gutierrez, A.; Hardy, W. N.; el Nasr, S. Seif] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Jonsell, S.] Stockholm Univ, SE-10691 Stockholm, Sweden. [Menary, S.] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada. [Robicheaux, F.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Sarid, E.] Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. [Silveira, D. M.; Yamazaki, Y.] RIKEN, Atom Phys Lab, Wako, Saitama 3510198, Japan. [Yamazaki, Y.] Univ Tokyo, Grad Sch Arts & Sci, Tokyo 1538902, Japan. [Butler, E.] CERN, CH-1211 Geneva 23, Switzerland. RP Pusa, P (reprint author), Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England. EM petteri.pusa@cern.ch RI Fajans, Joel/J-6597-2016; Madsen, Niels/G-3548-2013; Bertsche, William/A-3678-2012; Jonsell, Svante/J-2251-2016; wurtele, Jonathan/J-6278-2016; Robicheaux, Francis/F-4343-2014; OI Andresen, Gorm Bruun/0000-0002-4820-020X; Fajans, Joel/0000-0002-4403-6027; van der Werf, Dirk/0000-0001-5436-5214; Madsen, Niels/0000-0002-7372-0784; Bertsche, William/0000-0002-6565-9282; Jonsell, Svante/0000-0003-4969-1714; wurtele, Jonathan/0000-0001-8401-0297; Robicheaux, Francis/0000-0002-8054-6040; Butler, Eoin/0000-0003-0947-7166 FU CNPq; FINEP/RENAFAE (Brazil); NSERC; NRC/TRIUMF; AIF; FQRNT (Canada); FNU (Denmark); ISF (Israel); MEXT (Japan); VR (Sweden); EPSRC; Royal Society; Leverhulme Trust (UK); DOE; NSF (USA) FX This work was supported in part by CNPq, FINEP/RENAFAE (Brazil), NSERC, NRC/TRIUMF, AIF, FQRNT (Canada), FNU (Denmark), ISF (Israel), MEXT (Japan), VR (Sweden), EPSRC, the Royal Society and the Leverhulme Trust (UK) and DOE, NSF (USA). NR 5 TC 6 Z9 6 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR C01051 DI 10.1088/1748-0221/7/01/C01051 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200051 ER PT J AU Bartolini, R Clarke, C Delerue, N Doucas, G Reichold, A AF Bartolini, R. Clarke, C. Delerue, N. Doucas, G. Reichold, A. TI Electron bunch profile reconstruction in the few fs regime using coherent Smith-Purcell radiation SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Beam-line instrumentation (beam position and profile monitors; beam-intensity monitors; bunch length monitors); Accelerator Subsystems and Technologies ID ACCELERATOR AB Advanced accelerators for fourth generation light sources based on high brightness linacs or laser-driven wakefield accelerators will operate with intense, highly relativistic electron bunches that are only a few fs long. Diagnostic techniques for the determination of temporal profile of such bunches are required to be non invasive, single shot, economic and with the required resolution in the fs regime. The use of a radiative process such as coherent Smith-Purcell radiation (SPR), is particularly promising with this respect. In this technique the beam is made to radiate a small amount of electromagnetic radiation and the temporal profile is reconstructed from the measured spectral distribution of the radiation. We summarise the advantages of SPR and present the design parameters and preliminary results of the experiments at the FACET facility at SLAC. We also discuss a new approach to the problem of the recovery of the 'missing phase', which is essential for the accurate reconstruction of the temporal bunch profile. C1 [Bartolini, R.; Doucas, G.; Reichold, A.] Univ Oxford, John Adams Inst, Oxford OX1 3RH, England. [Bartolini, R.] Diamond Light Sources, Chilton OX11 0DE, Oxon, England. [Clarke, C.] SLAC, Menlo Pk, CA 94025 USA. Univ Paris 11, LAL, F-91898 Orsay, France. RP Bartolini, R (reprint author), Univ Oxford, John Adams Inst, Keble Rd, Oxford OX1 3RH, England. EM riccardo.bartolini@physics.ox.ac.uk RI bartolini, riccardo/B-1021-2012 FU FACET team FX We would like to thank R. Tovey and K. Pattel for help in the initial stage of this investigation and the FACET team for the support during the experimental tests at SLAC. NR 18 TC 4 Z9 4 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR P01009 DI 10.1088/1748-0221/7/01/P01009 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200123 ER PT J AU Cardani, L Gironi, L Beeman, JW Dafinei, I Ge, Z Pessina, G Pirro, S Zhu, Y AF Cardani, L. Gironi, L. Beeman, J. W. Dafinei, I. Ge, Z. Pessina, G. Pirro, S. Zhu, Y. TI Performance of a large TeO2 crystal as a cryogenic bolometer in searching for neutrinoless double beta decay SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Cryogenic detectors; Calorimeters ID CUORICINO; DETECTORS; ARRAY; MASS AB Bolometers are ideal devices in the search for neutrinoless Double Beta Decay (0 nu DBD). Enlarging the mass of individual detectors would simplify the construction of a large experiment, but would also decrease the background per unit mass induced by alpha-emitters located close to the surfaces and background arising from external and internal gamma's. We present the very promising results obtained with a 2.13 kg TeO2 crystal. This bolometer, cooled down to a temperature of 10.5mK in a dilution refrigerator located deep underground in the Gran Sasso National Laboratories, represents the largest thermal detector ever operated. The detector exhibited an energy resolution spanning a range from 3.9 keV (at 145 keV) to 7.8 keV (at the 2615 gamma-line of Tl-208) FWHM. We discuss the decrease in the background per unit mass that can be achieved increasing the mass of a bolometer. C1 [Gironi, L.; Pessina, G.; Pirro, S.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Cardani, L.; Dafinei, I.] Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Gironi, L.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. [Beeman, J. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ge, Z.; Zhu, Y.] Chinese Acad Sci, Shanghai Inst Ceram, Shanghai 200050, Peoples R China. RP Pirro, S (reprint author), Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. EM Stefano.Pirro@mib.infn.it RI Gironi, Luca/P-2860-2016; OI Gironi, Luca/0000-0003-2019-0967; Cardani, Laura/0000-0001-5410-118X; Pessina, Gianluigi Ezio/0000-0003-3700-9757 NR 24 TC 6 Z9 6 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR P01020 DI 10.1088/1748-0221/7/01/P01020 PG 13 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200134 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hammer, J Hansel, S Hoch, M Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Krammer, M Liko, D Mikulec, I Pernicka, M Rahbaran, B Rohringer, H Schofbeck, R Strauss, J Taurok, A Teischinger, F Trauner, C Wagner, P Waltenberger, W Walzel, G Widl, E Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Bansal, S Benucci, L De Wolf, EA Janssen, X Luyckx, S Maes, T Mucibello, L Ochesanu, S Roland, B Rougny, R Selvaggi, M Van Haevermaet, H Van Mechelen, P Van Remortel, N Blekman, F Blyweert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Charaf, O Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hammad, GH Hreus, T Marage, PE Raval, A Thomas, L Vander Marcken, G Vander Velde, C Vanlaer, P Adler, V Cimmino, A Costantini, S Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Ryckbosch, D Thyssen, F Tytgat, M Vanelderen, L Verwilligen, P Walsh, S Zaganidis, N Basegmez, S Bruno, G Caudron, J Ceard, L Gil, EC De Jeneret, JD Delaere, C Favart, D Giammanco, A Gregoire, G Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Ovyn, S Pagano, D Pin, A Piotrzkowski, K Schul, N Beliy, N Caebergs, T Daubie, E Alves, GA Brito, L Damiao, DD Pol, ME Souza, MHG Alda, WL Carvalho, W Da Costa, EM Martins, CD De Souza, SF Figueiredo, DM Mundim, L Nogima, H Oguri, V Da Silva, WLP Santoro, A Do Amaral, SMS Sznajder, A Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PG Novaes, SF Padula, SS Darmenov, N Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Karadzhinova, A Kozhuharov, V Litov, L Mateev, M Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Ban, Y Guo, S Guo, Y Li, W Mao, Y Qian, SJ Teng, H Zhu, B Zou, W Cabrera, A Moreno, BG Rios, AAO Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Lelas, K Plestina, R Polic, D Puljak, I Antunovic, Z Dzelalija, M Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Morovic, S Attikis, A Galanti, M Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Kamel, AE Khalil, S Mahmoud, MA Radi, A Hektor, A Kadastik, M Muntel, M Raidal, M Rebane, L Tiko, A Azzolini, V Eerola, P Fedi, G Voutilainen, M Czellar, S Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Banzuzi, K Karjalainen, A Korpela, A Tuuva, T Sillou, D Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P De Monchenault, GH Jarry, P Locci, E Malcles, J Marionneau, M Millischer, L Rander, J Rosowsky, A Shreyber, I Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Broutin, C Busson, P Charlot, C Dahms, T Dobrzynski, L Elgammal, S de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Thiebaux, C Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Ferro, C Fontaine, JC Gele, D Goerlach, U Greder, S Juillot, P Karim, M Le Bihan, AC Mikami, Y Van Hove, P Fassi, F Mercier, D Baty, C Beauceron, S Beaupere, N Bedjidian, M Bondu, O Boudoul, G Boumediene, D Brun, H Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fay, J Gascon, S Ille, B Kurca, T Le Grand, T Lethuillier, M Mirabito, L Perries, S Sordini, V Tosi, S Tschudi, Y Verdier, P Viret, S Lomidze, D Anagnostou, G Beranek, S Edelhoff, M Feld, L Heracleous, N Hindrichs, O Jussen, R Klein, K Merz, J Mohr, N Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Weber, M Wittmer, B Zhukov, V Ata, M Dietz-Laursonn, E Erdmann, M Hebbeker, T Heidemann, C Hinzmann, A Hoepfner, K Klimkovich, T Klingebiel, D Kreuzer, P Lanske, D Lingemann, J Magass, C Merschmeyer, M Meyer, A Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Bontenackels, M Cherepanov, V Davids, M Flugge, G Geenen, H Giffels, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Linn, A Nowack, A Perchalla, L Pooth, O Rennefeld, J Sauerland, P Stahl, A Tornier, D Zoeller, MH Martin, MA Behrenhoff, W Behrens, U Bergholz, M Bethani, A Borras, K Cakir, A Campbell, A Castro, E Dammann, D Eckerlin, G Eckstein, D Flossdorf, A Flucke, G Geiser, A Hauk, J Jung, H Kasemann, M Katsas, P Kleinwort, C Kluge, H Knutsson, A Kramer, M Krucker, D Kuznetsova, E Lange, W Lohmann, W Lutz, B Mankel, R Marienfeld, M Melzer-Pellmann, IA Meyer, AB Mnich, J Mussgiller, A Olzem, J Petrukhin, A Pitzl, D Raspereza, A Rosin, M Schmidt, R Schoerner-Sadenius, T Sen, N Spiridonov, A Stein, M Tomaszewska, J Walsh, R Wissing, C Autermann, C Blobel, V Bobrovskyi, S Draeger, J Enderle, H Gebbert, U Gorner, M Hermanns, T Kaschube, K Kaussen, G Kirschenmann, H Klanner, R Lange, J Mura, B Naumannemme, S Nowak, F Pietsch, N Sander, C Schettler, H Schleper, P Schlieckau, E Schroder, M Schum, T Stadie, H Steinbruck, G Thomsen, J Barth, C Bauer, J Berger, J Buege, V Chwalek, T De Boer, W Dierlamm, A Dirkes, G Feindt, M Gruschke, J Hackstein, C Hartmann, F Heinrich, M Held, H Hoffmann, KH Honc, S Katkov, I Komaragiri, JR Kuhr, T Martschei, D Mueller, S Muller, T Niegel, M Oberst, O Oehler, A Ott, J Peiffer, T Quast, G Rabbertz, K Ratnikov, F Ratnikova, N Renz, M Rocker, S Saout, C Scheurer, A Schieferdecker, P Schilling, FP Schmanau, M Schott, G Simonis, HJ Stober, FM Troendle, D Wagner-Kuhr, J Weiler, T Zeise, M Ziebarth, EB Daskalakis, G Geralis, T Kesisoglou, S Kyriakis, A Loukas, D Manolakos, I Markou, A Markou, C Mavrommatis, C Ntomari, E Petrakou, E Gouskos, L Mertzimekis, TJ Panagiotou, A Saoulidou, N Stiliaris, E Evangelou, I Foudas, C Kokkas, P Manthos, N Papadopoulos, I Patras, V Triantis, FA Aranyi, A Bencze, G Boldizsar, L Hajdu, C Hidas, P Horvath, D Kapusi, A Krajczar, K Sikler, F Veres, GI Vesztergombi, G Beni, N Molnar, J Palinkas, J Szillasi, Z Veszpremi, V Karancsi, J Raics, P Trocsanyi, ZL Ujvari, B Beri, SB Bhatnagar, V Dhingra, N Gupta, R Jindal, M Kaur, M Kohli, JM Mehta, MZ Nishu, N Saini, LK Sharma, A Singh, AP Singh, J Singh, SP Ahuja, S Choudhary, BC Gupta, P Kumar, A Kumar, A Malhotra, S Naimuddin, M Ranjan, K Shivpuri, RK Banerjee, S Bhattacharya, S Dutta, S Gomber, B Jain, S Jain, S Khurana, R Sarkar, S Choudhury, RK Dutta, D Kailas, S Kumar, V Mehta, P Mohanty, AK Pant, LM Shukla, P Aziz, T Guchait, M Gurtu, A Maity, M Majumder, D Majumder, G Mathew, T Mazumdar, K Mohanty, GB Parida, B Saha, A Sudhakar, K Wickramage, N Banerjee, S Dugad, S Mondal, NK Arfaei, H Bakhshiansohi, H Etesami, SM Fahim, A Hashemi, M Hesari, H Jafari, A Khakzad, M Mohammadi, A Najafabadi, MM Mehdiabadi, SP Safarzadeh, B Zeinali, M Abbrescia, M Barbone, L Calabria, C Colaleo, A Creanza, D De Filippis, N De Palma, M Fiore, L Iaselli, G Lusito, L Maggi, G Maggi, M Manna, N Marangelli, B My, S Nuzzo, S Pacifico, N Pierro, GA Pompili, A Pugliese, G Romano, F Roselli, G Selvaggi, G Silvestris, L Trentadue, R Tupputi, S Zito, G Abbiendi, G Benvenuti, AC Bonacorsi, D Braibant-Giacomelli, S Brigliadori, L Capiluppi, P Castro, A Cavallo, FR Cuffiani, M Dallavalle, GM Fabbri, F Fanfani, A Fasanella, D Giacomelli, P Giunta, M Grandi, C Marcellini, S Masetti, G Meneghelli, M Montanari, A Navarria, FL Odorici, F Perrotta, A Primavera, F Rossi, AM Rovelli, T Siroli, G Travaglini, R Albergo, S Cappello, G Chiorboli, M Costa, S Potenza, R Tricomi, A Tuve, C Barbagli, G Ciulli, V Civinini, C D'Alessandro, R Focardi, E Frosali, S Gallo, E Gonzi, S Meschini, M Paoletti, S Sguazzoni, G Tropiano, A Benussi, L Bianco, S Colafranceschi, S Fabbri, F Fabbricatore, P Musenich, R Benaglia, A De Guio, F Di Matteo, L Gennai, S Ghezzi, A Malvezzi, S Martelli, A Massironi, A Menasce, D Moroni, L Paganoni, M Pedrini, D Ragazzi, S Redaelli, N Sala, S de Fatis, TT Buontempo, S Montoya, CAC Cavallo, N De Cosa, A Fabozzi, F Iorio, AOM Lista, L Merola, M Paolucci, P Azzi, P Bacchetta, N Bellan, P Bisello, D Branca, A Carlin, R Checchia, P Dorigo, T Dosselli, U Fanzago, F Gasparini, F Gasparini, U Gozzelino, A Lacaprara, S Lazzizzera, I Margoni, M Mazzucato, M Meneguzzo, AT Nespolo, M Perrozzi, L Pozzobon, N Ronchese, P Simonetto, F Torassa, E Tosi, M Vanini, S Zotto, P Zumerle, G Baesso, P Berzano, U Ratti, SP Riccardi, C Torre, P Vitulo, P Viviani, C Biasini, M Bilei, GM Caponeri, B Fano, L Lariccia, P Lucaroni, A Mantovani, G Menichelli, M Nappi, A Romeo, F Santocchia, A Taroni, S Valdata, M Azzurri, P Bagliesi, G Bernardini, J Boccali, T Broccolo, G Castaldi, R D'Agnolo, RT Dell'Orso, R Fiori, F Foa, L Giassi, A Kraan, A Ligabue, F Lomtadze, T Martini, L Messineo, A Palla, F Palmonari, F Segneri, G Serban, AT Spagnolo, P Tenchini, R Tonelli, G Venturi, A Verdini, PG Barone, L Cavallari, F Del Re, D Di Marco, E Diemoz, M Franci, D Grassi, M Longo, E Meridiani, P Nourbakhsh, S Organtini, G Pandolfi, F Paramatti, R Rahatlou, S Sigamani, M Amapane, N Arcidiacono, R Argiro, S Arneodo, M Biino, C Botta, C Cartiglia, N Castello, R Costa, M Demaria, N Graziano, A Mariotti, C Maselli, S Migliore, E Monaco, V Musich, M Obertino, MM Pastrone, N Pelliccioni, M Potenza, A Romero, A Ruspa, M Sacchi, R Sola, V Solano, A Staiano, A Pereira, AV Belforte, S Cossutti, F Della Ricca, G Gobbo, B Marone, M Montanino, D Penzo, A Heo, SG Nam, SK Chang, S Chung, J Kim, DH Kim, GN Kim, JE Kong, DJ Park, H Ro, SR Son, DC Son, T Kim, JY Kim, ZJ Song, S Jo, HY Choi, S Gyun, D Hong, B Jo, M Kim, H Kim, JH Kim, TJ Lee, KS Moon, DH Park, SK Seo, E Sim, KS Choi, M Kang, S Kim, H Park, C Park, IC Park, S Ryu, G Cho, Y Choi, Y Choi, YK Goh, J Kim, MS Lee, B Lee, J Lee, S Seo, H Yu, I Bilinskas, MJ Grigelionis, I Janulis, M Martisiute, D Petrov, P Polujanskas, M Sabonis, T Castilla-Valdez, H De La Cruz-Burelo, E Heredia-de La Cruz, I Lopez-Fernandez, R Villalba, RM Martinez-Ortega, J Sanchez-Hernandez, A Villasenor-Cendejas, LM Moreno, SC Valencia, FV Ibarguen, HAS Linares, EC Pineda, AM Reyes-Santos, MA Krofcheck, D Tam, J Butler, PH Doesburg, R Silverwood, H Ahmad, M Ahmed, I Ansari, MH Asghar, MI Hoorani, HR Khalid, S Khan, WA Khurshid, T Qazi, S Shah, MA Shoaib, M Brona, G Cwiok, M Dominik, W Doroba, K Kalinowski, A Konecki, M Krolikowski, J Frueboes, T Gokieli, R Gorski, M Kazana, M Nawrocki, K Romanowska-Rybinska, K Szleper, M Wrochna, G Zalewski, P Almeida, N Bargassa, P David, A Faccioli, P Parracho, PGF Gallinaro, M Musella, P Nayak, A Pela, J Ribeiro, PQ Seixas, J Varela, J Afanasiev, S Belotelov, I Bunin, P Gavrilenko, M Golutvin, I Kamenev, A Karjavin, V Kozlov, G Lanev, A Moisenz, P Palichik, V Perelygin, V Shmatov, S Smirnov, V Volodko, A Zarubin, A Golovtsov, V Ivanov, Y Kim, V Levchenko, P Murzin, V Oreshkin, V Smirnov, I Sulimov, V Uvarov, L Vavilov, S Vorobyev, A Vorobyev, A Andreev, Y Dermenev, A Gninenko, S Golubev, N Kirsanov, M Krasnikov, N Matveev, V Pashenkov, A Toropin, A Troitsky, S Epshteyn, V Erofeeva, M Gavrilov, V Kaftanov, V Kossov, M Krokhotin, A Lychkovskaya, N Popov, V Safronov, G Semenov, S Stolin, V Vlasov, E Zhokin, A Belyaev, A Boos, E Dubinin, M Dudko, L Ershov, A Gribushin, A Kodolova, O Lokhtin, I Markina, A Obraztsov, S Perfilov, M Petrushanko, S Sarycheva, L Savrin, V Snigirev, A Andreev, V Azarkin, M Dremin, I Kirakosyan, M Leonidov, A Mesyats, G Rusakov, SV Vinogradov, A Azhgirey, I Bayshev, I Bitioukov, S Grishin, V Kachanov, V Konstantinov, D Korablev, A Krychkine, V Petrov, V Ryutin, R Sobol, A Tourtchanovitch, L Troshin, S Tyurin, N Uzunian, A Volkov, A Adzic, P Djordjevic, M Krpic, D Milosevic, J Aguilar-Benitez, M Maestre, JA Arce, P Battilana, C Calvo, E Cerrada, M Llatas, MC Colino, N De La Cruz, B Peris, AD Pardos, CD Vazquez, DD Bedoya, CF Ramos, JPF Ferrando, A Flix, J Fouz, MC Garcia-Abia, P Lopez, OG Lopez, SG Hernandez, JM Josa, MI Merino, G Pelayo, JP Redondo, I Romero, L Santaolalla, J Soares, MS Willmott, C Albajar, C Codispoti, G de Troconiz, JF Cuevas, J Menendez, JF Folgueras, S Caballero, IG Iglesias, LL Garcia, JMV Cifuentes, JAB Cabrillo, IJ Calderon, A Chuang, SH Campderros, JD Felcini, M Fernandez, M Gomez, G Sanchez, JG Jorda, C Pardo, PL Virto, AL Marco, J Marco, R Rivero, CM Matorras, F Sanchez, FJM Gomez, JP Rodrigo, T Rodriguez-Marrero, AY Ruiz-Jimeno, A Scodellaro, L Sanudo, MS Vila, I Cortabitarte, RV Abbaneo, D Auffray, E Auzinger, G Baillon, P Ball, AH Barney, D Bell, AJ Benedetti, D Bernet, C Bialas, W Bloch, P Bocci, A Bolognesi, S Bona, M Breuker, H Bunkowski, K Camporesi, T Cerminara, G Christiansen, T Perez, JAC Cure, B D'Enterria, D De Roeck, A Di Guida, S Dupont-Sagorin, N Elliott-Peisert, A Frisch, B Funk, W Gaddi, A Georgiou, G Gerwig, H Gigi, D Gill, K Giordano, D Glege, F Garrido, RGR Gouzevitch, M Govoni, P Gowdy, S Guida, R Guiducci, L Hansen, M Hartl, C Harvey, J Hegeman, J Hegner, B Hoffmann, HF Innocente, V Janot, P Kaadze, K Karavakis, E Lecoq, P Lenzi, P Lourenco, C Maki, T Malberti, M Malgeri, L Mannelli, M Masetti, L Maurisset, A Mavromanolakis, G Meijers, F Mersi, S Meschi, E Moser, R Mozer, MU Mulders, M Nesvold, E Nguyen, M Orimoto, T Orsini, L Cortezon, EP Perez, E Petrilli, A Pfeiffer, A Pierini, M Pimia, M Piparo, D Polese, G Quertenmont, L Racz, A Reece, W Antunes, JR Rolandi, G Rommerskirchen, T Rovelli, C Rovere, M Sakulin, H Schafer, C Schwick, C Segoni, I Sharma, A Siegrist, P Silva, P Simon, M Sphicas, P Spiga, D Spiropulu, M Stoye, M Tsirou, A Vichoudis, P Wohri, HK Worm, SD Zeuner, WD Bertl, W Deiters, K Erdmann, W Gabathuler, K Horisberger, R Ingram, Q Kaestli, HC Konig, S Kotlinski, D Langenegger, U Meier, F Renker, D Rohe, T Sibille, J Bani, L Bortignon, P Caminada, L Casal, B Chanon, N Chen, Z Cittolin, S Dissertori, G Dittmar, M Eugster, J Freudenreich, K Grab, C Hintz, W Lecomte, P Lustermann, W Marchica, C del Arbol, PMR Milenovic, P Moortgat, F Nageli, C Nef, P Nessi-Tedaldi, F Pape, L Pauss, F Punz, T Rizzi, A Ronga, FJ Rossini, M Sala, L Sanchez, AK Sawley, MC Starodumov, A Stieger, B Takahashi, M Tauscher, L Thea, A Theofilatos, K Treille, D Urscheler, C Wallny, R Weber, M Wehrli, L Weng, J Aguilo, E Amsler, C Chiochia, V De Visscher, S Favaro, C Rikova, MI Jaeger, A Mejias, BM Otiougova, P Robmann, P Schmidt, A Snoek, H Chang, YH Chen, KH Kuo, CM Li, SW Lin, W Liu, ZK Lu, YJ Mekterovic, D Volpe, R Yu, SS Bartalini, P Chang, P Chang, YH Chang, YW Chao, Y Chen, KF Dietz, C Grundler, U Hou, WS Hsiung, Y Kao, KY Lei, YJ Lu, RS Shiu, JG Tzeng, YM Wan, X Wang, M Adiguzel, A Bakirci, MN Cerci, S Dozen, C Dumanoglu, I Eskut, E Girgis, S Gokbulut, G Hos, I Kangal, EE Topaksu, AK Onengut, G Ozdemir, K Ozturk, S Polatoz, A Sogut, K Cerci, DS Tali, B Topakli, H Uzun, D Vergili, LN Vergili, M Akin, IV Aliev, T Bilin, B Bilmis, S Deniz, M Gamsizkan, H Guler, AM Ocalan, K Ozpineci, A Serin, M Sever, R Surat, UE Yalvac, M Yildirim, E Zeyrek, M Deliomeroglu, M Demir, D Gulmez, E Isildak, B Kaya, M Kaya, O Ozbek, M Ozkorucuklu, S Sonmez, N Levchuk, L Bostock, F Brooke, JJ Cheng, TL Clement, E Cussans, D Frazier, R Goldstein, J Grimes, M Heath, GP Heath, HF Kreczko, L Metson, S Newbold, DM Nirunpong, K Poll, A Senkin, S Smith, VJ Basso, L Bell, KW Belyaev, A Brew, C Brown, RM Camanzi, B Cockerill, DJA Coughlan, JA Harder, K Harper, S Jackson, J Kennedy, BW Olaiya, E Petyt, D Radburnsmith, BC Shepherd-Themistocleous, CH Tomalin, IR Womersley, WJ Bainbridge, R Ball, G Ballin, J Beuselinck, R Buchmuller, O Colling, D Cripps, N Cutajar, M Davies, G Della Negra, M Ferguson, W Fulcher, J Futyan, D Gilbert, A Bryer, AG Hall, G Hatherell, Z Hays, J Iles, G Jarvis, M Karapostoli, G Lyons, L Magnan, AM Marrouche, J Mathias, B Nandi, R Nash, J Nikitenko, A Papageorgiou, A Pesaresi, M Petridis, K Pioppi, M Raymond, DM Rogerson, S Rompotis, N Rose, A Ryan, MJ Seez, C Sharp, P Sparrow, A Tapper, A Tourneur, S Acosta, MV Virdee, T Wakefield, S Wardle, N Wardrope, D Whyntie, T Barrett, M Chadwick, M Cole, JE Hobson, PR Khan, A Kyberd, P Leslie, D Martin, W Reid, ID Teodorescu, L Hatakeyama, K Liu, H Henderson, C Bose, T Jarrin, EC Fantasia, C Heister, A John, JS Lawson, P Lazic, D Rohlf, J Sperka, D Sulak, L Avetisyan, A Bhattacharya, S Chou, JP Cutts, D Ferapontov, A Heintz, U Jabeen, S Kukartsev, G Landsberg, G Luk, M Narain, M Nguyen, D Segala, M Sinthuprasith, T Speer, T Tsang, KV Breedon, R Breto, G Sanchez, MCD Chauhan, S Chertok, M Conway, J Conway, R Cox, PT Dolen, J Erbacher, R Houtz, R Ko, W Kopecky, A Lander, R Liu, H Mall, O Maruyama, S Miceli, T Nikolic, M Pellett, D Robles, J Rutherford, B Salur, S Searle, M Smith, J Squires, M Tripathi, M Sierra, RV Andreev, V Arisaka, K Cline, D Cousins, R Deisher, A Duris, J Erhan, S Farrell, C Hauser, J Ignatenko, M Jarvis, C Plager, C Rakness, G Schlein, P Tucker, J Valuev, V Babb, J Clare, R Ellison, J Gary, JW Giordano, F Hanson, G Jeng, GY Kao, SC Liu, H Long, OR Luthra, A Nguyen, H Paramesvaran, S Sturdy, J Sumowidagdo, S Wilken, R Wimpenny, S Andrews, W Branson, JG Cerati, GB Evans, D Golf, F Holzner, A Kelley, R Lebourgeois, M Letts, J Mangano, B Padhi, S Palmer, C Petrucciani, G Pi, H Pieri, M Ranieri, R Sani, M Sharma, V Simon, S Sudano, E Tadel, M Tu, Y Vartak, A Wasserbaech, S Wurthwein, F Yagil, A Yoo, J Barge, D Bellan, R Campagnari, C D'Alfonso, M Danielson, T Flowers, K Geffert, P Incandela, J Justus, C Kalavase, P Koay, SA Kovalskyi, D Krutelyov, V Lowette, S Mccoll, N Mullin, SD Pavlunin, V Rebassoo, F Ribnik, J Richman, J Rossin, R Stuart, D To, W Vlimant, JR West, C Apresyan, A Bornheim, A Bunn, J Chen, Y Duarte, J Gataullin, M Ma, Y Mott, A Newman, HB Rogan, C Shin, K Timciuc, V Traczyk, P Veverka, J Wilkinson, R Yang, Y Zhu, RY Akgun, B Carroll, R Ferguson, T Iiyama, Y Jang, DW Jun, SY Liu, YF Paulini, M Russ, J Vogel, H Vorobiev, I Cumalat, JP Dinardo, ME Drell, BR Edelmaier, CJ Ford, WT Gaz, A Heyburn, B Lopez, EL Nauenberg, U Smith, JG Stenson, K Ulmer, KA Wagner, SR Zang, SL Agostino, L Alexander, J Chatterjee, A Eggert, N Gibbons, LK Heltsley, B Hopkins, W Khukhunaishvili, A Kreis, B Kaufman, GN Patterson, JR Puigh, D Ryd, A Salvati, E Shi, X Sun, W Teo, WD Thom, J Thompson, J Vaughan, J Weng, Y Winstrom, L Wittich, P Biselli, A Cirino, G Winn, D Abdullin, S Albrow, M Anderson, J Apollinari, G Atac, M Bakken, JA Bauerdick, LAT Beretvas, A Berryhill, J Bhat, PC Bloch, I Burkett, K Butler, JN Chetluru, V Cheung, HWK Chlebana, F Cihangir, S Cooper, W Eartly, DP Elvira, VD Esen, S Fisk, I Freeman, J Gao, Y Gottschalk, E Green, D Gutsche, O Hanlon, J Harris, RM Hirschauer, J Hooberman, B Jensen, H Jindariani, S Johnson, M Joshi, U Klima, B Kousouris, K Kunori, S Kwan, S Leonidopoulos, C Limon, P Lincoln, D Lipton, R Lykken, J Maeshima, K Marraffino, JM Mason, D McBride, P Miao, T Mishra, K Mrenna, S Musienko, Y Newman-Holmes, C O'Dell, V Pivarski, J Pordes, R Prokofyev, O Schwarz, T Sexton-Kennedy, E Sharma, S Spalding, WJ Spiegel, L Tan, P Taylor, L Tkaczyk, S Uplegger, L Vaandering, EW Vidal, R Whitmore, J Wu, W Yang, F Yumiceva, F Yun, JC Acosta, D Avery, P Bourilkov, D Chen, M Das, S De Gruttola, M Di Giovanni, GP Dobur, D Drozdetskiy, A Field, RD Fisher, M Fu, Y Furic, IK Gartner, J Goldberg, S Hugon, J Kim, B Konigsberg, J Korytov, A Kropivnitskaya, A Kypreos, T Low, JF Matchev, K Mitselmakher, G Muniz, L Myeonghun, P Remington, R Rinkevicius, A Schmitt, M Scurlock, B Sellers, P Skhirtladze, N Snowball, M Wang, D Yelton, J Zakaria, M Gaultney, V Lebolo, LM Linn, S Markowitz, P Martinez, G Rodriguez, JL Adams, T Askew, A Bochenek, J Chen, J Diamond, B Gleyzer, SV Haas, J Hagopian, S Hagopian, V Jenkins, M Johnson, KF Prosper, H Sekmen, S Veeraraghavan, V Baarmand, MM Dorney, B Hohlmann, M Kalakhety, H Adams, MR Anghel, IM Apanasevich, L Bai, Y Bazterra, VE Betts, RR Callner, J Cavanaugh, R Dragoiu, C Gauthier, L Gerber, CE Hofman, DJ Khalatyan, S Kunde, GJ Lacroix, F Malek, M O'Brien, C Silkworth, C Silvestre, C Smoron, A Strom, D Varelas, N Akgun, U Albayrak, EA Bilki, B Clarida, W Duru, F Lae, CK McCliment, E Merlo, JP Mermerkaya, H Mestvirishvili, A Moeller, A Nachtman, J Newsom, CR Norbeck, E Olson, J Onel, Y Ozok, F Sen, S Wetzel, J Yetkin, T Yi, K Barnett, BA Blumenfeld, B Bonato, A Eskew, C Fehling, D Giurgiu, G Gritsan, AV Guo, ZJ Hu, G Maksimovic, P Rappoccio, S Swartz, M Tran, NV Whitbeck, A Baringer, P Bean, A Benelli, G Grachov, O Kenny, RP Murray, M Noonan, D Sanders, S Stringer, R Wood, JS Zhukova, V Barfuss, AF Bolton, T Chakaberia, I Ivanov, A Khalil, S Makouski, M Maravin, Y Shrestha, S Svintradze, I Gronberg, J Lange, D Wright, D Baden, A Boutemeur, M Eno, SC Ferencek, D Gomez, JA Hadley, NJ Kellogg, RG Kirn, M Lu, Y Mignerey, AC Rossato, K Rumerio, P Santanastasio, F Skuja, A Temple, J Tonjes, MB Tonwar, SC Twedt, E Alver, B Bauer, G Bendavid, J Busza, W Butz, E Cali, IA Chan, M Dutta, V Everaerts, P Ceballos, GG Goncharov, M Hahn, KA Harris, P Kim, Y Klute, M Lee, YJ Li, W Loizides, C Luckey, PD Ma, T Nahn, S Paus, C Ralph, D Roland, C Roland, G Rudolph, M Stephans, GSF Stockli, F Sumorok, K Sung, K Velicanu, D Wenger, EA Wolf, R Wyslouch, B Xie, S Yang, M Yilmaz, Y Yoon, AS Zanetti, M Cooper, SI Cushman, P Dahmes, B De Benedetti, A Franzoni, G Gude, A Haupt, J Klapoetke, K Kubota, Y Mans, J Pastika, N Rekovic, V Rusack, R Sasseville, M Singovsky, A Tambe, N Turkewitz, J Cremaldi, LM Godang, R Kroeger, R Perera, L Rahmat, R Sanders, DA Summers, D Bloom, K Bose, S Butt, J Claes, DR Dominguez, A Eads, M Jindal, P Keller, J Kelly, T Kravchenko, I Lazo-Flores, J Malbouisson, H Malik, S Snow, GR Baur, U Godshalk, A Iashvili, I Jain, S Kharchilava, A Kumar, A Smith, K Wan, Z Alverson, G Barberis, E Baumgartel, D Boeriu, O Chasco, M Reucroft, S Swain, J Trocino, D Wood, D Zhang, J Anastassov, A Kubik, A Mucia, N Odell, N Ofierzynski, RA Pollack, B Pozdnyakov, A Schmitt, M Stoynev, S Velasco, M Won, S Antonelli, L Berry, D Brinkerhoff, A Hildreth, M Jessop, C Karmgard, DJ Kolb, J Kolberg, T Lannon, K Luo, W Lynch, S Marinelli, N Morse, DM Pearson, T Ruchti, R Slaunwhite, J Valls, N Wayne, M Ziegler, J Bylsma, B Durkin, LS Hill, C Killewald, P Kotov, K Ling, TY Rodenburg, M Vuosalo, C Williams, G Adam, N Berry, E Elmer, P Gerbaudo, D Halyo, V Hebda, P Hunt, A Laird, E Pegna, DL Marlow, D Medvedeva, T Mooney, M Olsen, J Piroue, P Quan, X Safdi, B Saka, H Stickland, D Tully, C Werner, JS Zuranski, A Acosta, JG Huang, XT Lopez, A Mendez, H Oliveros, S Vargas, JER Zatserklyaniy, A Alagoz, E Barnes, VE Bolla, G Borrello, L Bortoletto, D De Mattia, M Everett, A Gutay, L Hu, Z Jones, M Koybasi, O Kress, M Laasanen, AT Leonardo, N Maroussov, V Merkel, P Miller, DH Neumeister, N Shipsey, I Silvers, D Svyatkovskiy, A Marono, MV Yoo, HD Zablocki, J Zheng, Y Guragain, S Parashar, N Adair, A Boulahouache, C Ecklund, KM Geurts, FJM Padley, BP Redjimi, R Roberts, J Zabel, J Betchart, B Bodek, A Chung, YS Covarelli, R de Barbaro, P Demina, R Eshaq, Y Flacher, H Garcia-Bellido, A Goldenzweig, P Gotra, Y Han, J Harel, A Miner, DC Petrillo, G Sakumoto, W Vishnevskiy, D Zielinski, M Bhatti, A Ciesielski, R Demortier, L Goulianos, K Lungu, G Malik, S Mesropian, C Arora, S Atramentov, O Barker, A Contreras-Campana, C Contreras-Campana, E Duggan, D Gershtein, Y Gray, R Halkiadakis, E Hidas, D Hits, D Lath, A Panwalkar, S Park, M Patel, R Richards, A Rose, K Schnetzer, S Somalwar, S Stone, R Thomas, S Cerizza, G Hollingsworth, M Spanier, S Yang, ZC York, A Eusebi, R Flanagan, W Gilmore, J Gurrola, A Kamon, T Khotilovich, V Montalvo, R Osipenkov, I Pakhotin, Y Perloff, A Roe, J Safonov, A Sengupta, S Suarez, I Tatarinov, A Toback, D Akchurin, N Bardak, C Damgov, J Dudero, PR Jeong, C Kovitanggoon, K Lee, SW Libeiro, T Mane, P Roh, Y Sill, A Volobouev, I Wigmans, R Yazgan, E Appelt, E Brownson, E Engh, D Florez, C Gabella, W Issah, M Johns, W Johnston, C Kurt, P Maguire, C Melo, A Sheldon, P Snook, B Tuo, S Velkovska, J Arenton, MW Balazs, M Boutle, S Cox, B Francis, B Goadhouse, S Goodell, J Hirosky, R Ledovskoy, A Lin, C Neu, C Wood, J Yohay, R Gollapinni, S Harr, R Karchin, PE Don, CKK Lamichhane, P Mattson, M Milstene, C Sakharov, A Anderson, M Bachtis, M Belknap, D Bellinger, JN Carlsmith, D Cepeda, M Dasu, S Efron, J Friis, E Gray, L Grogg, KS Grothe, M Hall-Wilton, R Herndon, M Herve, A Klabbers, P Klukas, J Lanaro, A Lazaridis, C Leonard, J Loveless, R Mohapatra, A Ojalvo, I Parker, W Ross, I Savin, A Smith, WH Swanson, J Weinberg, M AF Chatrchyan, S. Khachatryan, V. Sirunyan, A. M. Tumasyan, A. Adam, W. Bergauer, T. Dragicevic, M. Eroe, J. Fabjan, C. Friedl, M. Fruehwirth, R. Ghete, V. M. Hammer, J. Haensel, S. Hoch, M. Hoermann, N. Hrubec, J. Jeitler, M. Kiesenhofer, W. Krammer, M. Liko, D. Mikulec, I. Pernicka, M. Rahbaran, B. Rohringer, H. Schoefbeck, R. Strauss, J. Taurok, A. Teischinger, F. Trauner, C. Wagner, P. Waltenberger, W. Walzel, G. Widl, E. Wulz, C. -E. Mossolov, V. Shumeiko, N. Gonzalez, J. Suarez Bansal, S. Benucci, L. De Wolf, E. A. Janssen, X. Luyckx, S. Maes, T. Mucibello, L. Ochesanu, S. Roland, B. Rougny, R. Selvaggi, M. Van Haevermaet, H. Van Mechelen, P. Van Remortel, N. Blekman, F. Blyweert, S. D'Hondt, J. Suarez, R. Gonzalez Kalogeropoulos, A. Maes, M. Olbrechts, A. Van Doninck, W. Van Mulders, P. Van Onsem, G. P. Villella, I. Charaf, O. Clerbaux, B. De Lentdecker, G. Dero, V. Gay, A. P. R. Hammad, G. H. Hreus, T. Marage, P. E. Raval, A. Thomas, L. Vander Marcken, G. Vander Velde, C. Vanlaer, P. Adler, V. Cimmino, A. Costantini, S. Grunewald, M. Klein, B. Lellouch, J. Marinov, A. Mccartin, J. Ryckbosch, D. Thyssen, F. Tytgat, M. Vanelderen, L. Verwilligen, P. Walsh, S. Zaganidis, N. Basegmez, S. Bruno, G. Caudron, J. Ceard, L. Gil, E. Cortina De Jeneret, J. De Favereau Delaere, C. Favart, D. Giammanco, A. Gregoire, G. Hollar, J. Lemaitre, V. Liao, J. Militaru, O. Nuttens, C. Ovyn, S. Pagano, D. Pin, A. Piotrzkowski, K. Schul, N. Beliy, N. Caebergs, T. Daubie, E. Alves, G. A. Brito, L. De Jesus Damiao, D. Pol, M. E. Souza, M. H. G. Alda Junior, W. L. Carvalho, W. Da Costa, E. M. De Oliveira Martins, C. Fonseca De Souza, S. Matos Figueiredo, D. Mundim, L. Nogima, H. Oguri, V. Prado Da Silva, W. L. Santoro, A. Silva Do Amaral, S. M. Sznajder, A. Anjos, T. S. Bernardes, C. A. Dias, F. A. Fernandez Perez Tomei, T. R. Gregores, E. M. Lagana, C. Marinho, F. Mercadante, P. G. Novaes, S. F. Padula, Sandra S. Darmenov, N. Genchev, V. Iaydjiev, P. Piperov, S. Rodozov, M. Stoykova, S. Sultanov, G. Tcholakov, V. Trayanov, R. Vutova, M. Dimitrov, A. Hadjiiska, R. Karadzhinova, A. Kozhuharov, V. Litov, L. Mateev, M. Pavlov, B. Petkov, P. Bian, J. G. Chen, G. M. Chen, H. S. Jiang, C. H. Liang, D. Liang, S. Meng, X. Tao, J. Wang, J. Wang, J. Wang, X. Wang, Z. Xiao, H. Xu, M. Zang, J. Zhang, Z. Ban, Y. Guo, S. Guo, Y. Li, W. Mao, Y. Qian, S. J. Teng, H. Zhu, B. Zou, W. Cabrera, A. Gomez Moreno, B. Ocampo Rios, A. A. Osorio Oliveros, A. F. Sanabria, J. C. Godinovic, N. Lelas, D. Lelas, K. Plestina, R. Polic, D. Puljak, I. Antunovic, Z. Dzelalija, M. Kovac, M. Brigljevic, V. Duric, S. Kadija, K. Luetic, J. Morovic, S. Attikis, A. Galanti, M. Mousa, J. Nicolaou, C. Ptochos, F. Razis, P. A. Finger, M. Finger, M., Jr. Assran, Y. Kamel, A. Ellithi Khalil, S. Mahmoud, M. A. Radi, A. Hektor, A. Kadastik, M. Muentel, M. Raidal, M. Rebane, L. Tiko, A. Azzolini, V. Eerola, P. Fedi, G. Voutilainen, M. Czellar, S. Harkonen, J. Heikkinen, A. Karimaki, V. Kinnunen, R. Kortelainen, M. J. Lampen, T. Lassila-Perini, K. Lehti, S. Linden, T. Luukka, P. Maenpaa, T. Tuominen, E. Tuominiemi, J. Tuovinen, E. Ungaro, D. Wendland, L. Banzuzi, K. Karjalainen, A. Korpela, A. Tuuva, T. Sillou, D. Besancon, M. Choudhury, S. Dejardin, M. Denegri, D. Fabbro, B. Faure, J. L. Ferri, F. Ganjour, S. Givernaud, A. Gras, P. De Monchenault, G. Hamel Jarry, P. Locci, E. Malcles, J. Marionneau, M. Millischer, L. Rander, J. Rosowsky, A. Shreyber, I. Titov, M. Baffioni, S. Beaudette, F. Benhabib, L. Bianchini, L. Bluj, M. Broutin, C. Busson, P. Charlot, C. Dahms, T. Dobrzynski, L. Elgammal, S. de Cassagnac, R. Granier Haguenauer, M. Mine, P. Mironov, C. Ochando, C. Paganini, P. Sabes, D. Salerno, R. Sirois, Y. Thiebaux, C. Veelken, C. Zabi, A. Agram, J. -L. Andrea, J. Bloch, D. Bodin, D. Brom, J. -M. Cardaci, M. Chabert, E. C. Collard, C. Conte, E. Drouhin, F. Ferro, C. Fontaine, J. -C. Gele, D. Goerlach, U. Greder, S. Juillot, P. Karim, M. Le Bihan, A. -C. Mikami, Y. Van Hove, P. Fassi, F. Mercier, D. Baty, C. Beauceron, S. Beaupere, N. Bedjidian, M. Bondu, O. Boudoul, G. Boumediene, D. Brun, H. Chasserat, J. Chierici, R. Contardo, D. Depasse, P. El Mamouni, H. Fay, J. Gascon, S. Ille, B. Kurca, T. Le Grand, T. Lethuillier, M. Mirabito, L. Perries, S. Sordini, V. Tosi, S. Tschudi, Y. Verdier, P. Viret, S. Lomidze, D. Anagnostou, G. Beranek, S. Edelhoff, M. Feld, L. Heracleous, N. Hindrichs, O. Jussen, R. Klein, K. Merz, J. Mohr, N. Ostapchuk, A. Perieanu, A. Raupach, F. Sammet, J. Schael, S. Sprenger, D. Weber, H. Weber, M. Wittmer, B. Zhukov, V. Ata, M. Dietz-Laursonn, E. Erdmann, M. Hebbeker, T. Heidemann, C. Hinzmann, A. Hoepfner, K. Klimkovich, T. Klingebiel, D. Kreuzer, P. Lanske, D. Lingemann, J. Magass, C. Merschmeyer, M. Meyer, A. Papacz, P. Pieta, H. Reithler, H. Schmitz, S. A. Sonnenschein, L. Steggemann, J. Teyssier, D. Bontenackels, M. Cherepanov, V. Davids, M. Fluegge, G. Geenen, H. Giffels, M. Ahmad, W. Haj Hoehle, F. Kargoll, B. Kress, T. Kuessel, Y. Linn, A. Nowack, A. Perchalla, L. Pooth, O. Rennefeld, J. Sauerland, P. Stahl, A. Tornier, D. Zoeller, M. H. Martin, M. Aldaya Behrenhoff, W. Behrens, U. Bergholz, M. Bethani, A. Borras, K. Cakir, A. Campbell, A. Castro, E. Dammann, D. Eckerlin, G. Eckstein, D. Flossdorf, A. Flucke, G. Geiser, A. Hauk, J. Jung, H. Kasemann, M. Katsas, P. Kleinwort, C. Kluge, H. Knutsson, A. Kraemer, M. Kruecker, D. Kuznetsova, E. Lange, W. Lohmann, W. Lutz, B. Mankel, R. Marienfeld, M. Melzer-Pellmann, I. -A. Meyer, A. B. Mnich, J. Mussgiller, A. Olzem, J. Petrukhin, A. Pitzl, D. Raspereza, A. Rosin, M. Schmidt, R. Schoerner-Sadenius, T. Sen, N. Spiridonov, A. Stein, M. Tomaszewska, J. Walsh, R. Wissing, C. Autermann, C. Blobel, V. Bobrovskyi, S. Draeger, J. Enderle, H. Gebbert, U. Goerner, M. Hermanns, T. Kaschube, K. Kaussen, G. Kirschenmann, H. Klanner, R. Lange, J. Mura, B. Naumannemme, S. Nowak, F. Pietsch, N. Sander, C. Schettler, H. Schleper, P. Schlieckau, E. Schroeder, M. Schum, T. Stadie, H. Steinbrueck, G. Thomsen, J. Barth, C. Bauer, J. Berger, J. Buege, V. Chwalek, T. De Boer, W. Dierlamm, A. Dirkes, G. Feindt, M. Gruschke, J. Hackstein, C. Hartmann, F. Heinrich, M. Held, H. Hoffmann, K. H. Honc, S. Katkov, I. Komaragiri, J. R. Kuhr, T. Martschei, D. Mueller, S. Mueller, Th Niegel, M. Oberst, O. Oehler, A. Ott, J. Peiffer, T. Quast, G. Rabbertz, K. Ratnikov, F. Ratnikova, N. Renz, M. Roecker, S. Saout, C. Scheurer, A. Schieferdecker, P. Schilling, F. -P. Schmanau, M. Schott, G. Simonis, H. J. Stober, F. M. Troendle, D. Wagner-Kuhr, J. Weiler, T. Zeise, M. Ziebarth, E. B. Daskalakis, G. Geralis, T. Kesisoglou, S. Kyriakis, A. Loukas, D. Manolakos, I. Markou, A. Markou, C. Mavrommatis, C. Ntomari, E. Petrakou, E. Gouskos, L. Mertzimekis, T. J. Panagiotou, A. Saoulidou, N. Stiliaris, E. Evangelou, I. Foudas, C. Kokkas, P. Manthos, N. Papadopoulos, I. Patras, V. Triantis, F. A. Aranyi, A. Bencze, G. Boldizsar, L. Hajdu, C. Hidas, P. Horvath, D. Kapusi, A. Krajczar, K. Sikler, F. Veres, G. I. Vesztergombi, G. Beni, N. Molnar, J. Palinkas, J. Szillasi, Z. Veszpremi, V. Karancsi, J. Raics, P. Trocsanyi, Z. L. Ujvari, B. Beri, S. B. Bhatnagar, V. Dhingra, N. Gupta, R. Jindal, M. Kaur, M. Kohli, J. M. Mehta, M. Z. Nishu, N. Saini, L. K. Sharma, A. Singh, A. P. Singh, J. Singh, S. P. Ahuja, S. Choudhary, B. C. Gupta, P. Kumar, A. Kumar, A. Malhotra, S. Naimuddin, M. Ranjan, K. Shivpuri, R. K. Banerjee, S. Bhattacharya, S. Dutta, S. Gomber, B. Jain, S. Jain, S. Khurana, R. Sarkar, S. Choudhury, R. K. Dutta, D. Kailas, S. Kumar, V. Mehta, P. Mohanty, A. K. Pant, L. M. Shukla, P. Aziz, T. Guchait, M. Gurtu, A. Maity, M. Majumder, D. Majumder, G. Mathew, T. Mazumdar, K. Mohanty, G. B. Parida, B. Saha, A. Sudhakar, K. Wickramage, N. Banerjee, S. Dugad, S. Mondal, N. K. Arfaei, H. Bakhshiansohi, H. Etesami, S. M. Fahim, A. Hashemi, M. Hesari, H. Jafari, A. Khakzad, M. Mohammadi, A. Najafabadi, M. Mohammadi Mehdiabadi, S. Paktinat Safarzadeh, B. Zeinali, M. Abbrescia, M. Barbone, L. Calabria, C. Colaleo, A. Creanza, D. De Filippis, N. De Palma, M. Fiore, L. Iaselli, G. Lusito, L. Maggi, G. Maggi, M. Manna, N. Marangelli, B. My, S. Nuzzo, S. Pacifico, N. Pierro, G. A. Pompili, A. Pugliese, G. Romano, F. Roselli, G. Selvaggi, G. Silvestris, L. Trentadue, R. Tupputi, S. Zito, G. Abbiendi, G. Benvenuti, A. C. Bonacorsi, D. Braibant-Giacomelli, S. Brigliadori, L. Capiluppi, P. Castro, A. Cavallo, F. R. Cuffiani, M. Dallavalle, G. M. Fabbri, F. Fanfani, A. Fasanella, D. Giacomelli, P. Giunta, M. Grandi, C. Marcellini, S. Masetti, G. Meneghelli, M. Montanari, A. Navarria, F. L. Odorici, F. Perrotta, A. Primavera, F. Rossi, A. M. Rovelli, T. Siroli, G. Travaglini, R. Albergo, S. Cappello, G. Chiorboli, M. Costa, S. Potenza, R. Tricomi, A. Tuve, C. Barbagli, G. Ciulli, V. Civinini, C. D'Alessandro, R. Focardi, E. Frosali, S. Gallo, E. Gonzi, S. Meschini, M. Paoletti, S. Sguazzoni, G. Tropiano, A. Benussi, L. Bianco, S. Colafranceschi, S. Fabbri, F. Fabbricatore, P. Musenich, R. Benaglia, A. De Guio, F. Di Matteo, L. Gennai, S. Ghezzi, A. Malvezzi, S. Martelli, A. Massironi, A. Menasce, D. Moroni, L. Paganoni, M. Pedrini, D. Ragazzi, S. Redaelli, N. Sala, S. de Fatis, T. Tabarelli Buontempo, S. Montoya, C. A. Carrillo Cavallo, N. De Cosa, A. Fabozzi, F. Iorio, A. O. M. Lista, L. Merola, M. Paolucci, P. Azzi, P. Bacchetta, N. Bellan, P. Bisello, D. Branca, A. Carlin, R. Checchia, P. Dorigo, T. Dosselli, U. Fanzago, F. Gasparini, F. Gasparini, U. Gozzelino, A. Lacaprara, S. Lazzizzera, I. Margoni, M. Mazzucato, M. Meneguzzo, A. T. Nespolo, M. Perrozzi, L. Pozzobon, N. Ronchese, P. Simonetto, F. Torassa, E. Tosi, M. Vanini, S. Zotto, P. Zumerle, G. Baesso, P. Berzano, U. Ratti, S. P. Riccardi, C. Torre, P. Vitulo, P. Viviani, C. Biasini, M. Bilei, G. M. Caponeri, B. Fano, L. Lariccia, P. Lucaroni, A. Mantovani, G. Menichelli, M. Nappi, A. Romeo, F. Santocchia, A. Taroni, S. Valdata, M. Azzurri, P. Bagliesi, G. Bernardini, J. Boccali, T. Broccolo, G. Castaldi, R. D'Agnolo, R. T. Dell'Orso, R. Fiori, F. Foa, L. Giassi, A. Kraan, A. Ligabue, F. Lomtadze, T. Martini, L. Messineo, A. Palla, F. Palmonari, F. Segneri, G. Serban, A. T. Spagnolo, P. Tenchini, R. Tonelli, G. Venturi, A. Verdini, P. G. Barone, L. Cavallari, F. Del Re, D. Di Marco, E. Diemoz, M. Franci, D. Grassi, M. Longo, E. Meridiani, P. Nourbakhsh, S. Organtini, G. Pandolfi, F. Paramatti, R. Rahatlou, S. Sigamani, M. Amapane, N. Arcidiacono, R. Argiro, S. Arneodo, M. Biino, C. Botta, C. Cartiglia, N. Castello, R. Costa, M. Demaria, N. Graziano, A. Mariotti, C. Maselli, S. Migliore, E. Monaco, V. Musich, M. Obertino, M. M. Pastrone, N. Pelliccioni, M. Potenza, A. Romero, A. Ruspa, M. Sacchi, R. Sola, V. Solano, A. Staiano, A. Pereira, A. Vilela Belforte, S. Cossutti, F. Della Ricca, G. Gobbo, B. Marone, M. Montanino, D. Penzo, A. Heo, S. G. Nam, S. K. Chang, S. Chung, J. Kim, D. H. Kim, G. N. Kim, J. E. Kong, D. J. Park, H. Ro, S. R. Son, D. C. Son, T. Kim, J. Y. Kim, Zero J. Song, S. Jo, H. Y. Choi, S. Gyun, D. Hong, B. Jo, M. Kim, H. Kim, J. H. Kim, T. J. Lee, K. S. Moon, D. H. Park, S. K. Seo, E. Sim, K. S. Choi, M. Kang, S. Kim, H. Park, C. Park, I. C. Park, S. Ryu, G. Cho, Y. Choi, Y. Choi, Y. K. Goh, J. Kim, M. S. Lee, B. Lee, J. Lee, S. Seo, H. Yu, I. Bilinskas, M. J. Grigelionis, I. Janulis, M. Martisiute, D. Petrov, P. Polujanskas, M. Sabonis, T. Castilla-Valdez, H. De La Cruz-Burelo, E. Heredia-de La Cruz, I. Lopez-Fernandez, R. Magana Villalba, R. Martinez-Ortega, J. Sanchez-Hernandez, A. Villasenor-Cendejas, L. M. Carrillo Moreno, S. Vazquez Valencia, F. Salazar Ibarguen, H. A. Casimiro Linares, E. Morelos Pineda, A. Reyes-Santos, M. A. Krofcheck, D. Tam, J. Butler, P. H. Doesburg, R. Silverwood, H. Ahmad, M. Ahmed, I. Ansari, M. H. Asghar, M. I. Hoorani, H. R. Khalid, S. Khan, W. A. Khurshid, T. Qazi, S. Shah, M. A. Shoaib, M. Brona, G. Cwiok, M. Dominik, W. Doroba, K. Kalinowski, A. Konecki, M. Krolikowski, J. Frueboes, T. Gokieli, R. Gorski, M. Kazana, M. Nawrocki, K. Romanowska-Rybinska, K. Szleper, M. Wrochna, G. Zalewski, P. Almeida, N. Bargassa, P. David, A. Faccioli, P. Ferreira Parracho, P. G. Gallinaro, M. Musella, P. Nayak, A. Pela, J. Ribeiro, P. Q. Seixas, J. Varela, J. Afanasiev, S. Belotelov, I. Bunin, P. Gavrilenko, M. Golutvin, I. Kamenev, A. Karjavin, V. Kozlov, G. Lanev, A. Moisenz, P. Palichik, V. Perelygin, V. Shmatov, S. Smirnov, V. Volodko, A. Zarubin, A. Golovtsov, V. Ivanov, Y. Kim, V. Levchenko, P. Murzin, V. Oreshkin, V. Smirnov, I. Sulimov, V. Uvarov, L. Vavilov, S. Vorobyev, A. Vorobyev, An Andreev, Yu Dermenev, A. Gninenko, S. Golubev, N. Kirsanov, M. Krasnikov, N. Matveev, V. Pashenkov, A. Toropin, A. Troitsky, S. Epshteyn, V. Erofeeva, M. Gavrilov, V. Kaftanov, V. Kossov, M. Krokhotin, A. Lychkovskaya, N. Popov, V. Safronov, G. Semenov, S. Stolin, V. Vlasov, E. Zhokin, A. Belyaev, A. Boos, E. Dubinin, M. Dudko, L. Ershov, A. Gribushin, A. Kodolova, O. Lokhtin, I. Markina, A. Obraztsov, S. Perfilov, M. Petrushanko, S. Sarycheva, L. Savrin, V. Snigirev, A. Andreev, V. Azarkin, M. Dremin, I. Kirakosyan, M. Leonidov, A. Mesyats, G. Rusakov, S. V. Vinogradov, A. Azhgirey, I. Bayshev, I. Bitioukov, S. Grishin, V. Kachanov, V. Konstantinov, D. Korablev, A. Krychkine, V. Petrov, V. Ryutin, R. Sobol, A. Tourtchanovitch, L. Troshin, S. Tyurin, N. Uzunian, A. Volkov, A. Adzic, P. Djordjevic, M. Krpic, D. Milosevic, J. Aguilar-Benitez, M. Alcaraz Maestre, J. Arce, P. Battilana, C. Calvo, E. Cerrada, M. Chamizo Llatas, M. Colino, N. De La Cruz, B. Delgado Peris, A. Diez Pardos, C. Dominguez Vazquez, D. Fernandez Bedoya, C. Fernandez Ramos, J. P. Ferrando, A. Flix, J. Fouz, M. C. Garcia-Abia, P. Gonzalez Lopez, O. Goy Lopez, S. Hernandez, J. M. Josa, M. I. Merino, G. Puerta Pelayo, J. Redondo, I. Romero, L. Santaolalla, J. Soares, M. S. Willmott, C. Albajar, C. Codispoti, G. de Troconiz, J. F. Cuevas, J. Fernandez Menendez, J. Folgueras, S. Gonzalez Caballero, I. Lloret Iglesias, L. Vizan Garcia, J. M. Brochero Cifuentes, J. A. Cabrillo, I. J. Calderon, A. Chuang, S. H. Duarte Campderros, J. Felcini, M. Fernandez, M. Gomez, G. Gonzalez Sanchez, J. Jorda, C. Lobelle Pardo, P. Lopez Virto, A. Marco, J. Marco, R. Martinez Rivero, C. Matorras, F. Munoz Sanchez, F. J. Piedra Gomez, J. Rodrigo, T. Rodriguez-Marrero, A. Y. Ruiz-Jimeno, A. Scodellaro, L. Sobron Sanudo, M. Vila, I. Vilar Cortabitarte, R. Abbaneo, D. Auffray, E. Auzinger, G. Baillon, P. Ball, A. H. Barney, D. Bell, A. J. Benedetti, D. Bernet, C. Bialas, W. Bloch, P. Bocci, A. Bolognesi, S. Bona, M. Breuker, H. Bunkowski, K. Camporesi, T. Cerminara, G. Christiansen, T. Perez, J. A. Coarasa Cure, B. D'Enterria, D. De Roeck, A. Di Guida, S. Dupont-Sagorin, N. Elliott-Peisert, A. Frisch, B. Funk, W. Gaddi, A. Georgiou, G. Gerwig, H. Gigi, D. Gill, K. Giordano, D. Glege, F. Garrido, R. Gomez-Reino Gouzevitch, M. Govoni, P. Gowdy, S. Guida, R. Guiducci, L. Hansen, M. Hartl, C. Harvey, J. Hegeman, J. Hegner, B. Hoffmann, H. F. Innocente, V. Janot, P. Kaadze, K. Karavakis, E. Lecoq, P. Lenzi, P. Lourenco, C. Maeki, T. Malberti, M. Malgeri, L. Mannelli, M. Masetti, L. Maurisset, A. Mavromanolakis, G. Meijers, F. Mersi, S. Meschi, E. Moser, R. Mozer, M. U. Mulders, M. Nesvold, E. Nguyen, M. Orimoto, T. Orsini, L. Cortezon, E. Palencia Perez, E. Petrilli, A. Pfeiffer, A. Pierini, M. Pimiae, M. Piparo, D. Polese, G. Quertenmont, L. Racz, A. Reece, W. Antunes, J. Rodrigues Rolandi, G. Rommerskirchen, T. Rovelli, C. Rovere, M. Sakulin, H. Schaefer, C. Schwick, C. Segoni, I. Sharma, A. Siegrist, P. Silva, P. Simon, M. Sphicas, P. Spiga, D. Spiropulu, M. Stoye, M. Tsirou, A. Vichoudis, P. Woehri, H. K. Worm, S. D. Zeuner, W. D. Bertl, W. Deiters, K. Erdmann, W. Gabathuler, K. Horisberger, R. Ingram, Q. Kaestli, H. C. Koenig, S. Kotlinski, D. Langenegger, U. Meier, F. Renker, D. Rohe, T. Sibille, J. Baeni, L. Bortignon, P. Caminada, L. Casal, B. Chanon, N. Chen, Z. Cittolin, S. Dissertori, G. Dittmar, M. Eugster, J. Freudenreich, K. Grab, C. Hintz, W. Lecomte, P. Lustermann, W. Marchica, C. del Arbol, P. Martinez Ruiz Milenovic, P. Moortgat, F. Naegeli, C. Nef, P. Nessi-Tedaldi, F. Pape, L. Pauss, F. Punz, T. Rizzi, A. Ronga, F. J. Rossini, M. Sala, L. Sanchez, A. K. Sawley, M. -C. Starodumov, A. Stieger, B. Takahashi, M. Tauscher, L. Thea, A. Theofilatos, K. Treille, D. Urscheler, C. Wallny, R. Weber, M. Wehrli, L. Weng, J. Aguilo, E. Amsler, C. Chiochia, V. De Visscher, S. Favaro, C. Rikova, M. Ivova Jaeger, A. Mejias, B. Millan Otiougova, P. Robmann, P. Schmidt, A. Snoek, H. Chang, Y. H. Chen, K. H. Kuo, C. M. Li, S. W. Lin, W. Liu, Z. K. Lu, Y. J. Mekterovic, D. Volpe, R. Yu, S. S. Bartalini, P. Chang, P. Chang, Y. H. Chang, Y. W. Chao, Y. Chen, K. F. Dietz, C. Grundler, U. Hou, W. -S. Hsiung, Y. Kao, K. Y. Lei, Y. J. Lu, R. -S. Shiu, J. G. Tzeng, Y. M. Wan, X. Wang, M. Adiguzel, A. Bakirci, M. N. Cerci, S. Dozen, C. Dumanoglu, I. Eskut, E. Girgis, S. Gokbulut, G. Hos, I. Kangal, E. E. Topaksu, A. Kayis Onengut, G. Ozdemir, K. Ozturk, S. Polatoz, A. Sogut, K. Cerci, D. Sunar Tali, B. Topakli, H. Uzun, D. Vergili, L. N. Vergili, M. Akin, I. V. Aliev, T. Bilin, B. Bilmis, S. Deniz, M. Gamsizkan, H. Guler, A. M. Ocalan, K. Ozpineci, A. Serin, M. Sever, R. Surat, U. E. Yalvac, M. Yildirim, E. Zeyrek, M. Deliomeroglu, M. Demir, D. Gulmez, E. Isildak, B. Kaya, M. Kaya, O. Ozbek, M. Ozkorucuklu, S. Sonmez, N. Levchuk, L. Bostock, F. Brooke, J. J. Cheng, T. L. Clement, E. Cussans, D. Frazier, R. Goldstein, J. Grimes, M. Heath, G. P. Heath, H. F. Kreczko, L. Metson, S. Newbold, D. M. Nirunpong, K. Poll, A. Senkin, S. Smith, V. J. Basso, L. Bell, K. W. Belyaev, A. Brew, C. Brown, R. M. Camanzi, B. Cockerill, D. J. A. Coughlan, J. A. Harder, K. Harper, S. Jackson, J. Kennedy, B. W. Olaiya, E. Petyt, D. Radburnsmith, B. C. Shepherd-Themistocleous, C. H. Tomalin, I. R. Womersley, W. J. Bainbridge, R. Ball, G. Ballin, J. Beuselinck, R. Buchmuller, O. Colling, D. Cripps, N. Cutajar, M. Davies, G. Della Negra, M. Ferguson, W. Fulcher, J. Futyan, D. Gilbert, A. Bryer, A. Guneratne Hall, G. Hatherell, Z. Hays, J. Iles, G. Jarvis, M. Karapostoli, G. Lyons, L. Magnan, A. -M. Marrouche, J. Mathias, B. Nandi, R. Nash, J. Nikitenko, A. Papageorgiou, A. Pesaresi, M. Petridis, K. Pioppi, M. Raymond, D. M. Rogerson, S. Rompotis, N. Rose, A. Ryan, M. J. Seez, C. Sharp, P. Sparrow, A. Tapper, A. Tourneur, S. Acosta, M. Vazquez Virdee, T. Wakefield, S. Wardle, N. Wardrope, D. Whyntie, T. Barrett, M. Chadwick, M. Cole, J. E. Hobson, P. R. Khan, A. Kyberd, P. Leslie, D. Martin, W. Reid, I. D. Teodorescu, L. Hatakeyama, K. Liu, H. Henderson, C. Bose, T. Jarrin, E. Carrera Fantasia, C. Heister, A. John, J. St. Lawson, P. Lazic, D. Rohlf, J. Sperka, D. Sulak, L. Avetisyan, A. Bhattacharya, S. Chou, J. P. Cutts, D. Ferapontov, A. Heintz, U. Jabeen, S. Kukartsev, G. Landsberg, G. Luk, M. Narain, M. Nguyen, D. Segala, M. Sinthuprasith, T. Speer, T. Tsang, K. V. Breedon, R. Breto, G. Sanchez, M. Calderon De La Barca Chauhan, S. Chertok, M. Conway, J. Conway, R. Cox, P. T. Dolen, J. Erbacher, R. Houtz, R. Ko, W. Kopecky, A. Lander, R. Liu, H. Mall, O. Maruyama, S. Miceli, T. Nikolic, M. Pellett, D. Robles, J. Rutherford, B. Salur, S. Searle, M. Smith, J. Squires, M. Tripathi, M. Sierra, R. Vasquez Andreev, V. Arisaka, K. Cline, D. Cousins, R. Deisher, A. Duris, J. Erhan, S. Farrell, C. Hauser, J. Ignatenko, M. Jarvis, C. Plager, C. Rakness, G. Schlein, P. Tucker, J. Valuev, V. Babb, J. Clare, R. Ellison, J. Gary, J. W. Giordano, F. Hanson, G. Jeng, G. Y. Kao, S. C. Liu, H. Long, O. R. Luthra, A. Nguyen, H. Paramesvaran, S. Sturdy, J. Sumowidagdo, S. Wilken, R. Wimpenny, S. Andrews, W. Branson, J. G. Cerati, G. B. Evans, D. Golf, F. Holzner, A. Kelley, R. Lebourgeois, M. Letts, J. Mangano, B. Padhi, S. Palmer, C. Petrucciani, G. Pi, H. Pieri, M. Ranieri, R. Sani, M. Sharma, V. Simon, S. Sudano, E. Tadel, M. Tu, Y. Vartak, A. Wasserbaech, S. Wuerthwein, F. Yagil, A. Yoo, J. Barge, D. Bellan, R. Campagnari, C. D'Alfonso, M. Danielson, T. Flowers, K. Geffert, P. Incandela, J. Justus, C. Kalavase, P. Koay, S. A. Kovalskyi, D. Krutelyov, V. Lowette, S. Mccoll, N. Mullin, S. D. Pavlunin, V. Rebassoo, F. Ribnik, J. Richman, J. Rossin, R. Stuart, D. To, W. Vlimant, J. R. West, C. Apresyan, A. Bornheim, A. Bunn, J. Chen, Y. Duarte, J. Gataullin, M. Ma, Y. Mott, A. Newman, H. B. Rogan, C. Shin, K. Timciuc, V. Traczyk, P. Veverka, J. Wilkinson, R. Yang, Y. Zhu, R. Y. Akgun, B. Carroll, R. Ferguson, T. Iiyama, Y. Jang, D. W. Jun, S. Y. Liu, Y. F. Paulini, M. Russ, J. Vogel, H. Vorobiev, I. Cumalat, J. P. Dinardo, M. E. Drell, B. R. Edelmaier, C. J. Ford, W. T. Gaz, A. Heyburn, B. Lopez, E. Luiggi Nauenberg, U. Smith, J. G. Stenson, K. Ulmer, K. A. Wagner, S. R. Zang, S. L. Agostino, L. Alexander, J. Chatterjee, A. Eggert, N. Gibbons, L. K. Heltsley, B. Hopkins, W. Khukhunaishvili, A. Kreis, B. Kaufman, G. Nicolas Patterson, J. R. Puigh, D. Ryd, A. Salvati, E. Shi, X. Sun, W. Teo, W. D. Thom, J. Thompson, J. Vaughan, J. Weng, Y. Winstrom, L. Wittich, P. Biselli, A. Cirino, G. Winn, D. Abdullin, S. Albrow, M. Anderson, J. Apollinari, G. Atac, M. Bakken, J. A. Bauerdick, L. A. T. Beretvas, A. Berryhill, J. Bhat, P. C. Bloch, I. Burkett, K. Butler, J. N. Chetluru, V. Cheung, H. W. K. Chlebana, F. Cihangir, S. Cooper, W. Eartly, D. P. Elvira, V. D. Esen, S. Fisk, I. Freeman, J. Gao, Y. Gottschalk, E. Green, D. Gutsche, O. Hanlon, J. Harris, R. M. Hirschauer, J. Hooberman, B. Jensen, H. Jindariani, S. Johnson, M. Joshi, U. Klima, B. Kousouris, K. Kunori, S. Kwan, S. Leonidopoulos, C. Limon, P. Lincoln, D. Lipton, R. Lykken, J. Maeshima, K. Marraffino, J. M. Mason, D. McBride, P. Miao, T. Mishra, K. Mrenna, S. Musienko, Y. Newman-Holmes, C. O'Dell, V. Pivarski, J. Pordes, R. Prokofyev, O. Schwarz, T. Sexton-Kennedy, E. Sharma, S. Spalding, W. J. Spiegel, L. Tan, P. Taylor, L. Tkaczyk, S. Uplegger, L. Vaandering, E. W. Vidal, R. Whitmore, J. Wu, W. Yang, F. Yumiceva, F. Yun, J. C. Acosta, D. Avery, P. Bourilkov, D. Chen, M. Das, S. De Gruttola, M. Di Giovanni, G. P. Dobur, D. Drozdetskiy, A. Field, R. D. Fisher, M. Fu, Y. Furic, I. K. Gartner, J. Goldberg, S. Hugon, J. Kim, B. Konigsberg, J. Korytov, A. Kropivnitskaya, A. Kypreos, T. Low, J. F. Matchev, K. Mitselmakher, G. Muniz, L. Myeonghun, P. Remington, R. Rinkevicius, A. Schmitt, M. Scurlock, B. Sellers, P. Skhirtladze, N. Snowball, M. Wang, D. Yelton, J. Zakaria, M. Gaultney, V. Lebolo, L. M. Linn, S. Markowitz, P. Martinez, G. Rodriguez, J. L. Adams, T. Askew, A. Bochenek, J. Chen, J. Diamond, B. Gleyzer, S. V. Haas, J. Hagopian, S. Hagopian, V. Jenkins, M. Johnson, K. F. Prosper, H. Sekmen, S. Veeraraghavan, V. Baarmand, M. M. Dorney, B. Hohlmann, M. Kalakhety, H. Adams, M. R. Anghel, I. M. Apanasevich, L. Bai, Y. Bazterra, V. E. Betts, R. R. Callner, J. Cavanaugh, R. Dragoiu, C. Gauthier, L. Gerber, C. E. Hofman, D. J. Khalatyan, S. Kunde, G. J. Lacroix, F. Malek, M. O'Brien, C. Silkworth, C. Silvestre, C. Smoron, A. Strom, D. Varelas, N. Akgun, U. Albayrak, E. A. Bilki, B. Clarida, W. Duru, F. Lae, C. K. McCliment, E. Merlo, J. -P. Mermerkaya, H. Mestvirishvili, A. Moeller, A. Nachtman, J. Newsom, C. R. Norbeck, E. Olson, J. Onel, Y. Ozok, F. Sen, S. Wetzel, J. Yetkin, T. Yi, K. Barnett, B. A. Blumenfeld, B. Bonato, A. Eskew, C. Fehling, D. Giurgiu, G. Gritsan, A. V. Guo, Z. J. Hu, G. Maksimovic, P. Rappoccio, S. Swartz, M. Tran, N. V. Whitbeck, A. Baringer, P. Bean, A. Benelli, G. Grachov, O. Kenny, R. P., III Murray, M. Noonan, D. Sanders, S. Stringer, R. Wood, J. S. Zhukova, V. Barfuss, A. F. Bolton, T. Chakaberia, I. Ivanov, A. Khalil, S. Makouski, M. Maravin, Y. Shrestha, S. Svintradze, I. Gronberg, J. Lange, D. Wright, D. Baden, A. Boutemeur, M. Eno, S. C. Ferencek, D. Gomez, J. A. Hadley, N. J. Kellogg, R. G. Kirn, M. Lu, Y. Mignerey, A. C. Rossato, K. Rumerio, P. Santanastasio, F. Skuja, A. Temple, J. Tonjes, M. B. Tonwar, S. C. Twedt, E. Alver, B. Bauer, G. Bendavid, J. Busza, W. Butz, E. Cali, I. A. Chan, M. Dutta, V. Everaerts, P. Ceballos, G. Gomez Goncharov, M. Hahn, K. A. Harris, P. Kim, Y. Klute, M. Lee, Y. -J. Li, W. Loizides, C. Luckey, P. D. Ma, T. Nahn, S. Paus, C. Ralph, D. Roland, C. Roland, G. Rudolph, M. Stephans, G. S. F. Stoeckli, F. Sumorok, K. Sung, K. Velicanu, D. Wenger, E. A. Wolf, R. Wyslouch, B. Xie, S. Yang, M. Yilmaz, Y. Yoon, A. S. Zanetti, M. Cooper, S. I. Cushman, P. Dahmes, B. De Benedetti, A. Franzoni, G. Gude, A. Haupt, J. Klapoetke, K. Kubota, Y. Mans, J. Pastika, N. Rekovic, V. Rusack, R. Sasseville, M. Singovsky, A. Tambe, N. Turkewitz, J. Cremaldi, L. M. Godang, R. Kroeger, R. Perera, L. Rahmat, R. Sanders, D. A. Summers, D. Bloom, K. Bose, S. Butt, J. Claes, D. R. Dominguez, A. Eads, M. Jindal, P. Keller, J. Kelly, T. Kravchenko, I. Lazo-Flores, J. Malbouisson, H. Malik, S. Snow, G. R. Baur, U. Godshalk, A. Iashvili, I. Jain, S. Kharchilava, A. Kumar, A. Smith, K. Wan, Z. Alverson, G. Barberis, E. Baumgartel, D. Boeriu, O. Chasco, M. Reucroft, S. Swain, J. Trocino, D. Wood, D. Zhang, J. Anastassov, A. Kubik, A. Mucia, N. Odell, N. Ofierzynski, R. A. Pollack, B. Pozdnyakov, A. Schmitt, M. Stoynev, S. Velasco, M. Won, S. Antonelli, L. Berry, D. Brinkerhoff, A. Hildreth, M. Jessop, C. Karmgard, D. J. Kolb, J. Kolberg, T. Lannon, K. Luo, W. Lynch, S. Marinelli, N. Morse, D. M. Pearson, T. Ruchti, R. Slaunwhite, J. Valls, N. Wayne, M. Ziegler, J. Bylsma, B. Durkin, L. S. Hill, C. Killewald, P. Kotov, K. Ling, T. Y. Rodenburg, M. Vuosalo, C. Williams, G. Adam, N. Berry, E. Elmer, P. Gerbaudo, D. Halyo, V. Hebda, P. Hunt, A. Laird, E. Pegna, D. Lopes Marlow, D. Medvedeva, T. Mooney, M. Olsen, J. Piroue, P. Quan, X. Safdi, B. Saka, H. Stickland, D. Tully, C. Werner, J. S. Zuranski, A. Acosta, J. G. Huang, X. T. Lopez, A. Mendez, H. Oliveros, S. Vargas, J. E. Ramirez Zatserklyaniy, A. Alagoz, E. Barnes, V. E. Bolla, G. Borrello, L. Bortoletto, D. De Mattia, M. Everett, A. Gutay, L. Hu, Z. Jones, M. Koybasi, O. Kress, M. Laasanen, A. T. Leonardo, N. Maroussov, V. Merkel, P. Miller, D. H. Neumeister, N. Shipsey, I. Silvers, D. Svyatkovskiy, A. Marono, M. Vidal Yoo, H. D. Zablocki, J. Zheng, Y. Guragain, S. Parashar, N. Adair, A. Boulahouache, C. Ecklund, K. M. Geurts, F. J. M. Padley, B. P. Redjimi, R. Roberts, J. Zabel, J. Betchart, B. Bodek, A. Chung, Y. S. Covarelli, R. de Barbaro, P. Demina, R. Eshaq, Y. Flacher, H. Garcia-Bellido, A. Goldenzweig, P. Gotra, Y. Han, J. Harel, A. Miner, D. C. Petrillo, G. Sakumoto, W. Vishnevskiy, D. Zielinski, M. Bhatti, A. Ciesielski, R. Demortier, L. Goulianos, K. Lungu, G. Malik, S. Mesropian, C. Arora, S. Atramentov, O. Barker, A. Contreras-Campana, C. Contreras-Campana, E. Duggan, D. Gershtein, Y. Gray, R. Halkiadakis, E. Hidas, D. Hits, D. Lath, A. Panwalkar, S. Park, M. Patel, R. Richards, A. Rose, K. Schnetzer, S. Somalwar, S. Stone, R. Thomas, S. Cerizza, G. Hollingsworth, M. Spanier, S. Yang, Z. C. York, A. Eusebi, R. Flanagan, W. Gilmore, J. Gurrola, A. Kamon, T. Khotilovich, V. Montalvo, R. Osipenkov, I. Pakhotin, Y. Perloff, A. Roe, J. Safonov, A. Sengupta, S. Suarez, I. Tatarinov, A. Toback, D. Akchurin, N. Bardak, C. Damgov, J. Dudero, P. R. Jeong, C. Kovitanggoon, K. Lee, S. W. Libeiro, T. Mane, P. Roh, Y. Sill, A. Volobouev, I. Wigmans, R. Yazgan, E. Appelt, E. Brownson, E. Engh, D. Florez, C. Gabella, W. Issah, M. Johns, W. Johnston, C. Kurt, P. Maguire, C. Melo, A. Sheldon, P. Snook, B. Tuo, S. Velkovska, J. Arenton, M. W. Balazs, M. Boutle, S. Cox, B. Francis, B. Goadhouse, S. Goodell, J. Hirosky, R. Ledovskoy, A. Lin, C. Neu, C. Wood, J. Yohay, R. Gollapinni, S. Harr, R. Karchin, P. E. Don, C. Kottachchi Kankanamge Lamichhane, P. Mattson, M. Milstene, C. Sakharov, A. Anderson, M. Bachtis, M. Belknap, D. Bellinger, J. N. Carlsmith, D. Cepeda, M. Dasu, S. Efron, J. Friis, E. Gray, L. Grogg, K. S. Grothe, M. Hall-Wilton, R. Herndon, M. Herve, A. Klabbers, P. Klukas, J. Lanaro, A. Lazaridis, C. Leonard, J. Loveless, R. Mohapatra, A. Ojalvo, I. Parker, W. Ross, I. Savin, A. Smith, W. H. Swanson, J. Weinberg, M. CA CMS Collaboration TI Performance of tau-lepton reconstruction and identification in CMS SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Si microstrip and pad detectors; Calorimeter methods; Detector modelling and simulations I (interaction of radiation with matter, interaction of photons with matter, interaction of hadrons with matter,etc) AB The performance of tau-lepton reconstruction and identification algorithms is studied using a data sample of proton-proton collisions at root s = 7 TeV, corresponding to an integrated luminosity of 36 pb(-1) collected with the CMS detector at the LHC. The tau leptons that decay into one or three charged hadrons, zero or more short-lived neutral hadrons, and a neutrino are identified using final-state particles reconstructed in the CMS tracker and electromagnetic calorimeter. The reconstruction efficiency of the algorithms is measured using tau leptons produced in Z-boson decays. The tau-lepton misidentification rates for jets and electrons are determined. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. M.; Hammer, J.; Haensel, S.; Hoch, M.; Hoermann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Krammer, M.; Liko, D.; Mikulec, I.; Pernicka, M.; Rahbaran, B.; Rohringer, H.; Schoefbeck, R.; Strauss, J.; Taurok, A.; Teischinger, F.; Trauner, C.; Wagner, P.; Waltenberger, W.; Walzel, G.; Widl, E.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Gonzalez, J. Suarez] Natl Ctr Particle & High Energy Phys, Minsk, Byelarus. [Bansal, S.; Benucci, L.; De Wolf, E. A.; Janssen, X.; Luyckx, S.; Maes, T.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Selvaggi, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.] Univ Antwerp, B-2020 Antwerp, Belgium. [Blekman, F.; Blyweert, S.; D'Hondt, J.; Suarez, R. Gonzalez; Kalogeropoulos, A.; Maes, M.; Olbrechts, A.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.] Vrije Univ Brussel, Brussels, Belgium. [Charaf, O.; Clerbaux, B.; De Lentdecker, G.; Dero, V.; Gay, A. P. R.; Hammad, G. H.; Hreus, T.; Marage, P. E.; Raval, A.; Thomas, L.; Vander Marcken, G.; Vander Velde, C.; Vanlaer, P.] Univ Libre Bruxelles, Brussels, Belgium. [Adler, V.; Cimmino, A.; Costantini, S.; Grunewald, M.; Klein, B.; Lellouch, J.; Marinov, A.; Mccartin, J.; Ryckbosch, D.; Thyssen, F.; Tytgat, M.; Vanelderen, L.; Verwilligen, P.; Walsh, S.; Zaganidis, N.] Univ Ghent, B-9000 Ghent, Belgium. [Basegmez, S.; Bruno, G.; Caudron, J.; Ceard, L.; Gil, E. Cortina; De Jeneret, J. De Favereau; Delaere, C.; Favart, D.; Giammanco, A.; Gregoire, G.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Ovyn, S.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Schul, N.] Catholic Univ Louvain, B-1348 Louvain, Belgium. [Beliy, N.; Caebergs, T.; Daubie, E.] Univ Mons, B-7000 Mons, Belgium. [Alves, G. A.; Brito, L.; De Jesus Damiao, D.; Pol, M. E.; Souza, M. H. G.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Alda Junior, W. L.; Carvalho, W.; Da Costa, E. M.; De Oliveira Martins, C.; Fonseca De Souza, S.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Oguri, V.; Prado Da Silva, W. L.; Santoro, A.; Silva Do Amaral, S. M.; Sznajder, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Anjos, T. S.; Bernardes, C. A.; Dias, F. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Lagana, C.; Marinho, F.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Darmenov, N.; Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vutova, M.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Dimitrov, A.; Hadjiiska, R.; Karadzhinova, A.; Kozhuharov, V.; Litov, L.; Mateev, M.; Pavlov, B.; Petkov, P.] Univ Sofia, BU-1126 Sofia, Bulgaria. [Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, J.; Wang, J.; Wang, X.; Wang, Z.; Xiao, H.; Xu, M.; Zang, J.; Zhang, Z.] Inst High Energy Phys, Beijing 100039, Peoples R China. [Ban, Y.; Guo, S.; Guo, Y.; Li, W.; Mao, Y.; Qian, S. J.; Teng, H.; Zhu, B.; Zou, W.] Peking Univ, State Key Lab Nucl Phys & Tech, Beijing 100871, Peoples R China. [Cabrera, A.; Gomez Moreno, B.; Ocampo Rios, A. A.; Osorio Oliveros, A. F.; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Lelas, K.; Plestina, R.; Polic, D.; Puljak, I.] Tech Univ Split, Split, Croatia. [Antunovic, Z.; Dzelalija, M.; Kovac, M.] Univ Split, Split, Croatia. [Brigljevic, V.; Duric, S.; Kadija, K.; Luetic, J.; Morovic, S.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; Galanti, M.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.] Univ Cyprus, Nicosia, Cyprus. [Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Assran, Y.; Kamel, A. Ellithi; Khalil, S.; Mahmoud, M. A.; Radi, A.] Acad Sci Res & Technol Arab Republ Egypt, Egyptian Network High Energy Phys, Cairo, Egypt. [Hektor, A.; Kadastik, M.; Muentel, M.; Raidal, M.; Rebane, L.; Tiko, A.] NICPB, Tallinn, Estonia. [Azzolini, V.; Eerola, P.; Fedi, G.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Czellar, S.; Harkonen, J.; Heikkinen, A.; Karimaki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maenpaa, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Banzuzi, K.; Karjalainen, A.; Korpela, A.; Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Sillou, D.] CNRS, Lab Annecy le Vieux Phys Particules, IN2P3, Annecy Le Vieux, France. [Besancon, M.; Choudhury, S.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; De Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Marionneau, M.; Millischer, L.; Rander, J.; Rosowsky, A.; Shreyber, I.; Titov, M.] CEA Saclay, DSM IRFU, F-91191 Gif Sur Yvette, France. [Plestina, R.; Baffioni, S.; Beaudette, F.; Benhabib, L.; Bianchini, L.; Bluj, M.; Broutin, C.; Busson, P.; Charlot, C.; Dahms, T.; Dobrzynski, L.; Elgammal, S.; de Cassagnac, R. Granier; Haguenauer, M.; Mine, P.; Mironov, C.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Thiebaux, C.; Veelken, C.; Zabi, A.; Bernet, C.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Agram, J. -L.; Andrea, J.; Bloch, D.; Bodin, D.; Brom, J. -M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Ferro, C.; Fontaine, J. -C.; Gele, D.; Goerlach, U.; Greder, S.; Juillot, P.; Karim, M.; Le Bihan, A. -C.; Mikami, Y.; Van Hove, P.] Univ Haute Alsace Mulhouse, Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, CNRS,IN2P3, Strasbourg, France. [Fassi, F.; Mercier, D.] IN2P3, Ctr Calcul, Villeurbanne, France. [Baty, C.; Beauceron, S.; Beaupere, N.; Bedjidian, M.; Bondu, O.; Boudoul, G.; Boumediene, D.; Brun, H.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Ille, B.; Kurca, T.; Le Grand, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sordini, V.; Tosi, S.; Tschudi, Y.; Verdier, P.; Viret, S.] Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. [Lomidze, D.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Anagnostou, G.; Beranek, S.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Mohr, N.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Weber, M.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Ata, M.; Dietz-Laursonn, E.; Erdmann, M.; Hebbeker, T.; Heidemann, C.; Hinzmann, A.; Hoepfner, K.; Klimkovich, T.; Klingebiel, D.; Kreuzer, P.; Lanske, D.; Lingemann, J.; Magass, C.; Merschmeyer, M.; Meyer, A.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bontenackels, M.; Cherepanov, V.; Davids, M.; Fluegge, G.; Geenen, H.; Giffels, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Linn, A.; Nowack, A.; Perchalla, L.; Pooth, O.; Rennefeld, J.; Sauerland, P.; Stahl, A.; Tornier, D.; Zoeller, M. H.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Martin, M. Aldaya; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Bethani, A.; Borras, K.; Cakir, A.; Campbell, A.; Castro, E.; Dammann, D.; Eckerlin, G.; Eckstein, D.; Flossdorf, A.; Flucke, G.; Geiser, A.; Hauk, J.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Kraemer, M.; Kruecker, D.; Kuznetsova, E.; Lange, W.; Lohmann, W.; Lutz, B.; Mankel, R.; Marienfeld, M.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Olzem, J.; Petrukhin, A.; Pitzl, D.; Raspereza, A.; Rosin, M.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Spiridonov, A.; Stein, M.; Tomaszewska, J.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Autermann, C.; Blobel, V.; Bobrovskyi, S.; Draeger, J.; Enderle, H.; Gebbert, U.; Goerner, M.; Hermanns, T.; Kaschube, K.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Lange, J.; Mura, B.; Naumannemme, S.; Nowak, F.; Pietsch, N.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schroeder, M.; Schum, T.; Stadie, H.; Steinbrueck, G.; Thomsen, J.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Bauer, J.; Berger, J.; Buege, V.; Chwalek, T.; De Boer, W.; Dierlamm, A.; Dirkes, G.; Feindt, M.; Gruschke, J.; Hackstein, C.; Hartmann, F.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Honc, S.; Katkov, I.; Komaragiri, J. R.; Kuhr, T.; Martschei, D.; Mueller, S.; Mueller, Th; Niegel, M.; Oberst, O.; Oehler, A.; Ott, J.; Peiffer, T.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Ratnikova, N.; Renz, M.; Roecker, S.; Saout, C.; Scheurer, A.; Schieferdecker, P.; Schilling, F. -P.; Schmanau, M.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Wagner-Kuhr, J.; Weiler, T.; Zeise, M.; Ziebarth, E. B.] Univ Karlsruhe, Inst Expt Kernphys, D-7500 Karlsruhe, Germany. [Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Mavrommatis, C.; Ntomari, E.; Petrakou, E.] Inst Nucl Phys Demokritos, Aghia Paraskevi, Greece. [Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Sphicas, P.] Univ Athens, Athens, Greece. [Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Patras, V.; Triantis, F. A.] Univ Ioannina, GR-45110 Ioannina, Greece. [Aranyi, A.; Bencze, G.; Boldizsar, L.; Hajdu, C.; Hidas, P.; Horvath, D.; Kapusi, A.; Krajczar, K.; Sikler, F.; Veres, G. I.; Vesztergombi, G.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [Horvath, D.; Beni, N.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Veszpremi, V.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, H-4012 Debrecen, Hungary. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Jindal, M.; Kaur, M.; Kohli, J. M.; Mehta, M. Z.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, A. P.; Singh, J.; Singh, S. P.] Panjab Univ, Chandigarh 160014, India. [Ahuja, S.; Choudhary, B. C.; Gupta, P.; Kumar, A.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Dutta, S.; Gomber, B.; Jain, S.; Jain, S.; Khurana, R.; Sarkar, S.] Saha Inst Nucl Phys, Kolkata, India. [Choudhury, R. K.; Dutta, D.; Kailas, S.; Kumar, V.; Mehta, P.; Mohanty, A. K.; Pant, L. M.; Shukla, P.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Aziz, T.; Guchait, M.; Gurtu, A.; Maity, M.; Majumder, D.; Majumder, G.; Mathew, T.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Saha, A.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res EHEP, Bombay, Maharashtra, India. [Guchait, M.; Banerjee, S.; Dugad, S.; Mondal, N. K.] Tata Inst Fundamental Res HECR, Bombay, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Hesari, H.; Jafari, A.; Khakzad, M.; Mohammadi, A.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res & Fundamental Sci IPM, Tehran, Iran. [Abbrescia, M.; Barbone, L.; Calabria, C.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Lusito, L.; Maggi, G.; Maggi, M.; Manna, N.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pierro, G. A.; Pompili, A.; Pugliese, G.; Romano, F.; Roselli, G.; Selvaggi, G.; Silvestris, L.; Trentadue, R.; Tupputi, S.; Zito, G.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; De Palma, M.; Lusito, L.; Manna, N.; Marangelli, B.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Roselli, G.; Selvaggi, G.; Tupputi, S.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.; Romano, F.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Giunta, M.; Grandi, C.; Marcellini, S.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Braibant-Giacomelli, S.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Masetti, G.; Meneghelli, M.; Navarria, F. L.; Rossi, A. M.; Rovelli, T.; Siroli, G.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, F.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Musenich, R.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Ghezzi, A.; Malvezzi, S.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Sala, S.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Ghezzi, A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Montoya, C. A. Carrillo; Cavallo, N.; De Cosa, A.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [De Cosa, A.; Merola, M.] Univ Naples Federico II, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bellan, P.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Dosselli, U.; Fanzago, F.; Gasparini, F.; Gasparini, U.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Mazzucato, M.; Meneguzzo, A. T.; Nespolo, M.; Perrozzi, L.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zotto, P.; Zumerle, G.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bellan, P.; Bisello, D.; Carlin, R.; Gasparini, F.; Gasparini, U.; Margoni, M.; Meneguzzo, A. T.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zumerle, G.] Univ Padua, Padua, Italy. [Lazzizzera, I.] Univ Trent, Padua, Italy. [Baesso, P.; Berzano, U.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.; Viviani, C.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Baesso, P.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.; Viviani, C.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Caponeri, B.; Fano, L.; Lariccia, P.; Lucaroni, A.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Santocchia, A.; Taroni, S.; Valdata, M.; Pioppi, M.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Caponeri, B.; Fano, L.; Lariccia, P.; Lucaroni, A.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Taroni, S.; Valdata, M.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Segneri, G.; Serban, A. T.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Bernardini, J.; Fiori, F.; Messineo, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Azzurri, P.; Broccolo, G.; D'Agnolo, R. T.; Foa, L.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Di Marco, E.; Diemoz, M.; Franci, D.; Grassi, M.; Longo, E.; Meridiani, P.; Nourbakhsh, S.; Organtini, G.; Pandolfi, F.; Paramatti, R.; Rahatlou, S.; Sigamani, M.; Rovelli, C.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Di Marco, E.; Franci, D.; Longo, E.; Organtini, G.; Pandolfi, F.; Rahatlou, S.; Rovelli, C.] Univ Roma La Sapienza, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Botta, C.; Cartiglia, N.; Castello, R.; Costa, M.; Demaria, N.; Graziano, A.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Sola, V.; Solano, A.; Staiano, A.; Pereira, A. Vilela] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Botta, C.; Castello, R.; Costa, M.; Graziano, A.; Migliore, E.; Monaco, V.; Pelliccioni, M.; Potenza, A.; Romero, A.; Sacchi, R.; Sola, V.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Della Ricca, G.; Marone, M.; Montanino, D.] Univ Trieste, Trieste, Italy. [Heo, S. G.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Chung, J.; Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Park, H.; Ro, S. R.; Son, D. C.; Son, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Jo, H. Y.] Konkuk Univ, Seoul, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, J. H.; Kim, T. J.; Lee, K. S.; Moon, D. H.; Park, S. K.; Seo, E.; Sim, K. S.] Korea Univ, Seoul, South Korea. [Choi, M.; Kang, S.; Kim, H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Cho, Y.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Martisiute, D.; Petrov, P.; Polujanskas, M.; Sabonis, T.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Magana Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.; Tam, J.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Doesburg, R.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Ahmed, I.; Ansari, M. H.; Asghar, M. I.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Brona, G.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Bluj, M.; Frueboes, T.; Gokieli, R.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Soltan Inst Nucl Studies, PL-00681 Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Musella, P.; Nayak, A.; Pela, J.; Ribeiro, P. Q.; Seixas, J.; Varela, J.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Belotelov, I.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Kamenev, A.; Karjavin, V.; Kozlov, G.; Lanev, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Toropin, A.; Troitsky, S.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kaftanov, V.; Kossov, M.; Krokhotin, A.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Korablev, A.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] State Res Ctr Russian Federat, Inst High Energy Phys, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Diez Pardos, C.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; Codispoti, G.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Vizan Garcia, J. M.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Jorda, C.; Lobelle Pardo, P.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Sobron Sanudo, M.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Hammer, J.; Darmenov, N.; Genchev, V.; Iaydjiev, P.; Jung, H.; Foudas, C.; Hajdu, C.; Sikler, F.; Mohanty, A. K.; De Filippis, N.; Fasanella, D.; Tropiano, A.; Benaglia, A.; Gennai, S.; Massironi, A.; Montoya, C. A. Carrillo; Iorio, A. O. M.; Bacchetta, N.; Nespolo, M.; Tosi, M.; Lucaroni, A.; Taroni, S.; Tonelli, G.; Venturi, A.; Del Re, D.; Grassi, M.; Gallinaro, M.; Pela, J.; Kossov, M.; Grishin, V.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Baillon, P.; Ball, A. H.; Barney, D.; Bell, A. J.; Benedetti, D.; Bernet, C.; Bialas, W.; Bloch, P.; Bocci, A.; Bolognesi, S.; Bona, M.; Breuker, H.; Bunkowski, K.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Cure, B.; D'Enterria, D.; De Roeck, A.; Di Guida, S.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Gaddi, A.; Georgiou, G.; Gerwig, H.; Gigi, D.; Gill, K.; Giordano, D.; Glege, F.; Garrido, R. Gomez-Reino; Gouzevitch, M.; Govoni, P.; Gowdy, S.; Guida, R.; Guiducci, L.; Hansen, M.; Hartl, C.; Harvey, J.; Hegeman, J.; Hegner, B.; Hoffmann, H. F.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Lecoq, P.; Lenzi, P.; Lourenco, C.; Maeki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Maurisset, A.; Mavromanolakis, G.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mozer, M. U.; Mulders, M.; Nesvold, E.; Nguyen, M.; Orimoto, T.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rommerskirchen, T.; Rovelli, C.; Rovere, M.; Sakulin, H.; Schaefer, C.; Schwick, C.; Segoni, I.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Spiropulu, M.; Stoye, M.; Tsirou, A.; Vichoudis, P.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.; Kovalskyi, D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Sibille, J.; Caminada, L.; Marchica, C.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Caminada, L.; Casal, B.; Chanon, N.; Chen, Z.; Cittolin, S.; Dissertori, G.; Dittmar, M.; Eugster, J.; Freudenreich, K.; Grab, C.; Hintz, W.; Lecomte, P.; Lustermann, W.; Marchica, C.; del Arbol, P. Martinez Ruiz; Milenovic, P.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pape, L.; Pauss, F.; Punz, T.; Rizzi, A.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Sawley, M. -C.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, M.; Wehrli, L.; Weng, J.] ETH, Inst Particle Phys, Zurich, Switzerland. [Aguilo, E.; Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Jaeger, A.; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Schmidt, A.; Snoek, H.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Kuo, C. M.; Li, S. W.; Lin, W.; Liu, Z. K.; Lu, Y. J.; Mekterovic, D.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Uzun, D.; Vergili, L. N.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Deliomeroglu, M.; Demir, D.; Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozbek, M.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Levchuk, L.] Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-310108 Kharkov, Ukraine. [Bostock, F.; Brooke, J. J.; Cheng, T. L.; Clement, E.; Cussans, D.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.] Univ Bristol, Bristol, Avon, England. [Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Camanzi, B.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburnsmith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Ballin, J.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Papageorgiou, A.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rompotis, N.; Rose, A.; Ryan, M. J.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Tourneur, S.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Wardrope, D.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Barrett, M.; Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Martin, W.; Reid, I. D.; Teodorescu, L.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.] Baylor Univ, Waco, TX 76798 USA. [Henderson, C.] Univ Alabama, Tuscaloosa, AL USA. [Bose, T.; Jarrin, E. Carrera; Fantasia, C.; Heister, A.; John, J. St.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Avetisyan, A.; Bhattacharya, S.; Chou, J. P.; Cutts, D.; Ferapontov, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Landsberg, G.; Luk, M.; Narain, M.; Nguyen, D.; Segala, M.; Sinthuprasith, T.; Speer, T.; Tsang, K. V.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Liu, H.; Mall, O.; Maruyama, S.; Miceli, T.; Nikolic, M.; Pellett, D.; Robles, J.; Rutherford, B.; Salur, S.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez] Univ Calif Davis, Davis, CA 95616 USA. [Felcini, M.; Andreev, V.; Arisaka, K.; Cline, D.; Cousins, R.; Deisher, A.; Duris, J.; Erhan, S.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Plager, C.; Rakness, G.; Schlein, P.; Tucker, J.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Jeng, G. Y.; Kao, S. C.; Liu, H.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Evans, D.; Golf, F.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pi, H.; Pieri, M.; Ranieri, R.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; Incandela, J.; Justus, C.; Kalavase, P.; Koay, S. A.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Mccoll, N.; Mullin, S. D.; Pavlunin, V.; Rebassoo, F.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; Vlimant, J. R.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Spiropulu, M.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Gataullin, M.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Shin, K.; Timciuc, V.; Traczyk, P.; Veverka, J.; Wilkinson, R.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Akgun, B.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Jun, S. Y.; Liu, Y. F.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Dinardo, M. E.; Drell, B. R.; Edelmaier, C. J.; Ford, W. T.; Gaz, A.; Heyburn, B.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.; Zang, S. L.] Univ Colorado, Boulder, CO 80309 USA. [Agostino, L.; Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heltsley, B.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Kaufman, G. Nicolas; Patterson, J. R.; Puigh, D.; Ryd, A.; Salvati, E.; Shi, X.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Biselli, A.; Cirino, G.; Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Atac, M.; Bakken, J. A.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bloch, I.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cooper, W.; Eartly, D. P.; Elvira, V. D.; Esen, S.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jensen, H.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kousouris, K.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Limon, P.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Mason, D.; McBride, P.; Miao, T.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Pivarski, J.; Pordes, R.; Prokofyev, O.; Schwarz, T.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Tan, P.; Taylor, L.; Tkaczyk, S.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yumiceva, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Piedra Gomez, J.; Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Gartner, J.; Goldberg, S.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Mitselmakher, G.; Muniz, L.; Myeonghun, P.; Remington, R.; Rinkevicius, A.; Schmitt, M.; Scurlock, B.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Wang, D.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Prosper, H.; Sekmen, S.; Veeraraghavan, V.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Callner, J.; Cavanaugh, R.; Dragoiu, C.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kunde, G. J.; Lacroix, F.; Malek, M.; O'Brien, C.; Silkworth, C.; Silvestre, C.; Smoron, A.; Strom, D.; Varelas, N.] Univ Illinois Chicago UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Lae, C. K.; McCliment, E.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Olson, J.; Onel, Y.; Ozok, F.; Sen, S.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bonato, A.; Eskew, C.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Rappoccio, S.; Swartz, M.; Tran, N. V.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Grachov, O.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wood, J. S.; Zhukova, V.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Boutemeur, M.; Eno, S. C.; Ferencek, D.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Lu, Y.; Mignerey, A. C.; Rossato, K.; Rumerio, P.; Santanastasio, F.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Twedt, E.] Univ Maryland, College Pk, MD 20742 USA. [Alver, B.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Everaerts, P.; Ceballos, G. Gomez; Goncharov, M.; Hahn, K. A.; Harris, P.; Kim, Y.; Klute, M.; Lee, Y. -J.; Li, W.; Loizides, C.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Xie, S.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Cushman, P.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Haupt, J.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rekovic, V.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Godang, R.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Bose, S.; Butt, J.; Claes, D. R.; Dominguez, A.; Eads, M.; Jindal, P.; Keller, J.; Kelly, T.; Kravchenko, I.; Lazo-Flores, J.; Malbouisson, H.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Baur, U.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Smith, K.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Boeriu, O.; Chasco, M.; Reucroft, S.; Swain, J.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Kubik, A.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Antonelli, L.; Berry, D.; Brinkerhoff, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Kolberg, T.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Ziegler, J.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Bylsma, B.; Durkin, L. S.; Hill, C.; Killewald, P.; Kotov, K.; Ling, T. Y.; Rodenburg, M.; Vuosalo, C.; Williams, G.] Ohio State Univ, Columbus, OH 43210 USA. [Adam, N.; Berry, E.; Elmer, P.; Gerbaudo, D.; Halyo, V.; Hebda, P.; Hunt, A.; Laird, E.; Pegna, D. Lopes; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Safdi, B.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Acosta, J. G.; Huang, X. T.; Lopez, A.; Mendez, H.; Oliveros, S.; Vargas, J. E. Ramirez; Zatserklyaniy, A.] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. E.; Bolla, G.; Borrello, L.; Bortoletto, D.; De Mattia, M.; Everett, A.; Gutay, L.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Chung, Y. S.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Flacher, H.; Garcia-Bellido, A.; Goldenzweig, P.; Gotra, Y.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Sakumoto, W.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Atramentov, O.; Barker, A.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hits, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Richards, A.; Rose, K.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Eusebi, R.; Flanagan, W.; Gilmore, J.; Gurrola, A.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sengupta, S.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Bardak, C.; Damgov, J.; Dudero, P. R.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Mane, P.; Roh, Y.; Sill, A.; Volobouev, I.; Wigmans, R.; Yazgan, E.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Brownson, E.; Engh, D.; Florez, C.; Gabella, W.; Issah, M.; Johns, W.; Johnston, C.; Kurt, P.; Maguire, C.; Melo, A.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN USA. [Arenton, M. W.; Balazs, M.; Boutle, S.; Cox, B.; Francis, B.; Goadhouse, S.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.; Yohay, R.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Mattson, M.; Milstene, C.; Sakharov, A.] Wayne State Univ, Detroit, MI USA. [Anderson, M.; Bachtis, M.; Belknap, D.; Bellinger, J. N.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Efron, J.; Friis, E.; Gray, L.; Grogg, K. S.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Leonard, J.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Parker, W.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.; Weinberg, M.] Univ Wisconsin, Madison, WI 53706 USA. [Anjos, T. S.; Bernardes, C. A.; Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Santo Andre, Dominican Rep. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Khalil, S.] British Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Radi, A.] Ain Shams Univ, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Drouhin, F.; Fontaine, J. -C.; Karim, M.] Univ Haute Alsace, Mulhouse, France. [Bergholz, M.; Lohmann, W.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Krajczar, K.; Veres, G. I.; Vesztergombi, G.] Eotvos Lorand Univ, Budapest, Hungary. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Bakhshiansohi, H.; Fahim, A.; Jafari, A.] Sharif Univ Technol, Tehran, Iran. [Etesami, S. M.; Zeinali, M.] Isfahan Univ Technol, Esfahan, Iran. [Mohammadi, A.] Shiraz Univ, Shiraz, Iran. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata, I-85100 Potenza, Italy. [Lacaprara, S.; Sibille, J.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [Martini, L.] Univ Siena, I-53100 Siena, Italy. [Bell, A. J.] Univ Geneva, Geneva, Switzerland. [Rolandi, G.] Ist Nazl Fis Nucl, Scuola Normale & Sez, Pisa, Italy. [Bakirci, M. N.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. [Cerci, S.; Cerci, D. Sunar; Tali, B.] Adiyaman Univ, Adiyaman, Turkey. [Sogut, K.] Mersin Univ, Mersin, Turkey. [Demir, D.] Izmir Inst Technol, Izmir, Turkey. [Kaya, M.; Kaya, O.] Kafkas Univ, Kars, Turkey. [Ozkorucuklu, S.] Suleyman Demirel Univ, TR-32200 Isparta, Turkey. [Sonmez, N.] Ege Univ, Izmir, Turkey. [Basso, L.; Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Kunde, G. J.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. RP Chatrchyan, S (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Lujan Center, LANL/G-4896-2012; Tinoco Mendes, Andre David/D-4314-2011; Tomei, Thiago/E-7091-2012; Focardi, Ettore/E-7376-2012; Lokhtin, Igor/D-7004-2012; Raidal, Martti/F-4436-2012; Novaes, Sergio/D-3532-2012; Padula, Sandra /G-3560-2012; Fruhwirth, Rudolf/H-2529-2012; Chen, Jie/H-6210-2011; Torassa, Ezio/I-1788-2012; Giacomelli, Paolo/B-8076-2009; Jeitler, Manfred/H-3106-2012; Wulz, Claudia-Elisabeth/H-5657-2011; Dudko, Lev/D-7127-2012; Venturi, Andrea/J-1877-2012; de Jesus Damiao, Dilson/G-6218-2012; Montanari, Alessandro/J-2420-2012; Amapane, Nicola/J-3683-2012; tosi, mia/J-5777-2012; Petrushanko, Sergey/D-6880-2012; Snigirev, Alexander/D-8912-2012; Mercadante, Pedro/K-1918-2012; Della Ricca, Giuseppe/B-6826-2013; Kadastik, Mario/B-7559-2008; Mundim, Luiz/A-1291-2012; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Gerbaudo, Davide/J-4536-2012; Andreev, Vladimir/M-8665-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Arce, Pedro/L-1268-2014; Flix, Josep/G-5414-2012; Azarkin, Maxim/N-2578-2015; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Seixas, Joao/F-5441-2013; Sznajder, Andre/L-1621-2016; Vilela Pereira, Antonio/L-4142-2016; Haj Ahmad, Wael/E-6738-2016; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Konecki, Marcin/G-4164-2015; Hernandez Calama, Jose Maria/H-9127-2015; Bedoya, Cristina/K-8066-2014; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Ragazzi, Stefano/D-2463-2009; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Marinho, Franciole/N-8101-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Russ, James/P-3092-2014; Dahms, Torsten/A-8453-2015; Hektor, Andi/G-1804-2011; Grandi, Claudio/B-5654-2015; Bernardes, Cesar Augusto/D-2408-2015; Ahmed, Ijaz/E-9144-2015; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Bartalini, Paolo/E-2512-2014; Codispoti, Giuseppe/F-6574-2014; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Azzi, Patrizia/H-5404-2012; Calderon, Alicia/K-3658-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Josa, Isabel/K-5184-2014; Calvo Alamillo, Enrique/L-1203-2014; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Santaolalla, Javier/C-3094-2013; Alves, Gilvan/C-4007-2013; Rolandi, Luigi (Gigi)/E-8563-2013; Zalewski, Piotr/H-7335-2013; Cavallo, Nicola/F-8913-2012; Ivanov, Andrew/A-7982-2013; Hill, Christopher/B-5371-2012; Markina, Anastasia/E-3390-2012; Troitsky, Sergey/C-1377-2014; Marlow, Daniel/C-9132-2014; Oguri, Vitor/B-5403-2013; Janssen, Xavier/E-1915-2013 OI Tinoco Mendes, Andre David/0000-0001-5854-7699; Tomei, Thiago/0000-0002-1809-5226; Focardi, Ettore/0000-0002-3763-5267; Novaes, Sergio/0000-0003-0471-8549; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Dudko, Lev/0000-0002-4462-3192; de Jesus Damiao, Dilson/0000-0002-3769-1680; Montanari, Alessandro/0000-0003-2748-6373; Amapane, Nicola/0000-0001-9449-2509; Della Ricca, Giuseppe/0000-0003-2831-6982; Mundim, Luiz/0000-0001-9964-7805; Vidal Marono, Miguel/0000-0002-2590-5987; Goldstein, Joel/0000-0003-1591-6014; Heath, Helen/0000-0001-6576-9740; Grassi, Marco/0000-0003-2422-6736; Gutsche, Oliver/0000-0002-8015-9622; CHANG, PAO-TI/0000-0003-4064-388X; Staiano, Amedeo/0000-0003-1803-624X; Tonelli, Guido Emilio/0000-0003-2606-9156; Beuselinck, Raymond/0000-0003-2613-7446; Stober, Fred/0000-0003-2620-3159; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Abbiendi, Giovanni/0000-0003-4499-7562; HSIUNG, YEE/0000-0003-4801-1238; Costa, Salvatore/0000-0001-9919-0569; Kasemann, Matthias/0000-0002-0429-2448; WANG, MIN-ZU/0000-0002-0979-8341; Landsberg, Greg/0000-0002-4184-9380; Rizzi, Andrea/0000-0002-4543-2718; Gershtein, Yuri/0000-0002-4871-5449; Malik, Sudhir/0000-0002-6356-2655; Leonidopoulos, Christos/0000-0002-7241-2114; Blekman, Freya/0000-0002-7366-7098; Martinez Ruiz del Arbol, Pablo/0000-0002-7737-5121; Arneodo, Michele/0000-0002-7790-7132; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Gerbaudo, Davide/0000-0002-4463-0878; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Arce, Pedro/0000-0003-3009-0484; Flix, Josep/0000-0003-2688-8047; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Seixas, Joao/0000-0002-7531-0842; Sznajder, Andre/0000-0001-6998-1108; Vilela Pereira, Antonio/0000-0003-3177-4626; Haj Ahmad, Wael/0000-0003-1491-0446; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Konecki, Marcin/0000-0001-9482-4841; Hernandez Calama, Jose Maria/0000-0001-6436-7547; Bedoya, Cristina/0000-0001-8057-9152; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Ragazzi, Stefano/0000-0001-8219-2074; Marinho, Franciole/0000-0002-7327-0349; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Dahms, Torsten/0000-0003-4274-5476; Hektor, Andi/0000-0001-7873-8118; Grandi, Claudio/0000-0001-5998-3070; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Codispoti, Giuseppe/0000-0003-0217-7021; Cerrada, Marcos/0000-0003-0112-1691; Azzi, Patrizia/0000-0002-3129-828X; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Ivanov, Andrew/0000-0002-9270-5643; Hill, Christopher/0000-0003-0059-0779; Troitsky, Sergey/0000-0001-6917-6600; FU Austrian Federal Ministry of Science and Research; Belgium Fonds de la Recherche Scientifique; Fonds voor Wetenschappelijk Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian Ministry of Education and Science; CERN; Chinese Academy of Sciences; Ministry of Science and Technology; National Natural Science Foundation of China; Colombian Funding Agency (COLCIENCIAS); Croatian Ministry of Science, Education and Sport; Research Promotion Foundation, Cyprus; Estonian Academy of Sciences; NICPB; Academy of Finland, Finnish Ministry of Education and Culture; Helsinki Institute of Physics; Institut National de Physique Nucleaire et de Physique des Particules / CNRS; Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; Bundesministerium fur Bildung und Forschung; Deutsche Forschungsgemeinschaft; Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; General Secretariat for Research and Technology, Greece; National Scientific Research Foundation; National Office for Research and Technology, Hungary; Department of Atomic Energy; Department of Science and Technology, India; Institute for Studies in Theoretical Physics and Mathematics, Iran; Science Foundation, Ireland; Istituto Nazionale di Fisica Nucleare, Italy; Korean Ministry of Education, Science and Technology; World Class University of NRF, Korea; Lithuanian Academy of Sciences; CINVESTAV; CONACYT; SEP; UASLP-FAI; Ministry of Science and Innovation, New Zealand; Pakistan Atomic Energy Commission; State Commission for Scientific Research, Poland; Fundacao para a Ciencia e a Tecnologia, Portugal; JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); Ministry of Science and Technologies of the Russian Federation; Russian Ministry of Atomic Energy; Russian Foundation for Basic Research; Ministry of Science and Technological Development of Serbia; Ministerio de Ciencia e Innovacion,; Programa Consolider-Ingenio, Spain; ETH Board; ETH Zurich; PSI; SNF; UniZH; Canton Zurich; SER; National Science Council, Taipei; Scientific and Technical Research Council of Turkey; Turkish Atomic Energy Authority; Science and Technology Facilities Council, U.K.; US Department of Energy; US National Science Foundation; Marie-Curie programme; European Research Council (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Council of Science and Industrial Research, India FX We wish to congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC machine. We thank the technical and administrative staff at CERN and other CMS institutes. This work was supported by the Austrian Federal Ministry of Science and Research; the Belgium Fonds de la Recherche Scientifique, and Fonds voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq, CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education and Science; CERN; the Chinese Academy of Sciences, Ministry of Science and Technology, and National Natural Science Foundation of China; the Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of Science, Education and Sport; the Research Promotion Foundation, Cyprus; the Estonian Academy of Sciences and NICPB; the Academy of Finland, Finnish Ministry of Education and Culture, and Helsinki Institute of Physics; the Institut National de Physique Nucleaire et de Physique des Particules / CNRS, and Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; the Bundesministerium fur Bildung und Forschung, Deutsche Forschungsgemeinschaft, and Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General Secretariat for Research and Technology, Greece; the National Scientific Research Foundation, and National Office for Research and Technology, Hungary; the Department of Atomic Energy and the Department of Science and Technology, India; the Institute for Studies in Theoretical Physics and Mathematics, Iran; the Science Foundation, Ireland; the Istituto Nazionale di Fisica Nucleare, Italy; the Korean Ministry of Education, Science and Technology and the World Class University program of NRF, Korea; the Lithuanian Academy of Sciences; the Mexican Funding Agencies (CINVESTAV, CONACYT, SEP, and UASLP-FAI); the Ministry of Science and Innovation, New Zealand; the Pakistan Atomic Energy Commission; the State Commission for Scientific Research, Poland; the Fundacao para a Ciencia e a Tecnologia, Portugal; JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); the Ministry of Science and Technologies of the Russian Federation, the Russian Ministry of Atomic Energy and the Russian Foundation for Basic Research; the Ministry of Science and Technological Development of Serbia; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI, SNF, UniZH, Canton Zurich, and SER); the National Science Council, Taipei; the Scientific and Technical Research Council of Turkey, and Turkish Atomic Energy Authority; the Science and Technology Facilities Council, U.K.; the US Department of Energy, and the US National Science Foundation.; Individuals have received support from the Marie-Curie programme and the European Research Council (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); and the Council of Science and Industrial Research, India. NR 19 TC 9 Z9 9 U1 2 U2 52 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR P01001 DI 10.1088/1748-0221/7/01/P01001 PG 33 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200115 ER PT J AU Chramowicz, J Kwan, S Prosser, A Winchell, M AF Chramowicz, J. Kwan, S. Prosser, A. Winchell, M. TI Evaluation of emerging parallel optical link technology for high energy physics SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Optical detector readout concepts; Modular electronics AB Modern particle detectors utilize optical fiber links to deliver event data to upstream trigger and data processing systems. Future detector systems can benefit from the development of dense arrangements of high speed optical links emerging from industry advancements in transceiver technology. Supporting data transfers of up to 120 Gbps in each direction, optical engines permit assembly of the optical transceivers in close proximity to ASICs and FPGAs. Test results of some of these parallel components will be presented including the development of pluggable FPGA Mezzanine Cards equipped with optical engines to provide to collaborators on the Versatile Link Common Project for the HI-LHC at CERN. C1 [Chramowicz, J.; Kwan, S.; Prosser, A.; Winchell, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Prosser, A (reprint author), Fermilab Natl Accelerator Lab, Pine St, Batavia, IL 60510 USA. EM aprosser@fnal.gov FU U.S. Department of Energy [DE-AC02-07CH11359] FX This work was supported by the U.S. Department of Energy, operated by Fermi Research Alliance, LLC under contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 4 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR C01007 DI 10.1088/1748-0221/7/01/C01007 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200007 ER PT J AU Crisp, J Fellenz, B Heikkinen, D Ibrahim, MA Meyer, T Vogel, G AF Crisp, J. Fellenz, B. Heikkinen, D. Ibrahim, M. A. Meyer, T. Vogel, G. TI Operation of the DC Current Transformer intensity monitors at FNAL during Run II SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - high energy (linear accelerators, synchrotrons); Beam-line instrumentation (beam position and profile monitors; beam-intensity monitors; bunch length monitors) AB Circulating beam intensity measurements at FNAL are provided by five DC current transformers (DCCT), one per machine. With the exception of the DCCT in the Recycler, all DCCT systems were designed and built at FNAL. This paper presents an overview of both DCCT systems, including the sensor, the electronics, and the front-end instrumentation software, as well as their performance during Run II. C1 [Crisp, J.; Fellenz, B.; Heikkinen, D.; Ibrahim, M. A.; Meyer, T.; Vogel, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Ibrahim, MA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM cadornaa@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy FX Work supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 8 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR T01002 DI 10.1088/1748-0221/7/01/T01002 PG 20 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200137 ER PT J AU Esteban, MC Arteche, F Iglesias, M Gimeno, A Arcega, FJ Johnson, M Cooper, WE AF Esteban, M. C. Arteche, F. Iglesias, M. Gimeno, A. Arcega, F. J. Johnson, M. Cooper, W. E. TI Power Network impedance effects on noise emission of DC-DC converters SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Voltage distributions; Detector grounding; Front-end electronics for detector readout AB The characterization of electromagnetic noise emissions of DC-DC converters is a critical issue that has been analyzed during the desing phase of CMS tracker upgrade. Previous simulation studies showed important variations in the level of conducted emissions when DC-DC converters are loaded/driven by different impedances and power network topologies. Several tests have been performed on real DC-DC converters to validate the Pspice model and simulation results. This paper presents these test results. Conducted noise emissions at the input and at the output terminals of DC-DC converters has been measured for different types of power and FEE impedances. Special attention has been paid to influence on the common-mode emissions by the carbon fiber material used to build the mechanical structure of the central detector. These study results show important recommendations and criteria to be applied in order to decrease the system noise level when integrating the DC-DC. C1 [Esteban, M. C.; Arteche, F.; Iglesias, M.; Gimeno, A.] Inst Tecnol Aragon, Zaragoza, Spain. [Arcega, F. J.] Univ Zaragoza, Zaragoza, Spain. [Johnson, M.; Cooper, W. E.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Esteban, MC (reprint author), Inst Tecnol Aragon, Zaragoza, Spain. EM cesteban@ita.es OI Arcega Solsona, Francisco Javier/0000-0002-9299-9717 FU Instituto Tecnologico de Aragon, Zaragoza, Spain; Grupo de Investigacion Aplicada (G.I.A.); Ministerio de Ciencia e Innovacion [FPA2010-22163-C02-01] FX The authors would like to thank Instituto Tecnologico de Aragon, Zaragoza, Spain and specially Dr. J.L. Pelegay, head of Grupo de Investigacion Aplicada (G.I.A.), for the support of this work. And Ministerio de Ciencia e Innovacion to grant FPA2010-22163-C02-01 "I+D en detectores para futuros aceleradores" Project. Also, we would like to thank to Dr. Claudio Rivetta from Stanford Linear Accelerator (SLAC) for the fruitful discussions about this work. NR 6 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR C01045 DI 10.1088/1748-0221/7/01/C01045 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200045 ER PT J AU Stogin, J Sen, T Moore, RS AF Stogin, J. Sen, T. Moore, R. S. TI Longitudinal dynamics and tomography in the Tevatron SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Accelerator modelling and simulations (multi-particle dynamics single-particle dynamics); Beam dynamics AB Motivated by the desire to understand the longitudinal effects of beam-beam forces, we study the longitudinal dynamics of protons and anti-protons at injection energy and top energy in the Tevatron. Multi-turn data of the longitudinal profiles are captured to reveal information about frequencies of oscillation, and changes in the bunch distributions. Tomographic reconstruction is used to create phase space maps which are subsequently used to find the momentum distributions. Changes in these distributions for both proton and anti-proton beams are also followed through the operational cycle. We report on the details of interesting dynamics during injection, acceleration and collisions. C1 [Sen, T.; Moore, R. S.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Stogin, J.] Princeton Univ, Princeton, NJ 08544 USA. RP Sen, T (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM tsen@fnal.gov FU Lee Teng summer internship program at Fermilab FX This study was begun when the first author was an undergraduate intern in the Lee Teng summer internship program of 2010 at Fermilab. We thank the program for its support. NR 8 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR T01001 DI 10.1088/1748-0221/7/01/T01001 PG 17 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200136 ER PT J AU Taki, K Adriani, O Bonechi, L Bongi, M Castellini, G D'Alessandro, R Fukatsu, K Haguenauer, M Itow, Y Kasahara, K Kawade, K Macina, D Mase, T Masuda, K Menjo, H Mitsuka, G Muraki, Y Noda, K Papini, P Perrot, AL Ricciarini, S Sako, T Shimizu, Y Suzuki, K Suzuki, T Tamura, T Torii, S Tricomi, A Turner, WC AF Taki, K. Adriani, O. Bonechi, L. Bongi, M. Castellini, G. D'Alessandro, R. Fukatsu, K. Haguenauer, M. Itow, Y. Kasahara, K. Kawade, K. Macina, D. Mase, T. Masuda, K. Menjo, H. Mitsuka, G. Muraki, Y. Noda, K. Papini, P. Perrot, A. L. Ricciarini, S. Sako, T. Shimizu, Y. Suzuki, K. Suzuki, T. Tamura, T. Torii, S. Tricomi, A. Turner, W. C. CA LHCf Collaboration TI Luminosity determination in root s=7 TeV proton collisions using the LHCf Front Counter at LHC SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Beam-line instrumentation (beam position and profile monitors; beam-intensity monitors; bunch length monitors); Accelerator Subsystems and Technologies; Scintillators, scintillation and light emission processes (solid, gas and liquid scintillators); Beam Optics AB In the Large Hadron Collider forward (LHCf) experiment, the luminosity is determined with the counting rates of detectors called Front Counter. During the LHCf physics operation at root s = 7 TeV in 2010, two series of calibration run in the conversion factors from the counting rate to the luminosity were carried out on 26th of April and 9th of May. Using the luminosities determined in the April and May scans with 5% and 4% accuracy, the conversion factors were determined with 5.0% accuracy, providing the luminosity determination at the LHCf experiment with this accuracy. C1 [Taki, K.; Fukatsu, K.; Itow, Y.; Kawade, K.; Mase, T.; Masuda, K.; Mitsuka, G.; Muraki, Y.; Sako, T.; Suzuki, K.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. [Adriani, O.; Bonechi, L.; Bongi, M.; Castellini, G.; D'Alessandro, R.; Papini, P.; Ricciarini, S.] Ist Nazl Fis Nucl, Sect Florence, I-50125 Florence, Italy. [Adriani, O.; Castellini, G.; D'Alessandro, R.] Univ Florence, Florence, Italy. [Haguenauer, M.] Ecole Polytech, Palaiseau, France. [Itow, Y.; Menjo, H.; Sako, T.] Nagoya Univ, Kobayashi Maskawa Inst Original Particle & Univer, Nagoya, Aichi 4648601, Japan. [Kasahara, K.; Shimizu, Y.; Suzuki, T.; Torii, S.] Waseda Univ, RISE, Tokyo, Japan. [Macina, D.; Perrot, A. L.] CERN, Geneva, Switzerland. [Noda, K.; Tricomi, A.] Ist Nazl Fis Nucl, Sect Catania, I-95129 Catania, Italy. [Ricciarini, S.] Ctr Siciliano Fis Nucl & Strttura Materia, Catania, Italy. [Tamura, T.] Kanagawa Univ, Yokohama, Kanagawa, Japan. [Tricomi, A.] Univ Catania, Catania, Italy. [Turner, W. C.] LBNL, Berkeley, CA USA. RP Taki, K (reprint author), Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. RI Masuda, Kimiaki/M-4932-2014; D'Alessandro, Raffaello/F-5897-2015; Bongi, Massimo/L-9417-2015; OI D'Alessandro, Raffaello/0000-0001-7997-0306; Bongi, Massimo/0000-0002-6050-1937; Castellini, Guido/0000-0002-0177-0643; Ricciarini, Sergio Bruno/0000-0001-6176-3368; Tricomi, Alessia Rita/0000-0002-5071-5501; Papini, Paolo/0000-0003-4718-2895 FU MEXT of Japan; Nagoya University GCOE hQFPUh from MEXT; Istituto Nazionale di Fisica Nucleare (INFN) in Italy FX The authors are grateful to the CERN staff, LHC Bunch Current Working Group and the ATLAS collaboration for supporting the LHCf experiment. This work is partly supported by Grant-in-Aid for Scientific research by MEXT of Japan and by the Grant-in-Aid for Nagoya University GCOE hQFPUh from MEXT. This work is also supported by Istituto Nazionale di Fisica Nucleare (INFN) in Italy. NR 4 TC 9 Z9 9 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR T01003 DI 10.1088/1748-0221/7/01/T01003 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200138 ER PT J AU Vasey, F Hall, D Huffman, T Kwan, S Prosser, A Soos, C Troska, J Weidberg, T Xiang, A Ye, J AF Vasey, F. Hall, D. Huffman, T. Kwan, S. Prosser, A. Soos, C. Troska, J. Weidberg, T. Xiang, A. Ye, J. TI The Versatile Link common project: feasibility report SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Optical detector readout concepts; Radiation-hard electronics; Front-end electronics for detector readout AB The Versatile Link is a bi-directional digital optical data link operating at rates up to 4.8 Gbit/s and featuring radiation-resistant low-power and low-mass front-end components. The system is being developed in multimode or singlemode versions operating at 850 nm or 1310 nm wavelength respectively. It has serial data interfaces and is protocol-agnostic, but is targeted to operate in tandem with the GigaBit Transceiver (GBT) serializer/deserializer chip being designed at CERN. This paper gives an overview of the project status three and a half years after its launch. It describes the challenges encountered and highlights the solutions proposed at the system as well as the component level. It concludes with a positive feasibility assesment and an outlook for future project development directions. C1 [Vasey, F.; Soos, C.; Troska, J.] CERN, Dept Phys, Geneva, Switzerland. [Hall, D.; Huffman, T.; Weidberg, T.] Univ Oxford, Dept Phys, Oxford, England. [Kwan, S.; Prosser, A.] Elect Syst Engn ESE Dept, Fermilab, Batavia, IL USA. [Xiang, A.; Ye, J.] So Methodist Univ, Dept Phys, Dallas, TX 75275 USA. RP Vasey, F (reprint author), CERN, Dept Phys, Geneva, Switzerland. EM francois.vasey@cern.ch FU European Commission; John Well Fund; Science and Technology Facilities Council (SFTC) FX ACEOLE, a Marie Curie Action at CERN funded by the European Commission under the 7th Framework Programme, the John Well Fund and the Science and Technology Facilities Council (SFTC) are also gratefully acknowleged for their support. NR 18 TC 24 Z9 24 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR C01075 DI 10.1088/1748-0221/7/01/C01075 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200075 ER PT J AU Volk, J Hansen, S Johnson, T Jostlein, H Kiper, T Shiltsev, V Chupyra, A Kondaurov, M Medvedko, A Parkhomchuk, V Singatulin, S Stetler, L Van Beek, J Fratta, D Roberts, J Wang, H AF Volk, J. Hansen, S. Johnson, T. Jostlein, H. Kiper, T. Shiltsev, V. Chupyra, A. Kondaurov, M. Medvedko, A. Parkhomchuk, V. Singatulin, S. Stetler, L. Van Beek, J. Fratta, D. Roberts, J. Wang, H. TI Hydrostatic level sensors as high precision ground motion instrumentation for Tevatron and other energy frontier accelerators SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - low energy (linear accelerators, cyclotrons, electrostatic accelerators); Accelerator Applications; Accelerator modelling and simulations (multi-particle dynamics; single-particle dynamics) AB Particle accelerators require very tight tolerances on the alignment and stability of their elements: magnets, accelerating cavities, vacuum chambers, etc. In this article we describe the Hydrostatic Level Sensors (HLS) for very low frequency measurements used in a variety of facilities at Fermilab. We present design features of the sensors, outline their technical parameters, describe their test and calibration procedures, discuss different regimes of operation and give few illustrative examples of the experimental data. Detail experimental results of the ground motion measurements with these detectors will be presented in subsequent papers. C1 [Volk, J.; Hansen, S.; Johnson, T.; Jostlein, H.; Kiper, T.; Shiltsev, V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Chupyra, A.; Kondaurov, M.; Medvedko, A.; Parkhomchuk, V.; Singatulin, S.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Stetler, L.] S Dakota Sch Mines & Technol, Rapid City, SD 57701 USA. [Fratta, D.; Roberts, J.; Wang, H.] Univ Wisconsin, Madison, WI 53706 USA. [Van Beek, J.] Sanford Underground Lab Honestake, Lead, SD USA. RP Volk, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM volk@fnal.gov RI Fratta, Dante/D-5479-2014; Parkhomchuk, Vasily/B-3835-2017 OI Parkhomchuk, Vasily/0000-0001-5833-0051 NR 12 TC 4 Z9 4 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR P01004 DI 10.1088/1748-0221/7/01/P01004 PG 26 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200118 ER PT J AU Wu, J Shi, Y Zhu, D AF Wu, J. Shi, Y. Zhu, D. TI A low-power Wave Union TDC implemented in FPGA SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Front-end electronics for detector readout; Digital electronic circuits AB A low-power time-to-digital convertor (TDC) for an application inside a vacuum has been implemented based on the Wave Union TDC scheme in a low-cost field-programmable gate array (FPGA) device. Bench top tests have shown that a time measurement resolution better than 30 ps (standard deviation of time differences between two channels) is achieved. Special firmware design practices are taken to reduce power consumption. The measurements indicate that with 32 channels fitting in the FPGA device, the power consumption on the FPGA core voltage is approximately 9.3 mW/channel and the total power consumption including both core and I/O banks is less than 27 mW/channel. C1 [Wu, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Shi, Y.; Zhu, D.] Illinois Math & Sci Acad, Aurora, IL 60505 USA. RP Wu, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM jywu168@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy; Illinois Mathematics and Science Academy FX This work was supported in part by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy and the Student Inquiry and Research Program of the Illinois Mathematics and Science Academy. NR 14 TC 4 Z9 4 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JAN PY 2012 VL 7 AR C01021 DI 10.1088/1748-0221/7/01/C01021 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 939JP UT WOS:000303806200021 ER PT J AU Ramanathan, M Kilbey, SM Ji, QM Hill, JP Ariga, K AF Ramanathan, Muruganathan Kilbey, S. Michael, II Ji, Qingmin Hill, Jonathan P. Ariga, Katsuhiko TI Materials self-assembly and fabrication in confined spaces SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID AIR-WATER-INTERFACE; BLOCK-COPOLYMER LITHOGRAPHY; SEQUENTIAL INFILTRATION SYNTHESIS; POLYELECTROLYTE MULTILAYER FILMS; CONSECUTIVELY ALTERNATING ADSORPTION; MESOPOROUS NANOCOMPARTMENT FILMS; HETEROJUNCTION SOLAR-CELLS; PORE-ENGINEERED NANOCARBON; BUCKLING-BASED METROLOGY; WALLED CARBON NANOTUBES AB Molecular assemblies have been mainly researched in open spaces for a long time. However, recent research has revealed that there are many interesting aspects present regarding self-assemblies in confined spaces. Molecular association within nanospaces such as mesoporous materials provides unusual phenomena based on highly restricted molecular motions. Current research endeavors in materials science and technology are focused on developing either a new class of materials or materials with novel/multiple functionalities which is often achieved via molecular assembly in confined spaces. Template synthesis and guided assemblies are distinguishable examples for molecular assembly in confined spaces. So far, different aspects of molecular confinements are discussed separately. In this review, the focus is specifically to bring some potential developments in various aspects of confined spaces for molecular self-assembly under one roof. We arrange the sections in this review based on the nature of the confinements, accordingly the topological/geometrical confinements, chemical and biological confinements, and confinements within thin films. Following these sections, molecular confinements for practical applications are shortly described in order to show connections of these scientific aspects with possible practical uses. One of the most important facts is that the self-assembly C1 [Ramanathan, Muruganathan; Kilbey, S. Michael, II] Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA. [Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Ji, Qingmin; Hill, Jonathan P.; Ariga, Katsuhiko] Natl Inst Mat Sci, Res Ctr Mat Nanoarchitecton MANA, Tsukuba, Ibaraki 3050044, Japan. [Hill, Jonathan P.; Ariga, Katsuhiko] CREST, Japan Sci & Technol Agcy JST, Tsukuba, Ibaraki 3050044, Japan. RP Ramanathan, M (reprint author), Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA. EM nmr@ornl.gov; ARIGA.Katsuhiko@nims.go.jp RI Ramanathan, Muruganathan/A-3641-2013; ARIGA, Katsuhiko/H-2695-2011; OI Ramanathan, Muruganathan/0000-0001-7008-1131; Hill, Jonathan/0000-0002-4229-5842 FU Center for Nanophase Materials Sciences; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; Japan Science and Technology Agency (JST), Japan FX Partial support from 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 is greatly acknowledged. This work was also partly supported by World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan and the Core Research for Evolutional Science and Technology (CREST) program of Japan Science and Technology Agency (JST), Japan. NR 354 TC 49 Z9 50 U1 9 U2 144 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 21 BP 10389 EP 10405 DI 10.1039/c2jm16629a PG 17 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 939MV UT WOS:000303816200001 ER PT J AU Jarvis, KA Deng, Z Allard, LF Manthiram, A Ferreira, PJ AF Jarvis, Karalee A. Deng, Zengqiang Allard, Lawrence F. Manthiram, Arumugam Ferreira, Paulo J. TI Understanding structural defects in lithium-rich layered oxide cathodes SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID ION BATTERIES; LOCAL-STRUCTURE; ELECTRON-MICROSCOPY; SOLID-SOLUTION; DISORDER; LI2MNO3; MN; NI; CO AB Planar defects in lithium-rich layered oxides were examined by aberration-corrected scanning transmission electron microscopy (STEM) to understand their formation. Planar defects were found to form during the transition of the transition metal layer from a disordered R (3) over barm state to a lithium-ordered C2/m state. This disorder-to-order transition resulted in three orientation variants, namely [100], [110], and [1 (1) over bar0]. The fundamental mechanism behind the observed defects is a shear of +/-b/3[010] on the (001) transition metal planes, which is equivalent to the point group operations lost during the disorder-to-order transition. These displacements also produced twins and single unit cells with P3(1)12 symmetry. Lithium-rich layered oxides with and without nickel show the presence of these three orientation variants. C1 [Jarvis, Karalee A.; Deng, Zengqiang; Manthiram, Arumugam; Ferreira, Paulo J.] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Allard, Lawrence F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Ferreira, PJ (reprint author), Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. EM ferreira@mail.utexaxs.edu FU EFRC:CST, an Energy Frontier Research Center; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001091]; U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX We gratefully acknowledge the useful discussions with Prof. Rabenberg at the University of Texas at Austin. This material is based upon work supported as part of the program "Understanding Charge Separation and Transfer at Interfaces in Energy Materials (EFRC:CST),'' 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-SC0001091. Microscopy research at the Oak Ridge National Laboratory's High Temperature Materials Laboratory was sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 22 TC 33 Z9 34 U1 3 U2 82 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 23 BP 11550 EP 11555 DI 10.1039/c2jm30575e PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 946KV UT WOS:000304351400021 ER PT J AU McDaniel, H Oh, N Shim, M AF McDaniel, Hunter Oh, Nuri Shim, Moonsub TI CdSe-CdSexTe1-x nanorod heterostructures: tuning alloy composition and spatially indirect recombination energies SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; OPTICAL-PROPERTIES; CDSE; CDTE; NANOBARBELLS; NANOWIRES; DYNAMICS; STRAIN AB In exploiting enhanced/new properties of the emerging class of heterostructured nanocrystals, challenges remain in the synthetic control over crystal size, composition and morphology. Parallel advances in characterization that provides atomic-level details of structure and composition along with their effects on materials' properties are necessary to be able to tailor nano-heterostructures for high-end applications. Here, we develop a synthetic strategy for forming type-II nanorod heterostructures with tunable band offsets by growing CdSexTe1-x alloys of variable composition on the tips of CdSe seeds. Composition in the nanorod heterostructures is quantified with atomic column resolution using aberration-corrected high-resolution STEM Z-contrast. The combination of Z-contrast analysis, high-resolution bright-field TEM imaging and photoluminescence studies reveals the energy of charge transfer transition across the heterointerface to be linearly dependent on both lattice constant and composition. The ability to vary the valence band offset, which is difficult to achieve by quantum size effect alone due to the effective mass of the hole often being large, is also demonstrated. C1 [McDaniel, Hunter; Oh, Nuri; Shim, Moonsub] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. RP McDaniel, H (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM hunter@lanl.gov; mshim@illinois.edu RI McDaniel, Hunter/E-9125-2012; Shim, Moonsub/A-7875-2009 OI Shim, Moonsub/0000-0001-7781-1029 FU NSF [09-05175, 11-53081]; University of Illinois FX The authors thank Prof. Jian-Min Zuo for helpful discussions. This material is based on work supported in part by the NSF (Grant no. 09-05175 and 11-53081) and the University of Illinois. Experiments were carried out in part in the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois. NR 39 TC 6 Z9 6 U1 0 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 23 BP 11621 EP 11628 DI 10.1039/c2jm31464a PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 946KV UT WOS:000304351400031 ER PT S AU Li, Q Hoogeboom-Pot, K Nardi, D Deeb, C King, S Tripp, M Anderson, E Murnane, MM Kapteyn, HC AF Li, Qing Hoogeboom-Pot, Kathleen Nardi, Damiano Deeb, Chris King, Sean Tripp, Marie Anderson, Erik Murnane, Margaret M. Kapteyn, Henry C. BE Starikov, A TI Characterization of ultrathin films by laser-induced sub-picosecond photoacoustics with coherent extreme ultraviolet detection SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXVI, PTS 1 AND 2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metrology, Inspection, and Process Control for Microlithography XXVI CY FEB 13-16, 2012 CL San Jose, CA SP SPIE, Nova Measuring Instruments Ltd DE metrology; photoacoustic; surface acoustic wave; longitudinal acoustic wave; thin film; extreme ultraviolet; high harmonic generation; Young's modulus; Poisson's ratio ID ACOUSTIC-WAVES AB Photoacoustic spectroscopy is a powerful tool for characterizing thin films. In this paper we demonstrate a new photoacoustic technique that allows us to precisely characterize the mechanical properties of ultrathin films. We focus an ultrafast laser onto a nano-patterned thin film sample, launching both surface acoustic waves (SAWs) and longitudinal acoustic waves (LAWs). Coherent extreme ultraviolet pulses are then used to probe the propagation dynamics of both the SAWs and LAWs. The resulting photoacoustic signal on both short (picosecond) and long (nanosecond) time scales yields important information. In the first 100ps, a fast oscillation followed by an echo signal corresponds to LAWs traveling inside the nanostructures and the thin film, from which the LAW velocities in the two materials can be extracted. On longer time-scales, SAW oscillations are observed. By combining the measured SAW frequency with the wavelength (determined by the nanostructure period) the SAW velocity can be accurately determined, even for very short wavelength surface acoustic waves with very small penetration depths. Using this technique, the elastic properties, including the Young's modulus and Poisson ratio for the thin film, can be obtained in a single measurement, this technique can be extended to sub-10nm thin films. C1 [Li, Qing; Hoogeboom-Pot, Kathleen; Nardi, Damiano; Murnane, Margaret M.; Kapteyn, Henry C.] Univ Colorado, Dept Phys, JILA, Boulder, CO 80309 USA. [Deeb, Chris; King, Sean; Tripp, Marie] Intel Corp, Hillsboro, OR 97124 USA. [Anderson, Erik] Lawrence Berkeley Natl Lab, Ctr X Ray Opt, Berkeley, CA 94720 USA. RP Li, Q (reprint author), Univ Colorado, Dept Phys, JILA, Boulder, CO 80309 USA. RI Kapteyn, Henry/H-6559-2011 OI Kapteyn, Henry/0000-0001-8386-6317 NR 14 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8980-7 J9 PROC SPIE PY 2012 VL 8324 AR UNSP 83241P DI 10.1117/12.916866 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BAI77 UT WOS:000304299900057 ER PT J AU Miller, JA Klippenstein, SJ AF Miller, James A. Klippenstein, Stephen J. TI Comment on "Automatic estimation of pressure-dependent rate coefficients'' (J. W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys., 2011, 14, 1131-1155) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Editorial Material ID PHENOMENOLOGICAL RATE COEFFICIENTS; MASTER EQUATION METHODS; BIMOLECULAR REACTIONS; MULTIPLE; RADICALS; KINETICS AB In this comment we discuss briefly the relationship between phenomenological rate constants and the solution to the time-dependent multiple-well master equation. Attention is focused on obtaining rate constants using the CSE (chemically significant eigenmode) method. In particular we describe briefly how to obtain rate constants when one or more of the chemically significant eigenvalues merges with the IEREs (internal energy relaxation eigenvalues). C1 [Miller, James A.; Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Miller, JA (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jamiller@anl.gov OI Klippenstein, Stephen/0000-0001-6297-9187 NR 11 TC 5 Z9 5 U1 0 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 23 BP 8431 EP 8433 DI 10.1039/c2cp40303j PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 946LR UT WOS:000304353600025 PM 22576047 ER PT J AU Zheng, HH Qu, QT Zhang, L Liu, G Battaglia, VS AF Zheng, Honghe Qu, Qunting Zhang, Li Liu, Gao Battaglia, Vincent S. TI Hard carbon: a promising lithium-ion battery anode for high temperature applications with ionic electrolyte SO RSC ADVANCES LA English DT Article ID NATURAL GRAPHITE ANODE; LIQUID ELECTROLYTE; RECHARGEABLE BATTERIES; ELECTROCHEMICAL INTERCALATION; PROPYLENE CARBONATE; THERMAL-STABILITY; COATED GRAPHITE; MOLTEN-SALT; INTERFACE; PERFORMANCE AB Electrochemical behavior of a hard carbon plate in an electrolyte based on a room temperature ionic liquid consisting of trimethyl-n-hexylammonium (TMHA) cation and bis(trifluoromethanesulfone) imide (TFSI) anion was investigated. Hard carbon is found to be less prone to passivation due to the high electrochemical stability of the ionic liquid. Lithiation and de-lithiation of the carbon anode is strongly affected by temperature. At room temperature, the hard carbon is difficult to lithiate and a high potential hysteresis is observed between charge and discharge curves. Increasing temperature contributes to higher reversible capacity, higher coulombic efficiency, and lower potential hysteresis. At 80 degrees C, a reversible capacity of 16.2 mAh cm(-2) (equivalent to 675.0 mAh g(-1)) was obtained with 73.6% of the first cycle coulombic efficiency. Considering that graphitic anodes do not work at this temperature due to the decomposition of the solid electrolyte interphase (SEI), the combination of hard carbon with ionic electrolyte can meet some special requirements for high temperature applications with improved safety. The activation energy for Li-ion transfer across the hard carbon/ionic electrolyte interface was measured by ac impedance spectroscopy; a value of 80 +/- 5 kJ mol(-1) was obtained. The large activation energy implies a high barrier of activation at the electrode/ electrolyte interface, which accounts for the poor rate performance of the hard carbon anode in the ionic electrolyte. C1 [Zheng, Honghe; Qu, Qunting; Zhang, Li] Suzhou Univ, Sch Energy, Suzhou 215006, Jiangsu, Peoples R China. [Zheng, Honghe; Liu, Gao; Battaglia, Vincent S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zheng, HH (reprint author), Suzhou Univ, Sch Energy, Suzhou 215006, Jiangsu, Peoples R China. EM hhzheng66@yahoo.com.cn RI Qu, Qunting/E-3932-2012 FU Natural Science Foundation of China (NSFC) [21073129]; Department of Science and technology of China [2009AA03Z225863] FX The authors are greatly indebted to the funding of Natural Science Foundation of China (NSFC, contract no. 21073129) and the Department of Science and technology of China for the 863 project (2009AA03Z225863). NR 40 TC 22 Z9 22 U1 5 U2 83 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2012 VL 2 IS 11 BP 4904 EP 4912 DI 10.1039/c2ra20536j PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 943TP UT WOS:000304148400050 ER PT J AU Li, HJ Foston, MB Kumar, R Samuel, R Gao, XD Hu, F Ragauskas, AJ Wyman, CE AF Li, Hongjia Foston, Marcus B. Kumar, Rajeev Samuel, Reichel Gao, Xiadi Hu, Fan Ragauskas, Arthur J. Wyman, Charles E. TI Chemical composition and characterization of cellulose for Agave as a fast-growing, drought-tolerant biofuels feedstock SO RSC ADVANCES LA English DT Article ID DILUTE-ACID PRETREATMENT; ENZYMATIC-HYDROLYSIS; BIOMASS; NMR; LECHUGUILLA; SWITCHGRASS; SUBSTRATE; POPULUS; FIBER; PRODUCTIVITY AB A major issue raised about development of cellulosic biomass derived fuels technologies is the concern about possible competition for land with agricultural crops and impacts on food and feed supply. However, because agave offers high productivity with low water and nutrient demands, it can thrive on semiarid lands not suitable for conventional agriculture, making it a promising lignocellulosic feedstock for biofuels production. Because agave composition will establish the maximum potential fuel yield that is vital to low cost conversion, detailed chemical composition data and cellulose characteristics were measured by standard biomass analysis procedures and solid-state NMR methods, respectively, for four agave samples: A. americana leaves, A. salmiana leaves, A. tequilana leaves, and A. americana heart. For the first time, we report substrate characteristics relevant to biochemical conversion for the tested agave species, specifically cell wall compositional data along with the relative proportions of cellulose ultra-structural components. The experimental results also provide an important baseline for further characterization and conversion of different agave species as biofuels feedstocks for semi-arid lands. C1 [Li, Hongjia; Gao, Xiadi; Wyman, Charles E.] Univ Calif Riverside, Dept Chem & Environm Engn, Bourns Coll Engn, Riverside, CA 92507 USA. [Li, Hongjia; Kumar, Rajeev; Gao, Xiadi; Wyman, Charles E.] Univ Calif Riverside, Ctr Environm Res & Technol, Riverside, CA 92507 USA. [Foston, Marcus B.; Samuel, Reichel; Hu, Fan; Ragauskas, Arthur J.] Georgia Inst Technol, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. [Li, Hongjia; Foston, Marcus B.; Kumar, Rajeev; Samuel, Reichel; Gao, Xiadi; Hu, Fan; Ragauskas, Arthur J.; Wyman, Charles E.] BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Li, HJ (reprint author), Univ Calif Riverside, Dept Chem & Environm Engn, Bourns Coll Engn, 1084 Columbia Ave, Riverside, CA 92507 USA. EM Charles.wyman@ucr.edu OI Kumar, Rajeev/0000-0001-7523-0108; Ragauskas, Arthur/0000-0002-3536-554X FU BioEnergy Science Center (BESC); U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science; Ford Motor Company FX This research was funded by the BioEnergy Science Center (BESC), a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. The authors would especially like to thank Mr. Arturo Velez and Mr. Ramon F. Olmedo from Agave Project of Mexico for providing agave materials. We would also like to thank Professor Eugene A. Nothnagel in the Botany and Plant Science Department and Dr Jaclyn D. DeMartini in the Chemical and Environmental Engineering Department of the University of California, Riverside for valuable discussions. Gratitude is extended to the Ford Motor Company for funding the Chair in Environmental Engineering at the Center for Environmental Research and Technology of the Bourns College of Engineering at UCR that augments support for many projects such as this. NR 56 TC 15 Z9 15 U1 1 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2012 VL 2 IS 11 BP 4951 EP 4958 DI 10.1039/c2ra20557b PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 943TP UT WOS:000304148400056 ER PT S AU Ming, DM Wall, ME AF Ming, Dengming Wall, Michael E. BE Fenton, AW TI Predicting Binding Sites by Analyzing Allosteric Effects SO ALLOSTERY: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Protein dynamics; Ligand binding; Allostery; Allosteric free energy; Allosteric regulation hypothesis; Functional site; Protein interaction; Dynamics perturbation analysis; Relative entropy; Kullback-Leibler divergence ID LIGAND-BINDING; PROTEIN STRUCTURES; FUNCTIONAL SITES; SINGLE-PARAMETER; CATALYTIC SITE; FREE-ENERGY; HOT-SPOTS; RESIDUES; DYNAMICS; IDENTIFICATION AB This chapter describes a method for analyzing the allosteric influence of molecular interactions on protein conformational distributions. The method, called Dynamics Perturbation Analysis (DPA), generally yields insights into allosteric effects in proteins and is especially useful for predicting ligand-binding sites. The use of DPA for binding site prediction is motivated by the following allosteric regulation hypothesis: interactions in native binding sites cause a large change in protein conformational distributions. Here, we review the reasoning behind this hypothesis, describe the math behind the method, and present a recipe for predicting binding sites using DPA. C1 [Ming, Dengming] Fudan Univ, Dept Physiol & Biophys, Sch Life Sci, Shanghai 200433, Peoples R China. [Wall, Michael E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. RP Ming, DM (reprint author), Fudan Univ, Dept Physiol & Biophys, Sch Life Sci, Shanghai 200433, Peoples R China. NR 65 TC 2 Z9 2 U1 1 U2 2 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-61779-333-2 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2012 VL 796 BP 423 EP 436 DI 10.1007/978-1-61779-334-9_23 D2 10.1007/978-1-61779-334-9 PG 14 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BAB17 UT WOS:000303686100023 PM 22052504 ER PT J AU Zhao, C Liu, X Leung, LR AF Zhao, C. Liu, X. Leung, L. R. TI Impact of the Desert dust on the summer monsoon system over Southwestern North America SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID AEROSOL OPTICAL-PROPERTIES; IMAGING SPECTRORADIOMETER; PRECIPITATION ESTIMATION; UNITED-STATES; SAHARAN DUST; MINERAL DUST; WEST-AFRICA; MODEL; AERONET; VARIABILITY AB The radiative forcing of dust emitted from the Southwest United States (US) deserts and its impact on monsoon circulation and precipitation over the North America monsoon (NAM) region are simulated using a coupled meteorology and aerosol/chemistry model (WRF-Chem) for 15 years (1995-2009). During the monsoon season, dust has a cooling effect (-0.90 W m(-2)) at the surface, a warming effect (0.40 W m(-2)) in the atmosphere, and a negative top-of-the-atmosphere (TOA) forcing (-0.50 W m(-2)) over the deserts on 24-h average. Most of the dust emitted from the deserts concentrates below 800 hPa and accumulates over the western slope of the Rocky Mountains and Mexican Plateau. The absorption of shortwave radiation by dust heats the lower atmosphere by up to 0.5 K day(-1) over the western slope of the Mountains. Model sensitivity simulations with and without dust for 15 summers (June-July-August) show that dust heating of the lower atmosphere over the deserts strengthens the low-level southerly moisture fluxes on both sides of the Sierra Madre Occidental. It also results in an eastward migration of NAM-driven moisture convergence over the western slope of the Mountains. These monsoonal circulation changes lead to a statistically significant increase of precipitation by up to similar to 40 % over the eastern slope of the Mountains (Arizona-New-Mexico-Texas regions). This study highlights the interaction between dust and the NAM system and motivates further investigation of possible dust feedback on monsoon precipitation under climate change and the mega-drought conditions projected for the future. C1 [Zhao, C.; Liu, X.; Leung, L. R.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM chun.zhao@pnnl.gov RI Zhao, Chun/A-2581-2012; Liu, Xiaohong/E-9304-2011 OI Zhao, Chun/0000-0003-4693-7213; Liu, Xiaohong/0000-0002-3994-5955 FU Department of Energy Earth System Modeling Program Investigations on the Magnitude and Probabilities of Abrupt Climate TransitionS (IMPACTS); Office of Science of the US Department of Energy [DE-AC02-05CH11231]; US DOE [DE-AC06-76RLO330 1830] FX This study is supported by the Department of Energy Earth System Modeling Program Investigations on the Magnitude and Probabilities of Abrupt Climate TransitionS (IMPACTS) project. This research used computing resources from the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. Pacific Northwest National Laboratory is operated for the US DOE by Battelle Memorial Institute under contract DE-AC06-76RLO330 1830. We thank Nicole Riemer for the editorial help. Insightful comments offered by Stephen Nesbitt and the other anonymous referee are highly appreciated. NR 53 TC 31 Z9 32 U1 1 U2 22 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2012 VL 12 IS 8 BP 3717 EP 3731 DI 10.5194/acp-12-3717-2012 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 942ON UT WOS:000304054800011 ER PT J AU Lindenmaier, R Strong, K Batchelor, RL Chipperfield, MP Daffer, WH Drummond, JR Duck, TJ Fast, H Feng, W Fogal, PF Kolonjari, F Manney, GL Manson, A Meek, C Mittermeier, RL Nott, GJ Perro, C Walker, KA AF Lindenmaier, R. Strong, K. Batchelor, R. L. Chipperfield, M. P. Daffer, W. H. Drummond, J. R. Duck, T. J. Fast, H. Feng, W. Fogal, P. F. Kolonjari, F. Manney, G. L. Manson, A. Meek, C. Mittermeier, R. L. Nott, G. J. Perro, C. Walker, K. A. TI Unusually low ozone, HCl, and HNO3 column measurements at Eureka, Canada during winter/spring 2011 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID POLAR STRATOSPHERIC CLOUDS; FOURIER-TRANSFORM SPECTROMETERS; ACE-FTS; NORTHERN-HEMISPHERE; LIDAR OBSERVATIONS; UPPER TROPOSPHERE; VOLCANIC AEROSOL; LOWER MESOSPHERE; WINTER 2002/2003; ANTARCTIC OZONE AB As a consequence of dynamically variable meteorological conditions, springtime Arctic ozone levels exhibit significant interannual variability in the lower stratosphere. In winter 2011, the polar vortex was strong and cold for an unusually long time. Our research site, located at Eureka, Nunavut, Canada (80.05A degrees N, 86.42A degrees W), was mostly inside the vortex from October 2010 until late March 2011. The Bruker 125HR Fourier transform infrared spectrometer installed at the Polar Environment Atmospheric Research Laboratory at Eureka acquired measurements from 23 February to 6 April during the 2011 Canadian Arctic Atmospheric Chemistry Experiment Validation Campaign. These measurements showed unusually low ozone, HCl, and HNO3 total columns compared to the previous 14 yr. To remove dynamical effects, we normalized these total columns by the HF total column. The normalized values of the ozone, HCl, and HNO3 total columns were smaller than those from previous years, and confirmed the occurrence of chlorine activation and chemical ozone depletion. To quantify the chemical ozone loss, a three-dimensional chemical transport model, SLIMCAT, and the passive subtraction method were used. The chemical ozone depletion was calculated as the mean percentage difference between the measured ozone and the SLIMCAT passive ozone, and was found to be 35%. C1 [Batchelor, R. L.] Natl Ctr Atmospher Res, Atmospher Chem Div, Boulder, CO 80310 USA. [Chipperfield, M. P.; Feng, W.] Univ Leeds, Inst Climate & Atmospher Sci, Sch Earth & Environm, Leeds LS2 9JT, W Yorkshire, England. [Daffer, W. H.; Manney, G. L.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Drummond, J. R.; Duck, T. J.; Nott, G. J.; Perro, C.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 1Z9, Canada. [Fast, H.; Fogal, P. F.; Mittermeier, R. L.] Environm Canada, Air Qual Res Div, Toronto, ON M3H 5T4, Canada. [Feng, W.] Univ Leeds, Natl Ctr Atmospher Sci, Sch Earth & Environm, Leeds LS2 9JT, W Yorkshire, England. [Manney, G. L.] New Mexico Inst Min & Technol, Dept Phys, Socorro, NM 87801 USA. [Manson, A.; Meek, C.] Univ Saskatchewan, Inst Space & Atmospher Studies, Saskatoon, SK S7N 5E2, Canada. [Lindenmaier, R.; Strong, K.; Fogal, P. F.; Kolonjari, F.; Walker, K. A.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. RP Lindenmaier, R (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM rodica@atmosp.physics.utoronto.ca RI Chipperfield, Martyn/H-6359-2013; FENG, WUHU/B-8327-2008; Drummond, James/O-7467-2014 OI Chipperfield, Martyn/0000-0002-6803-4149; FENG, WUHU/0000-0002-9907-9120; FU Atlantic Innovation Fund/Nova Scotia Research Innovation Trust; Canadian Foundation for Climate and Atmospheric Sciences; Canada Foundation for Innovation; Canadian Space Agency (CSA); Environment Canada (EC); Government of Canada; Natural Sciences and Engineering Research Council (NSERC); Ontario Innovation Trust; Polar Continental Shelf Program; Ontario Research Fund; Northern Scientific Training Program FX The authors wish to thank the staff at the Eureka weather station and CANDAC for the logistical and on-site support provided at Eureka. Thanks to CANDAC/PEARL operators Ashley Harrett, Alexei Khmel, Paul Loewen, Keith MacQuarrie, Oleg Mikhailov, and Matt Okraszewski, for their invaluable assistance in maintaining the Bruker 125HR and for taking measurements. CANDAC and PEARL are funded by the Atlantic Innovation Fund/Nova Scotia Research Innovation Trust, Canadian Foundation for Climate and Atmospheric Sciences, Canada Foundation for Innovation, Canadian Space Agency (CSA), Environment Canada (EC), Government of Canada International Polar Year funding, Natural Sciences and Engineering Research Council (NSERC), Ontario Innovation Trust, Polar Continental Shelf Program and the Ontario Research Fund. The springtime Canadian Arctic ACE Validation Campaigns are supported by the CSA, EC, NSERC, and the Northern Scientific Training Program. Thanks to EC for launching the radiosondes and making the data available. NR 92 TC 13 Z9 13 U1 0 U2 10 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2012 VL 12 IS 8 BP 3821 EP 3835 DI 10.5194/acp-12-3821-2012 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 942ON UT WOS:000304054800019 ER PT J AU Flowers, BA Powers, HH Dubey, MK McDowell, NG AF Flowers, B. A. Powers, H. H. Dubey, M. K. McDowell, N. G. TI Inter-comparison of two high-accuracy fast-response spectroscopic sensors of carbon dioxide: a case study SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID TUNABLE DIODE-LASER; ABSORPTION-SPECTROSCOPY; GASES; CO2 AB Tunable diode laser absorption (TDL) and cavity ring-down spectroscopic (CRDS) sensors for atmospheric carbon dioxide were co-deployed during summer and fall of 2010 in field and laboratory conditions at Los Alamos National Laboratory. Both sensors were characterized for accuracy and precision for ambient carbon dioxide measurements at ground level and compared using both laboratory and ambient field data. After post-processing that included water vapor correction and calibration to WMO reference standards, overall mean [(CO2)-C-12-O-16] = 392.05 +/- 8.92 ppm and [(CO2)-C-12-O-16] = 392.22 +/- 9.05 ppm were observed between 29 July and 16 August 2010. The mean difference between the CRDS and TDL data for (CO2)-C-12 was 0.04 +/- 1.80 ppm (+/- 1 sigma in 60 s) for ambient field data, demonstrating the sensors meet the WMO/IAEA compatibility standard. The observations show over the 19-day period the [CO2](CRDS)'/[CO2](TDL) ratio exhibits a Gaussian distribution centered at x(0) = 1.003 +/- 3.38 x 10(-5) (+/- 1 sigma), indicating the ratio is dominated by random noise as opposed to a bias in the output of either sensor. The CRDS sensor is capable of measuring [(CO2)-C-12-O-16] to a precision of 23 ppb in 1 min and decreases to 6.5 ppb in 58 min. At one and 58-min, the TDL exhibits precisions of 29 ppb and 53 ppb. The CRDS is compact, fast, and stable; the TDL is larger and requires frequent calibrations to maintain its precision. The sensors also exhibit consistent hourly averaged diurnal values underscoring the interplay of biological, anthropogenic, and transport processes regulating CO2 at the site. C1 [Flowers, B. A.; Powers, H. H.; Dubey, M. K.; McDowell, N. G.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Dubey, MK (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM dubey@lanl.gov RI Dubey, Manvendra/E-3949-2010 OI Dubey, Manvendra/0000-0002-3492-790X FU US Department of Energy ASR; LANL FX B. A. F. and M. K. D. acknowledge the US Department of Energy ASR program and LANL's Laboratory Directed Research and Development program (LDRD). H. P. and N. M. acknowledge Clif Meyer, LANL's LDRD program and the Institute for Geophysical and Planetary Physics (IGPP) Programs. NR 14 TC 6 Z9 6 U1 0 U2 16 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 EI 1867-8548 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2012 VL 5 IS 5 BP 991 EP 997 DI 10.5194/amt-5-991-2012 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 942PG UT WOS:000304057300006 ER PT J AU Kovtun, O Ross, EJ Tomlinson, ID Rosenthal, SJ AF Kovtun, Oleg Ross, Emily J. Tomlinson, Ian D. Rosenthal, Sandra J. TI A flow cytometry-based dopamine transporter binding assay using antagonist-conjugated quantum dots SO CHEMICAL COMMUNICATIONS LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; LIGAND; INHIBITORS; RADIOLIGAND; DERIVATIVES; ASTROCYTES; RECEPTORS; SEROTONIN; DISEASE; COCAINE AB Here we present the development and validation of a flow cytometry-based dopamine transporter (DAT) binding assay that uses antagonist-conjugated quantum dots (QDs). We anticipate that our QD-based assay is of immediate value to the high throughput screening of novel DAT modulators. C1 [Kovtun, Oleg; Ross, Emily J.; Tomlinson, Ian D.; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Inst Nanoscale Sci & Engn, Dept Pharmacol, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Inst Nanoscale Sci & Engn, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Inst Nanoscale Sci & Engn, Dept Phys & Astron, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Rosenthal, SJ (reprint author), Vanderbilt Univ, Dept Chem, 7300 Stevenson Ctr Ln, Nashville, TN 37235 USA. EM sandra.j.rosenthal@vanderbilt.edu FU Wellcome Trust [090532] NR 37 TC 2 Z9 2 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 44 BP 5428 EP 5430 DI 10.1039/c2cc31951a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 938ZY UT WOS:000303774000008 PM 22543630 ER PT J AU Kozub, DR Vakhshouri, K Kesava, SV Wang, C Hexemer, A Gomez, ED AF Kozub, Derek R. Vakhshouri, Kiarash Kesava, Sameer Vajjala Wang, Cheng Hexemer, Alexander Gomez, Enrique D. TI Direct measurements of exciton diffusion length limitations on organic solar cell performance SO CHEMICAL COMMUNICATIONS LA English DT Article ID BIMOLECULAR CRYSTALS; THIN-FILMS; BLENDS; POLY(3-HEXYLTHIOPHENE); MORPHOLOGY; POLYMERS; BEHAVIOR AB Through a combination of X-ray scattering and energy-filtered electron microscopy, we have quantitatively examined the relationship between the mesostructure of the photoactive layer and device performance in PBTTT/PC71BM solar cells. We can predict device performance from X-ray structural data through a simple morphological model which includes the exciton diffusion length. C1 [Kozub, Derek R.; Vakhshouri, Kiarash; Kesava, Sameer Vajjala; Gomez, Enrique D.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [Wang, Cheng; Hexemer, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Gomez, Enrique D.] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. RP Gomez, ED (reprint author), Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. EM edg12@psu.edu RI Wang, Cheng /E-7399-2012; Gomez, Enrique/E-5887-2013; Wang, Cheng/A-9815-2014 FU NSF [DMR-1056199]; National Center for Electron Microscopy; Lawrence Berkeley National Laboratory; U.S. Department of Energy [DE-AC02-05CH11231]; Advanced Light Source; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Funding for this work was provided by NSF under Award DMR-1056199. The authors acknowledge support of the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 20 TC 17 Z9 17 U1 2 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 47 BP 5859 EP 5861 DI 10.1039/c2cc31925j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 943PF UT WOS:000304135900015 PM 22572808 ER PT J AU Zhao, XY Haworth, DC Huckaby, ED AF Zhao, Xinyu Haworth, D. C. Huckaby, E. David TI TRANSPORTED PDF MODELING OF NONPREMIXED TURBULENT CO/H-2/N-2 JET FLAMES SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Nonpremixed turbulent flames; Probability density function method; Syngas flames ID CARBON MONOXIDE/HYDROGEN MIXTURES; REACTIVE FLOWS; SYNGAS COMBUSTION; DIFFUSION FLAME; SIMULATION; EQUATIONS; OXIDATION; IGNITION; CO AB Turbulent CO/H-2/N-2 ("syngas") flames are simulated using a transported composition probability density function (PDF) method. A consistent hybrid Lagrangian particle/Eulerian mesh algorithm is used to solve the modeled PDF transport equation. The model includes standard k-epsilon turbulence, gradient transport for scalars, and Euclidean minimum spanning tree (EMST) mixing. Sensitivities of model results to variations in the turbulence model, the treatment of radiation heat transfer, the choice of chemical mechanism, and the PDF mixing model are explored. A baseline model reproduces the measured mean and rms temperature, major species, and minor species profiles reasonably well, and captures the scaling that is observed in the experiments. Both our results and the literature suggest that further improvements can be realized with adjustments in the turbulence model, the radiation heat transfer model, and the chemical mechanism. Although radiation effects are relatively small in these flames, consideration of radiation is important for accurate NO prediction. Chemical mechanisms that have been developed specifically for fuels with high concentrations of CO and H-2 perform better than a methane mechanism that was not designed for this purpose. It is important to account explicitly for turbulence-chemistry interactions, although the details of the mixing model do not make a large difference in the results, within reasonable limits. Supplemental materials are available for this article. Go to the publisher's online edition of Combustion Science and Technology to view the free supplemental file. C1 [Zhao, Xinyu; Haworth, D. C.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Zhao, Xinyu; Haworth, D. C.] NETL RUA, Morgantown, WV USA. [Huckaby, E. David] US DOE, Natl Energy Technol Lab, Morgantown, WV USA. RP Zhao, XY (reprint author), Penn State Univ, Dept Mech & Nucl Engn, Res Bldg E, University Pk, PA 16802 USA. EM xzz105@psu.edu RI Zhao, Xinyu/I-8148-2016 OI Zhao, Xinyu/0000-0001-7068-5015 FU National Energy Technology Laboratory's Regional University Alliance (NETL-RUA) [DE-FE0004000]; National Science Foundation [OCI-0821527] FX As part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract DE-FE0004000. This work was supported in part through instrumentation funded by the National Science Foundation through grant OCI-0821527. The authors also thank Professor F.L. Dryer of Princeton for providing the C1 chemical mechanism and for helpful discussions. NR 39 TC 2 Z9 3 U1 0 U2 14 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2012 VL 184 IS 5 BP 676 EP 693 DI 10.1080/00102202.2012.660223 PG 18 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 942JG UT WOS:000304039600006 ER PT S AU Aswani, A Biggin, MD Bickel, P Tomlin, C AF Aswani, Anil Biggin, Mark D. Bickel, Peter Tomlin, Claire BE Asthagiri, AR Arkin, AP TI Nonparametric Variable Selection and Modeling for Spatial and Temporal Regulatory Networks SO COMPUTATIONAL METHODS IN CELL BIOLOGY SE Methods in Cell Biology LA English DT Review; Book Chapter ID DROSOPHILA BLASTODERM; TRANSCRIPTION FACTORS; GENE-COEXPRESSION; BAYESIAN NETWORKS; CROSS-VALIDATION; EXPRESSION; REGRESSION; BINDING; REPRESSION; THOUSANDS AB Because of the increasing diversity of data sets and measurement techniques in biology, a growing spectrum of modeling methods is being developed. It is generally recognized that it is critical to pick the appropriate method to exploit the amount and type of biological data available for a given system. Here, we describe a method for use in situations where temporal data from a network is collected over multiple time points, and in which little prior information is available about the interactions, mathematical structure, and statistical distribution of the network. Our method results in models that we term Nonparametric exterior derivative estimation Ordinary Differential Equation (NODE) model's. We illustrate the method's utility using spatiotemporal gene expression data from Drosophila melanogaster embryos. We demonstrate that the NODE model's use of the temporal characteristics of the network leads to quantifiable improvements in its predictive ability over nontemporal models that only rely on the spatial characteristics of the data. The NODE model provides exploratory visualizations of network behavior and structure, which can identify features that suggest additional experiments. A new extension is also presented that uses the NODE model to generate a comb diagram, a figure that presents a list of possible network structures ranked by plausibility. By being able to quantify a continuum of interaction likelihoods, this helps to direct future experiments. C1 [Aswani, Anil; Tomlin, Claire] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Biggin, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Bickel, Peter] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. RP Aswani, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 FU NIGMS NIH HHS [GM704403] NR 37 TC 0 Z9 0 U1 0 U2 5 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0091-679X BN 978-0-12-388403-9 J9 METHOD CELL BIOL JI Methods Cell Biol. PY 2012 VL 110 BP 243 EP 261 DI 10.1016/B978-0-12-388403-9.00010-2 PG 19 WC Cell Biology SC Cell Biology GA BAE04 UT WOS:000303897100010 PM 22482952 ER PT S AU Kaplan, T Biggin, MD AF Kaplan, Tommy Biggin, Mark D. BE Asthagiri, AR Arkin, AP TI Quantitative Models of the Mechanisms that Control Genome-Wide Patterns of Animal Transcription Factor Binding SO COMPUTATIONAL METHODS IN CELL BIOLOGY SE Methods in Cell Biology LA English DT Review; Book Chapter ID DROSOPHILA-EMBRYO; IN-VIVO; ORDERED RECRUITMENT; REGULATORY MODULES; BIOPHYSICAL MODEL; GENE-EXPRESSION; SEGMENTATION; DNA; PREDICTION; PROMOTER AB Animal transcription factors drive complex spatial and temporal patterns of gene expression during development by binding to a wide array of genomic regions. While the in vivo DNA binding landscape and in vitro DNA binding affinities of many such proteins have been characterized, our understanding of the forces that determine where, when, and the extent to which these transcription factors bind DNA in cells remains primitive. In this chapter, we describe computational thermodynamic models that predict the genome-wide DNA binding landscape of transcription factors in vivo and evaluate the contribution of biophysical determinants, such as protein-protein interactions and chromatin accessibility, on DNA occupancy. We show that predictions based only on DNA sequence and in vitro DNA affinity data achieve a mild correlation (r = 0.4) with experimental measurements of in vivo DNA binding. However, by incorporating direct measurements of DNA accessibility in chromatin, it is possible to obtain much higher accuracy (r = 0.6-0.9) for various transcription factors across known target genes. Thus, a combination of experimental DNA accessibility data and computational modeling of transcription factor DNA binding may be sufficient to predict the binding landscape of any animal transcription factor with reasonable accuracy. C1 [Kaplan, Tommy] Univ Calif Berkeley, Dept Mol & Cell Biol, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Kaplan, Tommy] Hebrew Univ Jerusalem, Sch Comp Sci & Engn, Jerusalem, Israel. [Biggin, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. RP Kaplan, T (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Calif Inst Quantitat Biosci, 229 Stanley Hall, Berkeley, CA 94720 USA. RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 NR 59 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0091-679X BN 978-0-12-388403-9 J9 METHOD CELL BIOL JI Methods Cell Biol. PY 2012 VL 110 BP 263 EP 283 DI 10.1016/B978-0-12-388403-9.00011-4 PG 21 WC Cell Biology SC Cell Biology GA BAE04 UT WOS:000303897100011 PM 22482953 ER PT S AU Pozzi, G Fish, RH AF Pozzi, Gianluca Fish, Richard H. BE Horvath, IT TI Fluoroponytailed Crown Ethers and Quaternary Ammonium Salts as Solid-Liquid Phase Transfer Catalysts in Organic Synthesis SO FLUOROUS CHEMISTRY SE Topics in Current Chemistry LA English DT Review; Book Chapter DE Ammonium salts; Crown ethers; Fluorous catalysis; N-Alkylation; Nucleophilic substitution ID HALIDE-SUBSTITUTION-REACTIONS; NONPOLAR FLUOROUS MEDIA; ALPHA-AMINO-ACIDS; PTC CONDITIONS; STRAIGHTFORWARD SYNTHESIS; IONIC TRANSFORMATIONS; METAL-COMPLEXES; EFFICIENT; SOLVENTS; DIBENZO-18-CROWN-6 AB Fluorous derivatives of dibenzo-18-crown-6 ether were prepared, and then successfully applied in representative solid liquid phase transfer catalysis reactions, which were performed in standard organic solvents, such as chlorobenzene and toluene, as well as in fluorous solvents, such as perfluoro-1,3-dimethylcyclohexane. It was clearly shown that properly designed fluoroponytailed crown ethers could promote the disintegration of the crystal lattice of alkali salts, and transfer anions from the solid surface into an apolar, non-coordinating perfluorocarbon phase, for phase transfer catalysis reactions in organic synthesis. Furthermore, 3,5-bis(perfluorooctyl)benzyl bromide and triethylamine were reacted under mild conditions to provide an analogue of the versatile phase transfer catalyst, benzyltriethylammonium chloride, containing two fluoroponytails. This fluoroponytailed quaternary ammonium salt was also successfully employed as a catalyst in a variety of organic reactions conducted under solid-liquid phase transfer catalysis conditions, without a perfluorocarbon phase. Thus, being both hydrophobic and lipophobic, fluorous crown ethers and ammonium salts, could be rapidly recovered in quantitative yields, and reused without loss of activity, over several reaction cycles. C1 [Fish, Richard H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Pozzi, Gianluca] CNR, Ist Sci & Tecnol Mol, I-20133 Milan, Italy. RP Fish, RH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM gianluca.pozzi@istm.cnr.it; rhfish@lbl.gov RI Pozzi, Gianluca/G-1499-2011 OI Pozzi, Gianluca/0000-0002-1469-9284 NR 48 TC 1 Z9 3 U1 2 U2 39 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0340-1022 BN 978-3-642-25233-4 J9 TOP CURR CHEM JI Top. Curr. Chem. PY 2012 VL 308 BP 213 EP 232 DI 10.1007/128_2011_240 D2 10.1007/978-3-642-25234-1 PG 20 WC Chemistry, Organic SC Chemistry GA BZA34 UT WOS:000300911800011 PM 21928010 ER PT J AU Welling, DT Koller, J Camporeale, E AF Welling, D. T. Koller, J. Camporeale, E. TI Verification of SpacePy's radial diffusion radiation belt model SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID MAGNETIC STORM; WEATHER; MAGNETOSPHERE; ELECTRONS; TRANSPORT; LOSSES; CODE AB Model verification, or the process of ensuring that the prescribed equations are properly solved, is a necessary step in code development. Careful, quantitative verification guides users when selecting grid resolution and time step and gives confidence to code developers that existing code is properly instituted. This work introduces the RadBelt radiation belt model, a new, open-source version of the Dynamic Radiation Environment Assimilation Model (DREAM) and uses the Method of Manufactured Solutions (MMS) to quantitatively verify it. Order of convergence is investigated for a plethora of code configurations and source terms. The ability to apply many different diffusion coefficients, including time constant and time varying, is thoroughly investigated. The model passes all of the tests, demonstrating correct implementation of the numerical solver. The importance of D-LL and source term dynamics on the selection of time step and grid size is also explored. Finally, an alternative method to apply the source term is examined to illustrate additional considerations required when non-linear source terms are used. C1 [Welling, D. T.; Koller, J.; Camporeale, E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Welling, DT (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, 2455 Hayward St, Ann Arbor, MI 48109 USA. EM dwelling@umich.edu RI Welling, Daniel/C-1970-2013; Koller, Josef/C-5591-2009 OI Koller, Josef/0000-0002-6770-4980 FU US Department of Energy; DREAM FX The authors would like to thank Burton Wendroff and Charles Kiyanda for their helpful discussions concerning numerical methods. Work at Los Alamos was conducted under the auspices of the US Department of Energy. This research was conducted as part of the Dynamic Radiation Environment Assimilation Model (DREAM) project at Los Alamos National Laboratory. We are grateful to the sponsors of DREAM for financial and technical support. NR 41 TC 4 Z9 4 U1 0 U2 4 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2012 VL 5 IS 2 BP 277 EP 287 DI 10.5194/gmd-5-277-2012 PG 11 WC Geosciences, Multidisciplinary SC Geology GA 942QD UT WOS:000304060600001 ER PT J AU Lamarque, JF Emmons, LK Hess, PG Kinnison, DE Tilmes, S Vitt, F Heald, CL Holland, EA Lauritzen, PH Neu, J Orlando, JJ Rasch, PJ Tyndall, GK AF Lamarque, J. -F. Emmons, L. K. Hess, P. G. Kinnison, D. E. Tilmes, S. Vitt, F. Heald, C. L. Holland, E. A. Lauritzen, P. H. Neu, J. Orlando, J. J. Rasch, P. J. Tyndall, G. K. TI CAM-chem: description and evaluation of interactive atmospheric chemistry in the Community Earth System Model SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID ORGANIC-COMPOUND EMISSIONS; GENERAL-CIRCULATION MODEL; BIOMASS BURNING EMISSIONS; CARBON-DIOXIDE CLIMATES; GASEOUS DRY DEPOSITION; GLOBAL-MODEL; 3-DIMENSIONAL MODEL; SURFACE RESISTANCES; TRANSPORT MODELS; OZONE POLLUTION AB We discuss and evaluate the representation of atmospheric chemistry in the global Community Atmosphere Model (CAM) version 4, the atmospheric component of the Community Earth System Model (CESM). We present a variety of configurations for the representation of tropospheric and stratospheric chemistry, wet removal, and online and offline meteorology. Results from simulations illustrating these configurations are compared with surface, aircraft and satellite observations. Major biases include a negative bias in the high-latitude CO distribution, a positive bias in upper-tropospheric/lower-stratospheric ozone, and a positive bias in summertime surface ozone (over the United States and Europe). The tropospheric net chemical ozone production varies significantly between configurations, partly related to variations in stratosphere-troposphere exchange. Aerosol optical depth tends to be underestimated over most regions, while comparison with aerosol surface measurements over the United States indicate reasonable results for sulfate , especially in the online simulation. Other aerosol species exhibit significant biases. Overall, the model-data comparison indicates that the offline simulation driven by GEOS5 meteorological analyses provides the best simulation, possibly due in part to the increased vertical resolution (52 levels instead of 26 for online dynamics). The CAM-chem code as described in this paper, along with all the necessary datasets needed to perform the simulations described here, are available for download at < a href='http://www.cesm.ucar.edu'> www.cesm.ucar.edu . C1 [Lamarque, J. -F.; Emmons, L. K.; Kinnison, D. E.; Tilmes, S.; Vitt, F.; Holland, E. A.; Lauritzen, P. H.; Orlando, J. J.; Tyndall, G. K.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Hess, P. G.] Cornell Univ, Ithaca, NY USA. [Heald, C. L.] Colorado State Univ, Ft Collins, CO 80523 USA. [Neu, J.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Rasch, P. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lamarque, JF (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM lamar@ucar.edu RI Heald, Colette/A-6813-2011; Pfister, Gabriele/A-9349-2008; Lamarque, Jean-Francois/L-2313-2014; Hess, Peter/M-3145-2015 OI Lamarque, Jean-Francois/0000-0002-4225-5074; Hess, Peter/0000-0003-2439-3796 FU NSF [0840825, 0929282]; EPA [834283]; Department of Energy under SciDAC; Office of Science (BER) of the US Department of Energy FX We would like to acknowledge the help of M. Schultz and M. Val Martin with surface ozone measurements. P. G. H. was partially funded under the NSF award 0840825 and EPA Grant #: 834283. C. L. H. was partially supported by NSF award 0929282. D. K., J.-F. L. and F. V. were partially funded by the Department of Energy under the SciDAC program. We also acknowledge the science teams producing the data used for model evaluation, including the NOAA Earth System Research Laboratory Global Monitoring Division for surface CO and ozone sondes, and the World Ozone and Ultraviolet Radiation Data Centre (WOUDC) for ozonesondes. The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. The National Center for Atmospheric Research is operated by the University Corporation for Atmospheric Research under sponsorship of the National Science Foundation. NR 99 TC 190 Z9 195 U1 14 U2 91 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2012 VL 5 IS 2 BP 369 EP 411 DI 10.5194/gmd-5-369-2012 PG 43 WC Geosciences, Multidisciplinary SC Geology GA 942QD UT WOS:000304060600008 ER PT J AU Basilio, LI Warne, LK Langston, WL Johnson, WA Sinclair, MB AF Basilio, L. I. Warne, L. K. Langston, W. L. Johnson, W. A. Sinclair, M. B. TI Microwave-Frequency, Negative-Index Metamaterial Designs Based on Degenerate Dielectric Resonators SO IEEE ANTENNAS AND WIRELESS PROPAGATION LETTERS LA English DT Article DE Dielectric metamaterials; metamaterial simulations; metamaterials; negative index ID PARTICLES AB In this letter, three different negative-index metamaterial designs based on single-particle degenerate dielectric resonators are presented. The resonator designs are realized by introducing high-contrast perturbations to the cavity geometry so as to bring the lowest-order electric and magnetic cavity resonances into frequency alignment. Since negative-index behavior can be demonstrated with only a single-type resonator (as opposed to dual-particle), these types of degenerate dielectric resonators potentially offer a size advantage so that the structure is less apt to fall out-side the effective-medium region. C1 [Basilio, L. I.; Warne, L. K.; Langston, W. L.; Johnson, W. A.; Sinclair, M. B.] Sandia Natl Labs, Electromagnet Theory Dept, Albuquerque, NM 87185 USA. RP Basilio, LI (reprint author), Sandia Natl Labs, Electromagnet Theory Dept, POB 5800, Albuquerque, NM 87185 USA. EM libasil@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 9 TC 3 Z9 3 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1225 J9 IEEE ANTENN WIREL PR JI IEEE Antennas Wirel. Propag. Lett. PY 2012 VL 11 BP 113 EP 116 DI 10.1109/LAWP.2012.2184252 PG 4 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 944KX UT WOS:000304201500030 ER PT S AU Wang, GF Fang, N AF Wang, Gufeng Fang, Ning BE Conn, PM TI DETECTING AND TRACKING NONFLUORESCENT NANOPARTICLE PROBES IN LIVE CELLS SO IMAGING AND SPECTROSCOPIC ANALYSIS OF LIVING CELLS: OPTICAL AND SPECTROSCOPIC TECHNIQUES SE Methods in Enzymology LA English DT Review; Book Chapter ID INTERFERENCE CONTRAST MICROSCOPY; SINGLE-PARTICLE TRACKING; DARK-FIELD MICROSCOPY; NANOMETER SPATIAL PRECISION; TRANSIENT CONFINEMENT ZONES; TUG-OF-WAR; GOLD NANORODS; LIVING CELLS; MOLECULAR MOTORS; SCATTERING MICROSCOPY AB Precisely imaging and tracking dynamic biological processes in live cells are crucial for both fundamental research in life sciences and biomedical applications. Nonfluorescent nanoparticles are emerging as important optical probes in live-cell imaging because of their excellent photostability, large optical cross sections, and low cytotoxicity. Here, we provide a review of recent development in optical imaging of nonfluorescent nanoparticle probes and their applications in dynamic tracking and biosensing in live cells. A brief discussion on cytotoxicity of nanoparticle probes is also provided. C1 [Wang, Gufeng] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. [Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. [Fang, Ning] Iowa State Univ, Dept Chem, Ames, IA USA. RP Wang, GF (reprint author), N Carolina State Univ, Dept Chem, Box 8204, Raleigh, NC 27695 USA. RI Wang, Gufeng/B-3972-2011; Fang, Ning/A-8456-2011 NR 121 TC 3 Z9 3 U1 2 U2 24 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-391857-4 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2012 VL 504 BP 83 EP 108 DI 10.1016/B978-0-12-391857-4.00004-5 PG 26 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BAD98 UT WOS:000303896400004 PM 22264530 ER PT J AU Peng, JH Bi, XTT Lim, J Sokhansanj, S AF Peng, Jianghong Bi, Xiaotao T. Lim, Jim Sokhansanj, Shabab TI Development of Torrefaction Kinetics for British Columbia Softwoods SO INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING LA English DT Article DE torrefaction; TG tests; kinetics; model; BC softwood ID DIFFERENTIAL THERMAL ANALYSIS; LOW-TEMPERATURE PYROLYSIS; WEIGHT-LOSS KINETICS; THERMOGRAVIMETRIC ANALYSIS; LIGNOCELLULOSIC MATERIALS; WOOD PYROLYSIS; CELLULOSE; BIOMASS; MODEL; LIGNIN AB Torrefaction is a thermal treatment without air or oxygen in the temperature range of 473-573 K. The pyrolysis kinetics of three chemical components (cellulose, hemicelluloses, and lignin) and wood at low temperatures of relevance to torrefaction conditions have been reviewed. A series of thermogravimetric (TG) experiments have been carried out to study the intrinsic torrefaction kinetics of major chemical components and British Columbia (BC) softwoods. The weight loss during BC softwood torrefaction was found to be mainly associated with the decomposition of hemicelluloses, although there was also certain degree of decomposition of cellulose and lignin. The weight loss of the BC softwoods during torrefaction could be approximately estimated from the chemical composition of wood species and the weight loss data for torrefaction of pure cellulose, hemicelluloses, and lignin, respectively. Based on the fitting of the TG curves of BC softwoods and three chemical components, two different torrefaciton models were proposed. The simple one-step (single-stage) kinetic model with the first order reaction can predict the reaction data reasonably well over the long residence time, with the final sample weight being strongly related to the torrefaction temperature. A two-component and one-step first order reaction kinetic model, on the other hand, gave improved agreement with data over short residence time, and can be used to guide the design and optimization of torrefaction reactors over the weight loss range of 0 to 40% at the temperature range of 533-573 K, which covers the typical range of industrially relevant operations. C1 [Peng, Jianghong; Bi, Xiaotao T.; Lim, Jim; Sokhansanj, Shabab] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shabab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Bi, XTT (reprint author), Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. EM jpeng@chbe.ubc.ca; xbi@chbe.ubc.ca; cjlim@chbe.ubc.ca; shababs@chbe.ubc.ca FU Natural Science and Engineering Research Council (NSERC) of Canada; Wood Pellet Association of Canada FX The authors are grateful to the financial support from the Natural Science and Engineering Research Council (NSERC) of Canada and the Wood Pellet Association of Canada. NR 65 TC 9 Z9 9 U1 2 U2 28 PU WALTER DE GRUYTER & CO PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 1542-6580 J9 INT J CHEM REACT ENG JI Int. J. Chem. React. Eng. PY 2012 VL 10 AR A15 DI 10.1515/1542-6580.2878 PG 40 WC Engineering, Chemical SC Engineering GA 941RN UT WOS:000303981000012 ER PT J AU Wei, Q Yang, DL Larson, TE Kinnibrugh, TL Zou, RQ Henson, NJ Timofeeva, T Xu, HW Zhao, YS Mattes, BR AF Wei, Qiang Yang, Dali Larson, Toti Eric Kinnibrugh, Tiffany L. Zou, Ruqiang Henson, Neil J. Timofeeva, Tatiana Xu, Hongwu Zhao, Yusheng Mattes, Benjamin R. TI Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID METAL-ORGANIC FRAMEWORK; COORDINATION POLYMERS; SORPTION PROPERTIES; PORE-SIZE; DESIGN; MOLECULES; CHEMISTRY; STORAGE; N-2; H-2 AB A new porous MOF, Zn(TBC)(2)center dot{guest}, is synthesized and studied by the single crystallography, N-2 isothermal adsorption and GC separation of CO2 from air. This MOF shows large hysteresis on N-2 adsorption at 77 K up to a P/P-o of 0.9, which arises from the unique zig-zag channel structures of the framework. The MOF shows promising separation ability for CO2 from air. C1 [Wei, Qiang; Mattes, Benjamin R.] Santa Fe Sci & Technol Inc, Santa Fe, NM 87507 USA. [Yang, Dali; Larson, Toti Eric; Zou, Ruqiang; Henson, Neil J.; Xu, Hongwu; Zhao, Yusheng] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kinnibrugh, Tiffany L.; Timofeeva, Tatiana] New Mexico Highlands Univ, Dept Chem, Las Cruces, NM 87701 USA. RP Mattes, BR (reprint author), Santa Fe Sci & Technol Inc, Santa Fe, NM 87507 USA. EM mattes@sfst.net RI Lujan Center, LANL/G-4896-2012; zou, ruqiang/N-8803-2013; OI Larson, Toti/0000-0002-2291-5979; Xu, Hongwu/0000-0002-0793-6923; Henson, Neil/0000-0002-1842-7884; Zou, Ruqiang/0000-0003-0456-4615 FU LANL LDRD-DR; Los Alamos National Security, LLC, under DOE [DE-AC52-06NA25396]; Santa Fe Science and Technology, Inc., under DOE [DE-FE 0001293] FX This work was initially funded by the LANL LDRD-DR project on inclusion compound materials for hydrogen storage, at the Los Alamos National Laboratory, which is operated by Los Alamos National Security, LLC, under DOE Contract DE-AC52-06NA25396. The work was continued at Santa Fe Science and Technology, Inc., under DOE contract number DE-FE 0001293. The authors thank Dr Hani El-Kaderi from Virginia Commonwealth University for providing assistance in making MOF plots. NR 23 TC 13 Z9 13 U1 5 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 20 BP 10166 EP 10171 DI 10.1039/c2jm15860d PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 934KF UT WOS:000303442300011 ER PT J AU Perry, JJ Feng, PL Meek, ST Leong, K Doty, FP Allendorf, MD AF Perry, John J. Feng, Patrick L. Meek, Scott T. Leong, Kirsty Doty, F. Patrick Allendorf, Mark D. TI Connecting structure with function in metal-organic frameworks to design novel photo- and radioluminescent materials SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID SCINTILLATION INTENSITY; RADIATION DAMAGE; TIME DEPENDENCE; PORE-SIZE; LUMINESCENCE; ANTHRACENE; FLUORESCENCE; CHEMISTRY; SOLIDS; PYRENE AB The exemplary structural versatility and permanent porosity of Metal-Organic Frameworks (MOFs) and their consequent potential for breakthroughs in diverse applications have caused these hybrid materials to become the focus of vigorous investigation. These properties also hold significance for applications beyond those traditionally envisioned for microporous materials, such as radiation detection and other luminescence-based sensing applications. In this contribution we demonstrate that luminescence induced by ionizing radiation (also known as scintillation) is common in appropriately designed MOFs and describe how this property can be harnessed to generate novel materials useful for detecting radiation. Through a diverse selection of MOFs, we explore the structural properties of MOFs that give rise to scintillation and photoluminescence in these materials. These results enable us to define a new structure-based hierarchical system for understanding luminescent properties in MOFs. Finally, we describe some performance metrics for MOF-based scintillation counters, such as luminosity and resistance to radiation damage, and discuss how these materials relate to the current state of the art in scintillation counters. C1 [Perry, John J.; Feng, Patrick L.; Meek, Scott T.; Leong, Kirsty; Doty, F. Patrick; Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA USA. RP Allendorf, MD (reprint author), Sandia Natl Labs, Mail Stop 9291,POB 969, Livermore, CA USA. EM mdallen@sandia.gov RI Perry IV, John/C-9155-2011 OI Perry IV, John/0000-0001-9393-5451 FU U. S. Dept. of Energy Office of Nonproliferation Technologies [SL10-MOF-PD05]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Mike L. Smith (Sandia National Laboratories, NM) for assistance with cathodoluminescence spectroscopy. This research was funded by the U. S. Dept. of Energy Office of Nonproliferation Technologies Advanced Materials Program contract # SL10-MOF-PD05. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 41 TC 38 Z9 38 U1 8 U2 120 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 20 BP 10235 EP 10248 DI 10.1039/c2jm16627e PG 14 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 934KF UT WOS:000303442300020 ER PT J AU Li, XL Meduri, P Chen, XL Qi, W Engelhard, MH Xu, W Ding, F Xiao, J Wang, W Wang, CM Zhang, JG Liu, J AF Li, Xiaolin Meduri, Praveen Chen, Xilin Qi, Wen Engelhard, Mark H. Xu, Wu Ding, Fei Xiao, Jie Wang, Wei Wang, Chongmin Zhang, Ji-Guang Liu, Jun TI Hollow core-shell structured porous Si-C nanocomposites for Li-ion battery anodes SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID LITHIUM SECONDARY BATTERIES; SILICON ANODE; RECHARGEABLE BATTERIES; CURRENT COLLECTOR; PERFORMANCE; STORAGE; CAPACITY; ELECTRODES; CARBON; COMPOSITE AB Hollow core-shell structured porous Si-C nanocomposites with void space up to tens of nanometres are designed to accommodate the volume expansion during lithiation for high-performance Li-ion battery anodes. An initial capacity of similar to 760 mA h g(-1) after formation cycles (based on the entire electrode weight) with similar to 86% capacity retention over 100 cycles is achieved at a current density of 1 A g(-1). Good rate performance is also demonstrated. C1 [Li, Xiaolin; Meduri, Praveen; Chen, Xilin; Qi, Wen; Engelhard, Mark H.; Xu, Wu; Ding, Fei; Xiao, Jie; Wang, Wei; Wang, Chongmin; Zhang, Ji-Guang; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Qi, Wen] Tianjin Univ, Dept Mat Sci & Engn, Tianjin 300072, Peoples R China. [Ding, Fei] Tianjin Inst Power Sources, Natl Key Lab Power Sources, Tianjin 300381, Peoples R China. RP Li, XL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Xiaolin.li@pnl.gov; jun.liu@pnl.gov RI Engelhard, Mark/F-1317-2010; Chen, Xilin/A-1409-2012; Wang, Wei/F-4196-2010; OI Wang, Wei/0000-0002-5453-4695; Xu, Wu/0000-0002-2685-8684; Engelhard, Mark/0000-0002-5543-0812 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U. S. Department of Energy [DE-AC02-05CH11231, 18769] 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 no. DE-AC02-05CH11231, subcontract no. 18769 under the Batteries for Advanced Transportation Technologies (BATT) program. A portion of the research was performed in 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 38 TC 113 Z9 118 U1 16 U2 202 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 22 BP 11014 EP 11017 DI 10.1039/c2jm31286g PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 942QO UT WOS:000304062300010 ER PT J AU Cox, SJ Kathmann, SM Purton, JA Gillan, MJ Michaelides, A AF Cox, Stephen J. Kathmann, Shawn M. Purton, John A. Gillan, Michael J. Michaelides, Angelos TI Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID VIRTUAL METAL-SURFACE; WETTING LAYER; WATER; NUCLEATION; ADSORPTION; KAOLINITE; POTENTIALS; SIMULATION; AEROSOLS; CLOUDS AB It has long been known that ice nucleation usually proceeds heterogeneously on the surface of a foreign body. However, little is known at the microscopic level about which properties of a material determine its effectiveness at nucleating ice. This work focuses on the long standing, conceptually simple, view on the role of a good crystallographic match between bulk ice and the underlying substrate. We use grand canonical Monte Carlo to generate the first overlayer of water at the surface and find that the traditional view of heterogeneous nucleation does not adequately account for the array of structures that water may form at the surface. We find that, in order to describe the structures formed, a good match between the substrate and the nearest neighbour oxygen-oxygen distance is a better descriptor than a good match to the bulk ice lattice constant. C1 [Cox, Stephen J.; Gillan, Michael J.; Michaelides, Angelos] UCL, Thomas Young Ctr, London Ctr Nanotechnol, London WC1E 6BT, England. [Cox, Stephen J.; Michaelides, Angelos] UCL, Dept Chem, London WC1E 6BT, England. [Kathmann, Shawn M.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Purton, John A.] STFC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Gillan, Michael J.] UCL, Dept Phys & Astron, London WC1E 6BT, England. RP Cox, SJ (reprint author), UCL, Thomas Young Ctr, London Ctr Nanotechnol, Mortimer St, London WC1E 6BT, England. RI Michaelides, Angelos/K-8727-2012; OI Michaelides, Angelos/0000-0002-9169-169X FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; EPSRC [EP/F067496]; Office of Science and Technology through EPSRC; U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences; ERC FX The authors are grateful to Dr Gregory Schenter for many useful discussions and Dr Peter Feibelman for his comments on the manuscript. 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. We are grateful to the London Centre for Nanotechnology and UCL Research Computing for computational resources. via our membership of the UK's HPC Materials Chemistry Consortium, which is funded by EPSRC (EP/F067496), this work made use of the facilities of HECToR, the UK's national high-performance computing service, which is provided by UoE HPCx Ltd. at the University of Edinburgh, Cray Inc., and NAG Ltd., and funded by the Office of Science and Technology through EPSRC's High End Computing Programme. This work was supported in part by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Program. A.M. is supported by the ERC. NR 50 TC 22 Z9 22 U1 1 U2 62 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 22 BP 7944 EP 7949 DI 10.1039/c2cp23438f PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 943EB UT WOS:000304102200006 PM 22555609 ER PT J AU Zhou, J Zhou, J Camillone, N White, MG AF Zhou, Jing Zhou, Jia Camillone, Nicholas, III White, Michael G. TI Electronic charging of non-metallic clusters: size-selected MoxSy clusters supported on an ultrathin alumina film on NiAl(110) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LOCAL WORK FUNCTION; THIN-FILMS; FORCE MICROSCOPY; OXIDE-FILM; ADSORPTION; CATALYSTS; SURFACE; PARTICLES; TUNGSTEN; AU(111) AB Two photon photoemission was used to investigate the interfacial charge transfer for size-selected MoxSy (x/y: 2/6, 4/6, 6/8, 7/10) clusters deposited on an ultrathin alumina film prepared on a NiAl(110) surface. The local work function of the surface increases with increasing cluster coverage, which is unexpected for charge transfer resulting from the formation of Mo-O bonds between the clusters and the alumina surface. By analogy with Au atoms and clusters on metal-supported ultrathin oxide films, we invoke electron tunneling from the NiAl substrate to explain the charge transfer to the MoxSy clusters. Electron tunneling is favored by the large electron affinities of the MoxSy clusters and the relatively low work function induced by the presence of the alumina film. The interfacial dipole moments derived from coverage-dependent measurements are cluster dependent and reflect differences in MoxSy cluster structure and surface bonding. These results extend previous observations of electronic charging to non-metallic clusters, specifically, metal sulfides, and suggest a novel way to modify the electronic structure and reactivity of nanocatalysts for heterogeneous chemistry. C1 [Zhou, Jing; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Zhou, Jia; Camillone, Nicholas, III; White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Zhou, J (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. FU U.S. Department of Energy (Division of Chemical Sciences) [DE-AC02-98CH10086] FX The experiments were carried out in the Chemistry Department at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10086 with the U.S. Department of Energy (Division of Chemical Sciences). NR 47 TC 15 Z9 15 U1 0 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 22 BP 8105 EP 8110 DI 10.1039/c2cp40921f PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 943EB UT WOS:000304102200026 PM 22534692 ER PT J AU Bhakta, RK Maharrey, S Stavila, V Highley, A Alam, T Majzoub, E Allendorf, M AF Bhakta, Raghunandan K. Maharrey, Sean Stavila, Vitalie Highley, Aaron Alam, Todd Majzoub, Eric Allendorf, Mark TI Thermodynamics and kinetics of NaAlH4 nanocluster decomposition SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID HYDROGEN STORAGE MATERIALS; SODIUM ALANATE NANOPARTICLES; METAL-ORGANIC FRAMEWORKS; NANOPOROUS CARBON; ALUMINUM HYDRIDES; RELEASE; INFILTRATION; CONFINEMENT; CATALYSTS; AMMONIA AB Reactive nanoparticles are of great interest for applications ranging from catalysis to energy storage. However, efforts to relate cluster size to thermodynamic stability and chemical reactivity are hampered by broad pore size distributions and poorly characterized chemical environments in many microporous templates. Metal hydrides are an important example of this problem. Theoretical calculations suggest that reducing their critical dimension to the nanoscale can in some cases considerably destabilize these materials and there is clear experimental evidence for accelerated kinetics, making hydrogen storage applications more attractive in some cases. However, quantitative measurements establishing the influence of size on thermodynamics are lacking, primarily because carbon aerogels often used as supports provide inadequate control over size and pore chemistry. Here, we employ the nanoporous metal-organic framework (MOF) Cu-BTC (also known as HKUST-1) as a template to synthesize and confine the complex hydride NaAlH4. The well-defined crystalline structure and monodisperse pore dimensions of this MOF allow detailed, quantitative probing of the thermodynamics and kinetics of H-2 desorption from 1-nm NaAlH4 clusters (NaAlH4@Cu-BTC) without the ambiguity associated with amorphous templates. Hydrogen evolution rates were measured as a function of time and temperature using the Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry method, in which sample mass changes are correlated with a complete analysis of evolved gases. NaAlH4@Cu-BTC undergoes a single-step dehydrogenation reaction in which the Na3AlH6 intermediate formed during decomposition of the bulk hydride is not observed. Comparison of the thermodynamically controlled quasi-equilibrium reaction pathways in the bulk and nanoscale materials shows that the nanoclusters are slightly stabilized by confinement, having an H-2 desorption enthalpy that is 7 kJ (mol H-2)(-1) higher than the bulk material. In addition, the activation energy for desorption is only 53 kJ (mol H-2)(-1), more than 60 kJ (mol H-2)(-1) lower than the bulk. When combined with first-principles calculations of cluster thermodynamics, these data suggest that although interactions with the pore walls play a role in stabilizing these particles, size exerts the greater influence on the thermodynamics and reaction rates. C1 [Bhakta, Raghunandan K.; Allendorf, Mark] Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA 94551 USA. [Maharrey, Sean; Stavila, Vitalie; Highley, Aaron] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Alam, Todd] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Majzoub, Eric] Univ Missouri, Dept Phys, St Louis, MO 63130 USA. RP Allendorf, M (reprint author), Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA 94551 USA. EM mdallen@sandia.gov RI Stavila, Vitalie/B-6464-2008 OI Stavila, Vitalie/0000-0003-0981-0432 FU US DOE; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the US DOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 49 TC 17 Z9 17 U1 9 U2 58 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 22 BP 8160 EP 8169 DI 10.1039/c2cp40196g PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 943EB UT WOS:000304102200032 PM 22569707 ER PT J AU Enokizono, A AF Enokizono, Akitomo TI Systematic Measurements of HBT Radii in Relativistic Heavy-Ion Collisions SO PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT LA English DT Article; Proceedings Paper CT 41st International Symposium on Multiparticle Dynamics (ISMD) CY SEP 26-30, 2011 CL Miyajima, JAPAN SP Hiroshima Univ, Riken-Nishina Ctr, High Energy Accelerator Res Org (KEK), Inoue Fdn Sci, Minist Educ, Culture, Sports, Sci & Technol (MEXT) ID INTERFEROMETRY AB Recent measurements of Hunbury Brown-Twiss (HBT) effect for charged pions and kaons by PHENIX and STAR at RHIC are reported. 3-dimensional HBT radii are extensively measured as functions of collision centrality, particle multiplicity, reaction plane and pair momentum for different collision energies and systems, and systematically compared to understand properties of the space-time evolution of source created in the relativistic heavy-ion collisions. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Enokizono, A (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU PROGRESS THEORETICAL PHYSICS PUBLICATION OFFICE PI KYOTO PA C/O KYOTO UNIV, YUKAWA HALL, KYOTO, 606-8502, JAPAN SN 0375-9687 J9 PROG THEOR PHYS SUPP JI Prog. Theor. Phys. Suppl. PY 2012 IS 193 BP 141 EP 144 PG 4 WC Physics, Multidisciplinary SC Physics GA 941FL UT WOS:000303949000028 ER PT J AU Masui, H AF Masui, Hiroshi TI Recent Flow Measurements at RHIC SO PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT LA English DT Article; Proceedings Paper CT 41st International Symposium on Multiparticle Dynamics (ISMD) CY SEP 26-30, 2011 CL Miyajima, JAPAN SP Hiroshima Univ, Riken-Nishina Ctr, High Energy Accelerator Res Org (KEK), Inoue Fdn Sci, Minist Educ, Culture, Sports, Sci & Technol (MEXT) AB Collective flow has been played major role to understand the properties of the medium in the early stage of ultra-relativistic heavy ion collisions at RHIC. This contribution reviews recent measurements of elliptic flow v(2) and triangular flow v(3) from both STAR and PHENIX experiments at RHIC. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Masui, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS70R304, Berkeley, CA 94720 USA. NR 13 TC 0 Z9 0 U1 0 U2 2 PU PROGRESS THEORETICAL PHYSICS PUBLICATION OFFICE PI KYOTO PA C/O KYOTO UNIV, YUKAWA HALL, KYOTO, 606-8502, JAPAN SN 0375-9687 J9 PROG THEOR PHYS SUPP JI Prog. Theor. Phys. Suppl. PY 2012 IS 193 BP 149 EP 152 PG 4 GA 941FL UT WOS:000303949000030 ER PT J AU Mocsy, A AF Mocsy, Agnes TI Viscosity versus Causality SO PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT LA English DT Article; Proceedings Paper CT 41st International Symposium on Multiparticle Dynamics (ISMD) CY SEP 26-30, 2011 CL Miyajima, JAPAN SP Hiroshima Univ, Riken-Nishina Ctr, High Energy Accelerator Res Org (KEK), Inoue Fdn Sci, Minist Educ, Culture, Sports, Sci & Technol (MEXT) AB The role of the acoustic horizon and viscous-type effects on the power spectrum of heavy-ion collisions is discussed. We suggest an explanation for the suppression of lower harmonics in the intermediate p(t) power spectrum. C1 [Mocsy, Agnes] Pratt Inst, Dept Math & Sci, Brooklyn, NY 11205 USA. [Mocsy, Agnes] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Mocsy, A (reprint author), Pratt Inst, Dept Math & Sci, Brooklyn, NY 11205 USA. NR 8 TC 0 Z9 0 U1 0 U2 1 PU PROGRESS THEORETICAL PHYSICS PUBLICATION OFFICE PI KYOTO PA C/O KYOTO UNIV, YUKAWA HALL, KYOTO, 606-8502, JAPAN SN 0375-9687 J9 PROG THEOR PHYS SUPP JI Prog. Theor. Phys. Suppl. PY 2012 IS 193 BP 331 EP 334 PG 4 GA 941FL UT WOS:000303949000069 ER PT J AU Dumitru, A AF Dumitru, Adrian TI Phenomenology of High Gluon Density QCD and Heavy-Ion Physics at ISMD 2011: x Smaller than Ever! SO PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT LA English DT Article; Proceedings Paper CT 41st International Symposium on Multiparticle Dynamics (ISMD) CY SEP 26-30, 2011 CL Miyajima, JAPAN SP Hiroshima Univ, Riken-Nishina Ctr, High Energy Accelerator Res Org (KEK), Inoue Fdn Sci, Minist Educ, Culture, Sports, Sci & Technol (MEXT) ID COLOR GLASS CONDENSATE; LARGE NUCLEI AB I provide a brief summary of the theory presentations at ISMD 2011 related to the phenomenology of small-x QCD evolution and its application to particle production and fluctuations in high-energy hadron and heavy-ion collisions. I also mention some challenges for quantitative phenomenology which emerged from the LHC, such as understanding the long-range "ridge" in high-multiplicity p + p collisions, the transverse momentum distributions in p + p at semi-hard p perpendicular to, and the origin and scale of density fluctuations in the initial state of heavy-ion collisions. C1 [Dumitru, Adrian] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Dumitru, Adrian] CUNY, Baruch Coll, Dept Nat Sci, New York, NY 10010 USA. RP Dumitru, A (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. EM Adrian.Dumitru@baruch.cuny.edu NR 41 TC 0 Z9 0 U1 0 U2 1 PU PROGRESS THEORETICAL PHYSICS PUBLICATION OFFICE PI KYOTO PA C/O KYOTO UNIV, YUKAWA HALL, KYOTO, 606-8502, JAPAN SN 0375-9687 J9 PROG THEOR PHYS SUPP JI Prog. Theor. Phys. Suppl. PY 2012 IS 193 BP 348 EP 357 PG 10 GA 941FL UT WOS:000303949000072 ER PT J AU Cheng, SF Aggarwal, A Stevens, MJ AF Cheng, Shengfeng Aggarwal, Ankush Stevens, Mark J. TI Self-assembly of artificial microtubules SO SOFT MATTER LA English DT Article ID BACTERIAL SURFACE-LAYERS; NANOTUBE ARCHITECTURES; DYNAMIC INSTABILITY; MONTE-CARLO; S-LAYER; MODEL; NUCLEATION; LATTICE; TUBES; POLYMERIZATION AB Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example of a biopolymer that possesses characteristics quite distinct from standard synthetic polymers that are derived from its hierarchical structure. In order to understand how to design and build artificial polymers that possess features similar to those of microtubules, we have initially studied the self-assembly of model monomers into a tubule geometry. Our model monomer has a wedge shape with lateral and vertical binding sites that are designed to form tubules. We used molecular dynamics simulations to study the assembly process for a range of binding site interaction strengths. In addition to determining the optimal regime for obtaining tubules, we have calculated a diagram of the structures that form over a wide range of interaction strengths. Unexpectedly, we find that the helical tubules form, even though the monomer geometry is designed for nonhelical tubules. We present the detailed dynamics of the tubule self-assembly process and show that the interaction strengths must be in a limited range to allow rearrangement within clusters. We extended previous theoretical methods to treat our system and to calculate the boundaries between different structures in the diagram. C1 [Cheng, Shengfeng; Stevens, Mark J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Aggarwal, Ankush] Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. RP Cheng, SF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sncheng@sandia.gov OI Cheng, Shengfeng/0000-0002-6066-2968; Aggarwal, Ankush/0000-0002-1755-8807 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC0203010] 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. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC0203010. NR 54 TC 8 Z9 8 U1 1 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2012 VL 8 IS 20 BP 5666 EP 5678 DI 10.1039/c2sm25068c PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 941WN UT WOS:000303998700031 ER PT J AU Bohinc, K Grime, JMA Lue, L AF Bohinc, Klemen Grime, John M. A. Lue, Leo TI The interactions between charged colloids with rod-like counterions SO SOFT MATTER LA English DT Article ID DNA; IONS; FORCES; SURFACTANTS; MACROIONS; WEAK AB We examine the force between two equally charged surfaces that is mediated by rod-like counterions of varying length and valency. The analysis is based on an extension of a previously developed approximate field theory which is accurate from the weak to the strong electrostatic coupling regimes. This theory is found to agree well with Monte Carlo simulation results for the counterion density distribution in the system. We map out the values of the plate separations and surface charge densities where the force between the plates is attractive. For sufficiently high surface charge densities and sufficiently large counterion lengths, there are two distinct regions of attraction between the surfaces: one at separations of about the counterion length that is associated with the "bridging'' of the two surfaces by the counterions and another at lower separations that is due to correlations between the counterions. As the length of the rod-like counterions decreases, the "bridging'' region moves to lower plate separations until the two attractive regions merge together and approach the point charge limit. C1 [Lue, Leo] Univ Strathclyde, Dept Chem & Proc Engn, Glasgow G1 1XJ, Lanark, Scotland. [Bohinc, Klemen] Univ Ljubljana, Fac Hlth Sci, SI-1000 Ljubljana, Slovenia. [Grime, John M. A.] Univ Chicago, Dept Chem, Searle Chem Lab, Chicago, IL 60637 USA. [Grime, John M. A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Lue, L (reprint author), Univ Strathclyde, Dept Chem & Proc Engn, James Weir Bldg,75 Montrose St, Glasgow G1 1XJ, Lanark, Scotland. EM leo.lue@strath.ac.uk RI Lue, Leo/E-7846-2011 OI Lue, Leo/0000-0002-4826-5337 NR 30 TC 25 Z9 25 U1 0 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2012 VL 8 IS 20 BP 5679 EP 5686 DI 10.1039/c2sm07463j PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 941WN UT WOS:000303998700032 ER PT J AU Alivisatos, AP Lieber, CM AF Alivisatos, A. Paul Lieber, Charles M. TI Wolf Prize in Chemistry for A. Paul Alivisatos and Charles M. Lieber SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT News Item C1 [Alivisatos, A. Paul] Univ Calif Berkeley, AT&T Bell Labs, Berkeley, CA 94720 USA. [Lieber, Charles M.] CALTECH, Pasadena, CA 91125 USA. [Lieber, Charles M.] Columbia Univ, New York, NY 10027 USA. RP Alivisatos, AP (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 11 TC 0 Z9 0 U1 1 U2 30 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 20 BP 4779 EP 4779 DI 10.1002/anie.201202491 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 940XA UT WOS:000303925200001 ER PT J AU Shyam, B Chapman, KW Balasubramanian, M Klingler, RJ Srajer, G Chupas, PJ AF Shyam, Badri Chapman, Karena W. Balasubramanian, Mahalingam Klingler, Robert J. Srajer, George Chupas, Peter J. TI Structural and Mechanistic Revelations on an Iron Conversion Reaction from Pair Distribution Function Analysis SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE electrochemistry; energy conversion; iron; nanoparticles; pair distribution function (PDF) ID LITHIUM STORAGE PROPERTIES; ION BATTERIES; ELECTRODE MATERIALS; CATHODE MATERIALS; PARTICLE-SIZE; ALPHA-FE2O3; INTERCALATION; FLUORIDE; LITHIATION; INSERTION C1 [Shyam, Badri; Chapman, Karena W.; Balasubramanian, Mahalingam; Klingler, Robert J.; Srajer, George; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. RP Chapman, KW (reprint author), Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chapmank@aps.anl.gov RI Chapman, Karena/G-5424-2012 FU U.S. DOE [DE-AC02-06CH11357, DE-SC0001294]; Argonne; Northeastern Center for Chemical Energy Storage FX Work done at Argonne and use of the Advanced Photon Source (APS), an Office of Science User Facility operated for the U. S. DOE Office of Science by Argonne National Laboratory, were supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The electrochemistry laboratory maintained by the Structural Science group at the APS is jointly supported by Argonne and the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. DOE under award No. DE-SC0001294. We acknowledge discussions with K. Wiaderek, S. Pol, O. Borkiewicz, R. Winans, K. Nemeth, S. Heald, and G. Sandi-Tapia. NR 38 TC 17 Z9 17 U1 2 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 20 BP 4852 EP 4855 DI 10.1002/anie.201200244 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 940XA UT WOS:000303925200011 PM 22492683 ER PT J AU Kuvychko, IV Spisak, SN Chen, YS Popov, AA Petrukhina, MA Strauss, SH Boltalina, OV AF Kuvychko, Igor V. Spisak, Sarah N. Chen, Yu-Sheng Popov, Alexey A. Petrukhina, Marina A. Strauss, Steven H. Boltalina, Olga V. TI A Buckybowl with a Lot of Potential: C5-C20H5(CF3)5 SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE corannulene; density functional calculations; electrochemistry; fluorinated compounds; X-ray diffraction ID GEODESIC POLYARENES; CORANNULENE; DERIVATIVES; RAY; DFT C1 [Popov, Alexey A.] Leibniz Inst Solid State & Mat Res, Dept Electrochem & Conducting Polymers, D-01069 Dresden, Germany. [Spisak, Sarah N.; Petrukhina, Marina A.] SUNY Albany, Dept Chem, Albany, NY 12222 USA. [Chen, Yu-Sheng] Univ Chicago, ChemMatCARS Ctr Adv Radiat Sources, Adv Photon Source, Chicago, IL 60637 USA. [Kuvychko, Igor V.; Strauss, Steven H.; Boltalina, Olga V.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. RP Popov, AA (reprint author), Leibniz Inst Solid State & Mat Res, Dept Electrochem & Conducting Polymers, D-01069 Dresden, Germany. EM mpetrukhina@albany.edu; steven.strauss@colostate.edu; olga.boltalina@colostate.edu RI Popov, Alexey/A-9937-2011 OI Popov, Alexey/0000-0002-7596-0378 FU U.S. NSF [CHE-1012468, CHE-0546945]; NSF/DOE [NSF/CHE-0822838]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank the U.S. NSF (CHE-1012468 (OVB/SHS) and CHE-0546945 (M. A. P.)) for financial support and Prof. L. Dunsch for his continuing support. ChemMatCARS Sector15 is principally supported by the NSF/DOE (NSF/CHE-0822838). Use of the APS was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences under contract DE-AC02-06CH11357. NR 24 TC 36 Z9 36 U1 0 U2 34 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 20 BP 4939 EP 4942 DI 10.1002/anie.201200178 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 940XA UT WOS:000303925200031 PM 22492671 ER PT J AU Chua, YS Li, W Shaw, WJ Wu, GT Autrey, T Xiong, ZT Wong, MW Chen, P AF Chua, Yong Shen Li, Wen Shaw, Wendy J. Wu, Guotao Autrey, Tom Xiong, Zhitao Wong, Ming Wah Chen, Ping TI Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate SO CHEMSUSCHEM LA English DT Article DE ab initio calculations; boranes; dehydrogenation; isotopic labeling; reaction mechanisms ID HYDROGEN STORAGE MATERIAL; METAL AMIDOBORANES; LITHIUM HYDRIDE; RELEASE; AMIDOTRIHYDROBORATE; ALKALI; ENERGY AB Possessing high H2 capacities and interesting dehydrogenation behavior, metal amidoborane ammoniates were prepared by reacting Ca(NH2)2, MgNH, and LiNH2 with ammonia borane to form Ca(NH2BH3)(2).2?NH3, Mg(NH2BH3)(2).NH3, and Li(NH2BH3)(2).NH3 (LiAB.NH3). Insight into the mechanisms of amidoborane ammoniate formation and dehydrogenation was obtained by using isotopic labeling techniques. Selective 15N and 2H labeling showed that the formation of the ammoniate occurs via the transfer of one H(N) from ammonia borane to the [NH2]- unit in Ca(NH2)2 giving rise to NH3 and [NH2BH3]-. Supported by theoretical calculations, it is suggested that the improved dehydrogenation properties of metal amidoborane ammoniates compared to metal amidoboranes are a result of the participation of a strong dihydrogen bond between the NH3 molecule and [NH2BH3]-. Our study elucidates the reaction pathway involved in the synthesis and dehydrogenation of Ca(NH2BH3)(2).2?NH3, and clarifies our understanding of the role of NH3, that is, it is not only involved in stabilizing the structure, but also in improving the dehydrogenation properties of metal amidoboranes. C1 [Chua, Yong Shen; Wu, Guotao; Xiong, Zhitao; Chen, Ping] Dalian Inst Chem Phys, Dalian 116023, Peoples R China. [Chua, Yong Shen; Wong, Ming Wah] Natl Univ Singapore, Dept Chem, Singapore 117542, Singapore. [Li, Wen] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore. [Shaw, Wendy J.; Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Chua, YS (reprint author), Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China. EM wgt@dicp.ac.cn; xzt@dicp.ac.cn RI Chua, Yong Shen/J-3551-2016; OI Yang, Shuman/0000-0002-9638-0890; Chua, Yong Shen/0000-0002-9207-5776 FU 973 project [2010CB631304]; CAS [KGCX2-YW-806, KJCX2-YW-H21]; National Natural Science Foundation of China [20971120, 10979051, 20973162]; National University of Singapore; US Department of Energy (DOE), Office of Basic Energy Sciences; DOE Office of Biological and Environmental Research FX The authors acknowledge financial support from the 973 project (2010CB631304), the Hundred Talents Project and Knowledge Innovation Project of CAS (KGCX2-YW-806 & KJCX2-YW-H21), the National Natural Science Foundation of China (20971120, 10979051, and 20973162), and a scholarship from the National University of Singapore. T. A. and W.J.S. acknowledge support from the US Department of Energy (DOE), Office of Basic Energy Sciences. NMR measurements were performed at EMSL, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). NR 23 TC 7 Z9 8 U1 0 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1864-5631 EI 1864-564X J9 CHEMSUSCHEM JI ChemSusChem PY 2012 VL 5 IS 5 SI SI BP 927 EP 931 DI 10.1002/cssc.201100523 PG 5 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 939XS UT WOS:000303854800016 PM 22290865 ER PT J AU Zelezny, V Soukiassian, A Xi, XX Schlom, DG Hlinka, J Kadlec, C Nakhmanson, SM AF Zelezny, V. Soukiassian, A. Xi, X. X. Schlom, D. G. Hlinka, J. Kadlec, C. Nakhmanson, S. M. TI Infrared Spectroscopy of Nanoscopic Epitaxial BaTiO3/SrTiO3 Superlattices SO INTEGRATED FERROELECTRICS LA English DT Article; Proceedings Paper CT Conference of Information-Society-Innovation-Fund (ISIF) CY 2011 CL Cambridge, ENGLAND SP Informat Soc Innovat Fund DE Infrared spectroscopy; Ferroelectric superlattice ID FERROELECTRICITY C1 [Zelezny, V.; Hlinka, J.; Kadlec, C.] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic. [Soukiassian, A.; Schlom, D. G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Xi, X. X.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Nakhmanson, S. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Zelezny, V (reprint author), Acad Sci Czech Republic, Inst Phys, Na Slovance 2, Prague 18221 8, Czech Republic. EM zelezny@fzu.cz RI Kadlec, Christelle/G-7947-2014; Schlom, Darrell/J-2412-2013; Nakhmanson, Serge/A-6329-2014; Hlinka, Jiri/G-5985-2014; Zelezny, Vladimir/G-7420-2014 OI Kadlec, Christelle/0000-0003-2820-4462; Schlom, Darrell/0000-0003-2493-6113; Hlinka, Jiri/0000-0002-9293-4462; Zelezny, Vladimir/0000-0003-0991-2025 FU Grant Agency of the Czech Republic [P204/11/1011]; Ministry of Education of the Czech Republic [ME08109] FX This work was partially supported by the Grant Agency of the Czech Republic under Contract No. P204/11/1011 and by the Ministry of Education of the Czech Republic under Contract ME08109. NR 6 TC 0 Z9 0 U1 3 U2 22 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1058-4587 EI 1607-8489 J9 INTEGR FERROELECTR JI Integr. Ferroelectr. PY 2012 VL 134 BP 146 EP 148 DI 10.1080/10584587.2012.677590 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied; Physics, Condensed Matter SC Engineering; Physics GA 936DD UT WOS:000303570200020 ER PT J AU Jacobs, BC Weiler, CN Maranchi, JP Sprouse, CR Lucarelli, DG Rayburn, BG AF Jacobs, Bryan C. Weiler, Chad N. Maranchi, Jeffrey P. Sprouse, Chad R. Lucarelli, Dennis G. Rayburn, Brian G. TI All-Optical Computing Using the Zeno Effect SO JOHNS HOPKINS APL TECHNICAL DIGEST LA English DT Article AB All-optical switching and logic elements could be at the forefront of next-generation computing and telecommunications systems, but only if a few key issues with the technology can be resolved. We have developed an approach based on the Zeno effect that could overcome two of the biggest challenges with this technology: the need for intense optical fields and excessive power dissipation. A key feature of our approach is the somewhat counterintuitive use of optical absorption to implement an ultra-low-loss switch. In this article, we summarize the fundamental principles of our approach and present promising theoretical results detailing the potential performance of these devices. We also describe our experimental approach to demonstrating this technology, which includes a diverse combination of microdevice development and spectroscopy experiments in atomic vapors. C1 [Sprouse, Chad R.] Johns Hopkins Univ, Appl Phys Lab, REDD, Computat & Expt Phys Grp, Laurel, MD 20703 USA. [Weiler, Chad N.] Johns Hopkins Univ, Appl Phys Lab, Asymmetr Operat Dept, Image Exploitat Grp, Laurel, MD 20703 USA. [Lucarelli, Dennis G.] Johns Hopkins Univ, Appl Phys Lab, REDD, Informat Sci Grp, Laurel, MD 20703 USA. [Rayburn, Brian G.] Oak Ridge Inst Sci & Educ, ZEST Team, Oak Ridge, TN USA. EM bryan.jacobs@jhuapl.edu NR 16 TC 0 Z9 0 U1 0 U2 2 PU JOHNS HOPKINS UNIV PI LAUREL PA APPLIED PHYSICS LABORATORY ATTN: TECHNICAL DIGEST JOHN HOPKINS RD, BLDG 1W-131, LAUREL, MD 20723-6099 USA SN 0270-5214 EI 1930-0530 J9 J HOPKINS APL TECH D JI Johns Hopkins APL Tech. Dig. PY 2012 VL 30 IS 4 BP 346 EP 360 PG 15 WC Engineering, Multidisciplinary SC Engineering GA 938JM UT WOS:000303729800008 ER PT J AU Taylor-McCabe, KJ Shou, YL Hong-Geller, E AF Taylor-McCabe, Kirsten J. Shou, Yulin Hong-Geller, Elizabeth TI Effects of Bacillus anthracis hydrophobicity and induction of host cell death on sample collection from environmental surfaces SO JOURNAL OF GENERAL AND APPLIED MICROBIOLOGY LA English DT Article DE Bacillus anthracis; bioforensics; cell hydrophobicity; host cell viability; non-porous surfaces; soil ID REAL-TIME PCR; MICROBIAL FORENSICS; ADHESION; CHARGE; VIRULENCE; SYSTEM; BSLA AB The objective of this study is to determine whether DNA signature recovery of Bacillus anthracis strains from different environmental substrates correlates with pathogen cell surface hydrophobicity and induction of host cell death. We compared recovery of DNA signatures from a panel of B. anthracis strains collected from two environmental substrates, non-porous surfaces and soil, using real-time qPCR. We further assessed both cell surface hydrophobicity of the B. anthracis strains by contact angle measurements and host cell viability in response to B. anthracis infection in a mouse macrophage cell model system. Our studies demonstrated correlation between reduced B. anthracis sample recovery from environmental substrates and increased cell surface hydrophobicity. Surprisingly, the most hydrophilic strain, K4596, which exhibited the highest level of recovery from the environmental surfaces, induced the highest level of host cell cytotoxicity compared to more hydrophobic B. anthracis strains in the panel. Our results suggest that cell surface hydrophobicity may play a leading role in mediating pathogen adherence to environmental surfaces. These findings can contribute to the optimization of pathogen detection efforts by understanding how bacterial parameters such as hydrophobicity and induction of host cell death affect bacterial adherence to environmental surfaces. C1 [Taylor-McCabe, Kirsten J.; Shou, Yulin; Hong-Geller, Elizabeth] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Hong-Geller, E (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM ehong@lanl.gov FU Department of Homeland Security, Science and Technology Directorate FX We acknowledge Thomas Yoshida for technical assistance with microscopy of B. anthracis spore preparations. This work was supported by the Department of Homeland Security, Science and Technology Directorate. All authors state that there are no conflicts of interest. NR 20 TC 1 Z9 1 U1 0 U2 2 PU MICROBIOL RES FOUNDATION PI TOKYO PA JAPAN ACAD SOC CENTER BLDG 4-16 YAYOI 2-CHOME, TOKYO, 113-0032, JAPAN SN 0022-1260 EI 1349-8037 J9 J GEN APPL MICROBIOL JI J. Gen. Appl. Microbiol. PY 2012 VL 58 IS 2 BP 113 EP 119 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 940YJ UT WOS:000303928700005 PM 22688242 ER PT J AU Pan, WX Tartakovsky, AM Monaghan, JJ AF Pan, Wenxiao Tartakovsky, Alexandre M. Monaghan, Joe J. TI A smoothed-particle hydrodynamics model for ice-sheet and ice-shelf dynamics SO JOURNAL OF GLACIOLOGY LA English DT Article ID FREE-SURFACE; SIMULATION; FLOWS; SPH AB Mathematical modeling of ice sheets is complicated by the nonlinearity of the governing equations and boundary conditions. Standard grid-based methods require complex front-tracking techniques and have a limited capability to handle large material deformations and abrupt changes in bottom topography. Consequently, numerical methods are usually restricted to shallow ice-sheet and ice-shelf approximations. We propose a new smoothed-particle hydrodynamics (SPH) model for coupled ice-sheet and ice-shelf dynamics. SPH, a fully Lagrangian particle method, is highly scalable and its Lagrangian nature and meshless discretization are well suited to the simulation of free surface flows, large material deformation and material fragmentation. In this paper, we use the SPH model to study ice-sheet/ice-shelf behavior, and the dynamics of the grounding line. The steady-state position of the grounding line obtained from SPH simulations is in good agreement with laboratory observations for a wide range of simulated bedrock slopes and density ratios, similar to those of ice and sea water. The numerical accuracy of the SPH algorithm is verified by simulating the plane-shear flow of two immiscible fluids and the propagation of a highly viscous blob of fluid along a horizontal surface. In the experiment, the ice was represented with a viscous Newtonian fluid. For consistency, in the described SPH model the ice is also modeled as a viscous Newtonian fluid. Typically, ice sheets are modeled as a non-Newtonian fluid, accounting for the changes in the mechanical properties of the ice. Implementation of a non-Newtonian rheology in the SPH model is the subject of our ongoing research. C1 [Pan, Wenxiao; Tartakovsky, Alexandre M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Monaghan, Joe J.] Monash Univ, Sch Math Sci, Clayton, Vic 3800, Australia. RP Pan, WX (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM alexandre.tartakovsky@pnnl.gov FU Office of Science, US Department of Energy; US Department of Energy [DE-AC06-76RL01830] FX This research was supported by the Scientific Discovery through Advanced Computing Program of the Office of Science, US Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under contract DE-AC06-76RL01830. NR 29 TC 4 Z9 4 U1 0 U2 11 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 J9 J GLACIOL JI J. Glaciol. PY 2012 VL 58 IS 208 BP 216 EP 222 DI 10.3189/2012JoG11J084 PG 7 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 939BW UT WOS:000303782900002 ER PT J AU Ye, XH Zhang, CM Zhang, YHP AF Ye, Xinhao Zhang, Chenming Zhang, Y. -H. Percival TI Engineering a large protein by combined rational and random approaches: stabilizing the Clostridium thermocellum cellobiose phosphorylase SO MOLECULAR BIOSYSTEMS LA English DT Article ID DIRECTED EVOLUTION; RANDOM MUTAGENESIS; THERMAL-STABILITY; 3-ISOPROPYLMALATE DEHYDROGENASE; BACILLUS-SUBTILIS; ESCHERICHIA-COLI; THERMOSTABILITY; ENZYMES; SEQUENCE; DESIGN AB The Clostridium thermocellum cellobiose phosphorylase (CtCBP) is a large protein consisting of 812 amino acids and has great potential in the production of sugar phosphates, novel glycosides, and biofuels. It is relatively stable at 50 degrees C, but is rapidly inactivated at 70 degrees C. To stabilize CtCBP at elevated temperatures, two protein-engineering approaches were applied, i.e. site-directed mutagenesis based on structure-guided homology analysis and random mutagenesis at various mutation rates. The former chose substitutions by comparison of the protein sequences of CBP homologs, utilized structural information to identify key amino acid residues responsible for enhanced stability, and then created a few variants accurately. The latter constructed large libraries of random mutants at different mutagenesis frequencies. A novel combinational selection/screening strategy was employed to quickly isolate thermostability-enhanced and active variants. Several stability-enhanced mutants were obtained by both methods. Manually combining the stabilizing mutations identified from both rational and random approaches led to the best mutant (CM3) with the halftime of inactivation at 70 degrees C extended from 8.3 to 24.6 min. The temperature optimum of CM3 was increased from 60 to 80 degrees C. These results suggested that a combination of rational design and random mutagenesis could have a solid basis for engineering large proteins. C1 [Ye, Xinhao; Zhang, Chenming; Zhang, Y. -H. Percival] Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] Virginia Tech, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] US DOE, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Ye, XH (reprint author), Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. EM xhye@vt.edu; ypzhang@vt.edu RI Ye, Xinhao/J-7591-2013 FU Biological Systems Engineering Department of Virginia Tech; Air Force Office of Scientific Research [FA9550-08-1-0145]; USDA Biodesign and Bioprocess Center; DOE BESC FX This work was not possible without support from the Biological Systems Engineering Department of Virginia Tech, the Air Force Office of Scientific Research (FA9550-08-1-0145), the USDA Biodesign and Bioprocess Center, and DOE BESC to YPZ. The authors appreciated the constructive suggestions from the editor and the reviewers. NR 73 TC 14 Z9 14 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2012 VL 8 IS 6 BP 1815 EP 1823 DI 10.1039/c2mb05492b PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 939AR UT WOS:000303776200024 PM 22511238 ER PT J AU Liu, YY Vasudevan, RK Pan, K Xie, SH Liang, WI Kumar, A Jesse, S Chen, YC Chu, YH Nagarajan, V Kalinin, SV Li, JY AF Liu, Y. Y. Vasudevan, R. K. Pan, K. Xie, S. H. Liang, W-I Kumar, A. Jesse, S. Chen, Y-C Chu, Y-H Nagarajan, V. Kalinin, S. V. Li, J. Y. TI Controlling magnetoelectric coupling by nanoscale phase transformation in strain engineered bismuth ferrite SO NANOSCALE LA English DT Article ID FERROELECTRIC THIN-FILMS; ROOM-TEMPERATURE; FORCE MICROSCOPY; BIFEO3; FIELD; HETEROSTRUCTURES; MAGNETIZATION; MULTIFERROICS; NANOFIBERS; BOUNDARY AB The magnetoelectric coupling in multiferroic materials is promising for a wide range of applications, yet manipulating magnetic ordering by electric field proves elusive to obtain and difficult to control. In this paper, we explore the prospect of controlling magnetic ordering in misfit strained bismuth ferrite (BiFeO3, BFO) films, combining theoretical analysis, numerical simulations, and experimental characterizations. Electric field induced transformation from a tetragonal phase to a distorted rhombohedral one in strain engineered BFO films has been identified by thermodynamic analysis, and realized by scanning probe microscopy (SPM) experiment. By breaking the rotational symmetry of a tip-induced electric field as suggested by phase field simulation, the morphology of distorted rhombohedral variants has been delicately controlled and regulated. Such capabilities enable nanoscale control of magnetoelectric coupling in strain engineered BFO films that is difficult to achieve otherwise, as demonstrated by phase field simulations. C1 [Liu, Y. Y.; Xie, S. H.; Li, J. Y.] Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. [Liu, Y. Y.; Pan, K.; Xie, S. H.] Xiangtan Univ, Fac Mat Optoelect & Phys, Xiangtan 411105, Hunan, Peoples R China. [Liu, Y. Y.; Pan, K.; Xie, S. H.] Xiangtan Univ, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Hunan, Peoples R China. [Vasudevan, R. K.; Nagarajan, V.] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Liang, W-I; Chu, Y-H] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. [Kumar, A.; Jesse, S.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Chen, Y-C] Natl Cheng Kung Univ, Dept Phys, Tainan 70101, Taiwan. RP Li, JY (reprint author), Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. RI Jesse, Stephen/D-3975-2016; Kalinin, Sergei/I-9096-2012; Ying-Hao, Chu/A-4204-2008; Kumar, Amit/C-9662-2012; Li, Jiangyu/B-3191-2008; valanoor, nagarajan/B-4159-2012; Pan, Kai/B-3668-2015; Vasudevan, Rama/Q-2530-2015 OI Jesse, Stephen/0000-0002-1168-8483; Kalinin, Sergei/0000-0001-5354-6152; Ying-Hao, Chu/0000-0002-3435-9084; Kumar, Amit/0000-0002-1194-5531; Li, Jiangyu/0000-0003-0533-1397; Pan, Kai/0000-0003-4407-3570; Vasudevan, Rama/0000-0003-4692-8579 FU NSFC [10972189, 11102175, 11090331, 10902095]; ARC [DP1096669]; Division of Scientific User Facilities, U.S. Department of Energy; National Science Council, R.O.C. [NSC-100-2119-M-009-003]; NSF [DMR-1006194, CMII-1100339] FX Y.Y.L. acknowledges the support of NSFC (10972189 and 11102175). K. P. acknowledges NSFC (11090331). S. H. X. acknowledges NSFC (10902095). R. K. V. and V.N. acknowledge ARC Discovery Project DP1096669. The research at ORNL (A. K., S.J., S. V. K.) was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. Y.H.C. acknowledges the support of the National Science Council, R.O.C., under Contract No. NSC-100-2119-M-009-003, and J.Y.L. would like to acknowledge the support of NSF (DMR-1006194 and CMII-1100339). NR 59 TC 19 Z9 19 U1 2 U2 71 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2012 VL 4 IS 10 BP 3175 EP 3183 DI 10.1039/c2nr00039c PG 9 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 936QB UT WOS:000303604000029 PM 22517294 ER PT J AU Carlson, TJ Brown, RS Stephenson, JR Pflugrath, BD Colotelo, AH Gingerich, AJ Benjamin, PL Langeslay, MJ Ahmann, ML Johnson, RL Skalski, JR Seaburg, AG Townsend, RL AF Carlson, Thomas J. Brown, Richard S. Stephenson, John R. Pflugrath, Brett D. Colotelo, Alison H. Gingerich, Andrew J. Benjamin, Piper L. Langeslay, Mike J. Ahmann, Martin L. Johnson, Robert L. Skalski, John R. Seaburg, Adam G. Townsend, Richard L. TI The Influence of Tag Presence on the Mortality of Juvenile Chinook Salmon Exposed to Simulated Hydroturbine Passage: Implications for Survival Estimates and Management of Hydroelectric Facilities SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT LA English DT Article ID HYDRO-TURBINE PASSAGE; ACOUSTIC TRANSMITTERS; TELEMETRY TRANSMITTERS; BUOYANCY COMPENSATION; FISH; BEHAVIOR; RADIOTELEMETRY; DECOMPRESSION; IMPLANTATION; PERFORMANCE AB Each year, telemetry tags (acoustic, radio, and passive integrated transponder tags) are surgically implanted into thousands of fish to assess their passage and survival through hydropower facilities. One passage route that is of particular concern is through hydroturbines, where fish may be exposed to a range of potential injuries that include barotraumas from rapid decompression. The change in pressure from acclimation to exposure (nadir) has been identified as an important factor in predicting the likelihood of mortality and injury for juvenile Chinook salmon Oncorhynchus tshawytscha undergoing rapid decompression associated with simulated turbine passage. The presence of telemetry tags has also been shown to influence the likelihood of mortality and injury for juvenile Chinook salmon. We investigated the likelihood of mortality and injury for telemetry-tagged juvenile Chinook salmon that were exposed to a range of pressure changes associated with simulated turbine passage. Several factors were examined as predictors of mortal injury for fish undergoing rapid decompression; of these factors, the log(e) transformed ratio of acclimation pressure : exposure pressure (LRP) and the tag burden (tag mass expressed as a percentage of fish mass) were the most predictive. As the LRP and tag burden increased, the likelihood of mortal injury also increased. Our results suggest that previous estimates of survival for juvenile Chinook salmon passing through hydroturbines were negatively biased due to the presence of telemetry tags, and this has direct implications for the management of hydroelectric facilities. Realistic examples indicate how the bias in turbine passage survival estimates could be 20% or higher depending on the LRP and tag burden. Negative bias would increase as the tag burden and the pressure change ratio increase and therefore has direct implications for survival estimates. We recommend that future hydroturbine survival studies use the smallest telemetry tags possible to minimize the potential bias associated with tag presence. C1 [Carlson, Thomas J.; Brown, Richard S.; Stephenson, John R.; Pflugrath, Brett D.; Colotelo, Alison H.; Gingerich, Andrew J.; Benjamin, Piper L.] Pacific NW Natl Lab, Ecol Grp, Richland, WA 99352 USA. [Langeslay, Mike J.] USA, Corps Engineers, Portland, OR 97208 USA. [Ahmann, Martin L.; Johnson, Robert L.] USA, Corps Engineers, Walla Walla, WA 99362 USA. [Skalski, John R.; Seaburg, Adam G.; Townsend, Richard L.] Univ Washington, Sch Aquat & Fishery Sci, Seattle, WA 98101 USA. RP Brown, RS (reprint author), Pacific NW Natl Lab, Ecol Grp, POB 999,Mail Stop K6-85, Richland, WA 99352 USA. EM rich.brown@pnnl.gov FU USACE Portland District; U.S. Department of Energy [DE-AC05-76RL01830] FX Funding for this study was provided by the USACE Portland District. We thank USACE staff, including Blaine Ebberts, Dan Feil, Brad Eppard, and the USACE Turbine Survival Technical Team, for their commitment, assistance, and oversight. This research required the assistance of many, including Ben Tice (Tice Engineering) and Clayton Grable and the staff of Reimers Systems, who contributed to the design and troubleshooting of the Mobile Aquatic Barotrauma Laboratory; Scott Abernethy, Craig Allwardt, Chris Anderson, Carmina Arimescu, Evan Arntzen, Jim Boyd, Scott Carpenter, Jessica Carter, Kathleen Carter, Kate Deters, Gayle Dirkes, Joanne Duncan, Marybeth Gay, Greg Gaulke, David Geist, Jill Janak, Kasey Knox, Andy LeBarge, Meng Markillie, Garrett McKinny, Craig McKinstry, Bob Mueller, Katie Ovink, Jennifer Panther, Mary Ann Simmons, Marie-Helene Theriault, Jake Tucker, Ricardo Walker, Abby Welch, Ian Welch, and Christa Woodley (all of PNNL); and Andrea Currie (PNNL), who provided editing assistance. The PNNL animal facilities used in this research are certified by the Association for Assessment and Accreditation of Laboratory Animal Care; fish were handled in accordance with federal guidelines for the care and use of laboratory animals, and protocols for our study were approved by the Institutional Animal Care and Use Committee at Battelle-Pacific Northwest Division. The PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 48 TC 11 Z9 11 U1 3 U2 21 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0275-5947 J9 N AM J FISH MANAGE JI North Am. J. Fish Manage. PY 2012 VL 32 IS 2 BP 249 EP 261 DI 10.1080/02755947.2012.661384 PG 13 WC Fisheries SC Fisheries GA 936OY UT WOS:000303601100006 ER PT J AU Bai, XM Uberuaga, BP AF Bai, Xian-Ming Uberuaga, Blas P. TI Multi-timescale investigation of radiation damage near TiO2 rutile grain boundaries SO PHILOSOPHICAL MAGAZINE LA English DT Article DE irradiation effects; atomistic simulation; grain boundaries; defect cluster diffusion; titanium dioxide; multi-time scale modeling ID MOLECULAR-DYNAMICS SIMULATION; STACKING-FAULT TETRAHEDRA; DISPLACEMENT CASCADES; ATOMISTIC SIMULATION; LATTICE DISORDER; SINGLE-CRYSTALS; ION IRRADIATION; IMPLANTED TIO2; BCC METALS; TOLERANCE AB To understand the interactions between defects and grain boundaries (GBs) in oxides, two atomistic modeling methods were used to examine the role of GBs in a model system, rutile TiO2, in modifying radiation-induced defect production and annealing. Molecular dynamics was used to investigate defect production near a symmetric tilt GB at both 300K and 1000 K. The damage production is found to be sensitive to the initial distance of the primary knock-on atom from the GB. We find three distinct regimes in which GBs have different effects. Similar to GBs in metals, the GB absorbs more interstitials than vacancies at certain distances while this behavior of biased loading of interstitials diminishes at other distances. Further, we obtain the statistics of both interstitial and vacancy clusters produced in collision cascades in terms of their compositions at two temperatures. Perfectly stoichiometric defect clusters represent a small fraction of the total clusters produced. Moreover, a significant reduction in the number of interstitial clusters at 1000K compared to 300K is thought to be a consequence of enhanced migration of interstitials towards the GB. Finally, the kinetic properties of certain defect clusters were investigated with temperature accelerated dynamics, without any a priori assumptions of migration mechanisms. Small interstitial clusters become mobile at high temperatures while small vacancy clusters do not. Multiple migration pathways exist and are typically complex and non-intuitive. We use this kinetic information to explain experimental observations and predict their long-time migration behavior near GBs. C1 [Bai, Xian-Ming; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Bai, Xian-Ming] Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA. RP Bai, XM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM xianming.bai@inl.gov RI Bai, Xianming/E-2376-2017 OI Bai, Xianming/0000-0002-4609-6576 FU Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center (EFRC); US Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026, FWP 1356]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; U.S. Department of Energy [DE-AC07-05ID14517] FX This work is sponsored by the Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center (EFRC) funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under award number 2008LANL1026. The analysis of the defect cluster mobility performed by X. M. B. was conducted under his present employment in the Center for Materials Science of Nuclear Fuel (CMSNF) at Idaho National Laboratory, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number FWP 1356. Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. This manuscript has been co-authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. NR 63 TC 16 Z9 16 U1 3 U2 33 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2012 VL 92 IS 12 BP 1469 EP 1498 DI 10.1080/14786435.2011.648229 PG 30 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 936GK UT WOS:000303578700002 ER PT J AU Belova, IV Fiedler, T Kulkarni, N Murch, GE AF Belova, I. V. Fiedler, T. Kulkarni, N. Murch, G. E. TI The Harrison diffusion kinetics regimes in solute grain boundary diffusion SO PHILOSOPHICAL MAGAZINE LA English DT Article DE grain boundary diffusion; Harrison kinetics regimes; solute diffusion; solute segregation ID A KINETICS; TRANSITION; DISLOCATIONS AB Knowledge of the limits of the principal Harrison kinetics regimes (Types A, B and C) for grain boundary diffusion is very important for the correct analysis of depth profiles in a tracer diffusion experiment. These regimes for self-diffusion have been extensively studied in the past by making use of the phenomenological lattice Monte Carlo (LMC) method with the result that the limits are now well established. However, the relationship of these self-diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregation on the limits was investigated with the LMC method for the well-known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type-B kinetics regime may differ from the global segregation factor. C1 [Belova, I. V.; Fiedler, T.; Murch, G. E.] Univ Newcastle, Ctr Mass & Thermal Transport Engn Mat, Callaghan, NSW 2308, Australia. [Kulkarni, N.] Oak Ridge Natl Lab, Microelect Syst Res Grp, Measurement Sci & Syst Engn Div, Oak Ridge, TN 37831 USA. RP Belova, IV (reprint author), Univ Newcastle, Ctr Mass & Thermal Transport Engn Mat, Callaghan, NSW 2308, Australia. EM irina.belova@newcastle.edu.au OI Fiedler, Thomas/0000-0003-0256-8233 FU Australian Research Council; Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DE-AC05-00OR22725]; UT-Battelle, LLC. FX We acknowledge the Australian Research Council for its support of this work. N. Kulkarni gratefully acknowledges the support by the US Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Automotive Lightweight Materials Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 23 TC 4 Z9 4 U1 2 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2012 VL 92 IS 14 BP 1748 EP 1763 DI 10.1080/14786435.2012.657710 PG 16 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 936HB UT WOS:000303580400002 ER PT J AU Hiriyur, B Tuminaro, RS Waisman, H Boman, EG Keyes, DE AF Hiriyur, B. Tuminaro, R. S. Waisman, H. Boman, E. G. Keyes, D. E. TI A QUASI-ALGEBRAIC MULTIGRID APPROACH TO FRACTURE PROBLEMS BASED ON EXTENDED FINITE ELEMENTS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE algebraic multigrid; extended finite elements; iterative methods; fracture ID ENERGY MINIMIZATION INTERPOLATION; SMOOTHED AGGREGATION; AMG AB The modeling of discontinuities arising from fracture of materials poses a number of significant computational challenges. The extended finite element method provides an attractive alternative to standard finite elements in that they do not require fine spatial resolution in the vicinity of discontinuities nor do they require repeated remeshing to properly address propagation of cracks. They do, however, give rise to linear systems requiring special care within an iterative solver method. An algebraic multigrid method is proposed that is suitable for the linear systems associated with modeling fracture via extended finite elements. The new method follows naturally from an energy minimizing algebraic multigrid framework. The key idea is the modification of the prolongator sparsity pattern to prevent interpolation across cracks. This is accomplished by accessing the standard levelset functions used during the discretization process. Numerical experiments illustrate that the resulting method converges in a fashion that is relatively insensitive to mesh resolution and to the number of cracks or their location. C1 [Hiriyur, B.; Waisman, H.; Keyes, D. E.] Columbia Univ, New York, NY 10027 USA. [Tuminaro, R. S.] Sandia Natl Labs, Livermore, CA 94551 USA. [Boman, E. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hiriyur, B (reprint author), Columbia Univ, New York, NY 10027 USA. EM bkh2112@columbia.edu; rstumin@sandia.gov; waisman@civil.columbia.edu; egboman@sandia.gov; kd2112@columbia.edu FU Department of Energy [DE-SC0002137]; DOE ASCR SciDAC ISICLES initiative; U.S. Department of Energy [DE-AC04-94-AL85000] FX This work was supported by the Department of Energy under grant DE-SC0002137 and the DOE ASCR SciDAC ISICLES initiative.; Sandia National Laboratories, Livermore, CA 94551. Sandia is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin, for the U.S. Department of Energy under contract DE-AC04-94-AL85000 (rstumin@sandia.gov). NR 36 TC 6 Z9 6 U1 0 U2 7 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2012 VL 34 IS 2 BP A603 EP A626 DI 10.1137/110819913 PG 24 WC Mathematics, Applied SC Mathematics GA 933WM UT WOS:000303396000003 ER PT J AU Kayaaslan, E Pinar, A Catalyurek, U Aykanat, C AF Kayaaslan, Enver Pinar, Ali Catalyuerek, Uemit Aykanat, Cevdet TI PARTITIONING HYPERGRAPHS IN SCIENTIFIC COMPUTING APPLICATIONS THROUGH VERTEX SEPARATORS ON GRAPHS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE hypergraph partitioning; combinatorial scientific computing; graph partitioning by vertex separator; sparse matrices ID MATRIX-VECTOR MULTIPLICATION; SPARSE RECTANGULAR MATRICES; MODELS; HEURISTICS; TASKS; FORM AB The modeling flexibility provided by hypergraphs has drawn a lot of interest from the combinatorial scientific community, leading to novel models and algorithms, their applications, and development of associated tools. Hypergraphs are now a standard tool in combinatorial scientific computing. The modeling flexibility of hypergraphs, however, comes at a cost: algorithms on hypergraphs are inherently more complicated than those on graphs, which sometimes translates to nontrivial increases in processing times. Neither the modeling flexibility of hypergraphs nor the runtime efficiency of graph algorithms can be overlooked. Therefore, the new research thrust should be how to cleverly trade off between the two. This work addresses one method for this trade-off by solving the hypergraph partitioning problem by finding vertex separators on graphs. Specifically, we investigate how to solve the hypergraph partitioning problem by seeking a vertex separator on its net intersection graph (NIG), where each net of the hypergraph is represented by a vertex, and two vertices share an edge if their nets have a common vertex. We propose a vertex-weighting scheme to attain good node-balanced hypergraphs, since the NIG model cannot preserve node-balancing information. Vertex-removal and vertex-splitting techniques are described to optimize cut-net and connectivity metrics, respectively, under the recursive bipartitioning paradigm. We also developed implementations of our proposed hypergraph partitioning formulations by adopting and modifying a state-of-the-art graph partitioning by vertex separator tool onmetis. Experiments conducted on a large collection of sparse matrices demonstrate the effectiveness of our proposed techniques. C1 [Kayaaslan, Enver; Aykanat, Cevdet] Bilkent Univ, Dept Comp Engn, Ankara, Turkey. [Pinar, Ali] Sandia Natl Labs, Livermore, CA USA. [Catalyuerek, Uemit] Ohio State Univ, Dept Biomed Informat & Elect, Columbus, OH 43210 USA. [Catalyuerek, Uemit] Ohio State Univ, Dept Comp Engn, Columbus, OH 43210 USA. RP Kayaaslan, E (reprint author), Bilkent Univ, Dept Comp Engn, Ankara, Turkey. EM enver@cs.bilkent.edu.tr; apinar@sandia.gov; umit@bmi.osu.edu; aykanat@cs.bilkent.edu.tr OI Catalyurek, Umit/0000-0002-5625-3758 FU United States Department of Energy; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. DOE SciDAC Institute [DE-FC02-06ER2775]; U.S. National Science Foundation [CNS-0643969, OCI-0904809, OCI-0904802] FX Sandia National Laboratories, Livermore, CA (apinar@sandia.gov). The work of this author is 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.; The work of this author is partially supported by the U.S. DOE SciDAC Institute grant DE-FC02-06ER2775 and by the U.S. National Science Foundation under grants CNS-0643969, OCI-0904809, and OCI-0904802. NR 54 TC 5 Z9 5 U1 0 U2 5 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2012 VL 34 IS 2 BP A970 EP A992 DI 10.1137/100810022 PG 23 WC Mathematics, Applied SC Mathematics GA 933WM UT WOS:000303396000017 ER PT J AU Napov, A Notay, Y AF Napov, Artem Notay, Yvan TI AN ALGEBRAIC MULTIGRID METHOD WITH GUARANTEED CONVERGENCE RATE SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE multigrid; algebraic multigrid; iterative methods; preconditioner; convergence analysis; aggregation ID MULTILEVEL PRECONDITIONING METHODS; SMOOTHED AGGREGATION; INTERPOLATION MAPPINGS; ELLIPTIC PROBLEMS; AMGE; EQUATIONS AB We consider the iterative solution of large sparse symmetric positive definite linear systems. We present an algebraic multigrid method which has a guaranteed convergence rate for the class of nonsingular symmetric M-matrices with nonnegative row sum. The coarsening is based on the aggregation of the unknowns. A key ingredient is an algorithm that builds the aggregates while ensuring that the corresponding two-grid convergence rate is bounded by a user-defined parameter. For a sensible choice of this parameter, it is shown that the recursive use of the two-grid procedure yields a convergence independent of the number of levels, provided that one uses a proper AMLI-cycle. On the other hand, the computational cost per iteration step is of optimal order if the mean aggregate size is large enough. This cannot be guaranteed in all cases but is analytically shown to hold for the model Poisson problem. For more general problems, a wide range of experiments suggests that there are no complexity issues and further demonstrates the robustness of the method. The experiments are performed on systems obtained from low order finite difference or finite element discretizations of second order elliptic partial differential equations (PDEs). The set includes two- and three-dimensional problems, with both structured and unstructured grids, some of them with local refinement and/or reentering corner, and possible jumps or anisotropies in the PDE coefficients. C1 [Napov, Artem] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Notay, Yvan] Univ Libre Brussels, Serv Metrol Nucl, B-1050 Brussels, Belgium. RP Napov, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, MS 50A-1148,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM anapov@lbl.gov; ynotay@ulb.ac.be FU Belgian FNRS; Office of Science, Office of Advanced Scientific Computing Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX This author's research was supported by the Belgian FNRS ("Aspirant"). The work on the revised version of the manuscript was supported by Director, Office of Science, Office of Advanced Scientific Computing Research of the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 34 TC 36 Z9 37 U1 0 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2012 VL 34 IS 2 BP A1079 EP A1109 DI 10.1137/100818509 PG 31 WC Mathematics, Applied SC Mathematics GA 933WM UT WOS:000303396000022 ER PT J AU Zhang, QH Johansen, H Colella, P AF Zhang, Qinghai Johansen, Hans Colella, Phillip TI A FOURTH-ORDER ACCURATE FINITE-VOLUME METHOD WITH STRUCTURED ADAPTIVE MESH REFINEMENT FOR SOLVING THE ADVECTION-DIFFUSION EQUATION SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE Poisson's equation; the heat equation; the advection-diffusion equation; adaptive mesh refinement; additive Runge-Kutta method; finite volume; conservation form ID NAVIER-STOKES EQUATIONS; PROJECTION METHODS; POISSONS-EQUATION; HIGH-ORDER AB We present a fourth-order accurate algorithm for solving Poisson's equation, the heat equation, and the advection-diffusion equation on a hierarchy of block-structured, adaptively refined grids. For spatial discretization, finite-volume stencils are derived for the divergence operator and Laplacian operator in the context of structured adaptive mesh refinement and a variety of boundary conditions; the resulting linear system is solved with a multigrid algorithm. For time integration, we couple the elliptic solver to a fourth-order accurate Runge-Kutta method, introduced by Kennedy and Carpenter [Appl. Numer. Math., 44 (2003), pp. 139-181], which enables us to treat the nonstiff advection term explicitly and the stiff diffusion term implicitly. We demonstrate the spatial and temporal accuracy by comparing results with analytical solutions. Because of the general formulation of the approach, the algorithm is easily extensible to more complex physical systems. C1 [Zhang, Qinghai; Johansen, Hans; Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, High Performance Comp Res Dept, Berkeley, CA 94720 USA. [Zhang, Qinghai] Univ Calif Davis, Dept Math, Davis, CA 95616 USA. RP Zhang, QH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, High Performance Comp Res Dept, Berkeley, CA 94720 USA. EM qinghai@math.ucdavis.edu; hjohansen@lbl.gov; colella@hpcrdm.lbl.gov RI Zhang, Qinghai/A-3637-2009 OI Zhang, Qinghai/0000-0002-3655-4190 NR 24 TC 14 Z9 14 U1 0 U2 7 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2012 VL 34 IS 2 BP B179 EP B201 DI 10.1137/110820105 PG 23 WC Mathematics, Applied SC Mathematics GA 933WM UT WOS:000303396000032 ER PT J AU Balaguru, K Chang, P Saravanan, R Jang, CJ AF Balaguru, K. Chang, P. Saravanan, R. Jang, C. J. TI The Barrier Layer of the Atlantic warm pool: Formation mechanism and influence on the mean climate SO TELLUS SERIES A-DYNAMIC METEOROLOGY AND OCEANOGRAPHY LA English DT Article DE barrier layer; upper ocean salinity; temperature inversions; Atlantic climate; Amazon river discharge ID OCEAN-ATMOSPHERE MODEL; TROPICAL ATLANTIC; MIXED-LAYER; EL-NINO; SYSTEM MODEL; PACIFIC; SALINITY; AMAZON; SEA; PRECIPITATION AB Many coupled general circulation models (CGCMs) tend to overestimate the salinity in the Atlantic warm pool or the Northwestern Tropical Atlantic (NWTA) and underestimate the surface salinity in the subtropical salinity maxima region. Most of these models also suffer from a sea-surface temperature (SST) bias in the NWTA region, leading to suggestions that the upper ocean salinity stratification may need to be improved in order to improve the barrier layer (BL) simulations and thus the SST through BL-SST-intertropical convergence zone feedbacks. In the present study, we use a CGCM to perform a set of idealised numerical experiments to test and understand the sensitivity of the BL and consequently SST in the NWTA region to freshwater flux and hence the upper ocean salinity stratification. We find that the BL of the NWTA is sensitive to upper ocean salinity changes in the Amazon river discharge region and the subtropical salinity maxima region. The BL phenomenon is further manifested by the formation of winter temperature inversions in our model simulations, the maximum magnitude of inversions being about 0.2 degrees C. The atmospheric response causes a statistically significant reduction of mean precipitation and SST in the equatorial Atlantic region and helps improve the respective biases by 10-15%. In the region of improved BL simulation, the SST change is positive and in the right direction of bias correction, albeit weak. C1 [Balaguru, K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Balaguru, K.; Chang, P.; Jang, C. J.] Texas A&M Univ, Dept Oceanog, College Stn, TX 77843 USA. [Chang, P.; Saravanan, R.] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX USA. [Jang, C. J.] Korea Ocean Res & Dev Inst, Climate Change & Coastal Disaster Res Dept, Ansan, South Korea. RP Balaguru, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Karthik.Balaguru@pnnl.gov RI Saravanan, Ramalingam/G-8879-2012; Chang, Ping /A-1642-2013 OI Saravanan, Ramalingam/0000-0002-0005-6907; Chang, Ping /0000-0002-9085-0759 NR 42 TC 7 Z9 7 U1 1 U2 19 PU CO-ACTION PUBLISHING PI JARFALLA PA RIPVAGEN 7, JARFALLA, SE-175 64, SWEDEN SN 0280-6495 J9 TELLUS A JI Tellus Ser. A-Dyn. Meteorol. Oceanol. PY 2012 VL 64 AR 18162 DI 10.3402/tellusa.v64i0.18162 PG 17 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 937TQ UT WOS:000303682200001 ER PT J AU Massoudi, M Phuoc, TX AF Massoudi, Mehrdad Phuoc, Tran X. TI Remarks on Constitutive Modeling of Nanofluids SO ADVANCES IN MECHANICAL ENGINEERING LA English DT Article ID THERMAL-CONDUCTIVITY; PARTICLE CONCENTRATION; 2ND-GRADE FLUID; ETHYLENE-GLYCOL; VISCOSITY; NANOPARTICLES; SUSPENSIONS; FLOW; THERMODYNAMICS; GRADE AB We discuss briefly the constitutive modeling of the stress tensor for nanofluids. In particular, we look at the viscosity of nanofluids containing multiwalled carbon nanotubes (MWCNTs) stabilized by cationic chitosan. MWCNTs can be used either to enhance or reduce the fluid base viscosity depending on their weight fractions. By assuming that MWCNT nanofluids behave as generalized second-grade fluid where the viscosity coefficient depends upon the rate of deformation, a theoretical model is developed. A simplified version of this model, similar to the traditional power-law model, is used in this study. It is observed that the theoretical results agree well with the experimental data. C1 [Massoudi, Mehrdad; Phuoc, Tran X.] US DOE, NETL, Pittsburgh, PA 15236 USA. RP Massoudi, M (reprint author), US DOE, NETL, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. EM mehrdad.massoudi@netl.doe.gov FU DOE-NETL FX This work was supported by DOE-NETL under the EPact Complementary program. NR 37 TC 3 Z9 3 U1 1 U2 8 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-8132 J9 ADV MECH ENG JI Adv. Mech. Eng. PY 2012 AR 927580 DI 10.1155/2012/927580 PG 6 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 935OK UT WOS:000303528400001 ER PT J AU Hanson, SK Wu, RL Silks, LA AF Hanson, Susan K. Wu, Ruilian Silks, Louis A. Pete TI C-C or C-O Bond Cleavage in a Phenolic Lignin Model Compound: Selectivity Depends on Vanadium Catalyst SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE cleavage reactions; isotopic labeling; lignin; oxidation; vanadium ID OXIDATIVE CLEAVAGE; AEROBIC OXIDATION; QUINQUEVALENT VANADIUM; ORGANIC COMPOUNDS; DEGRADATION; CHEMICALS; BIOMASS; ACIDS; DEPOLYMERIZATION; HYDROGENOLYSIS C1 [Hanson, Susan K.; Wu, Ruilian; Silks, Louis A. Pete] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Hanson, Susan K.; Wu, Ruilian; Silks, Louis A. Pete] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Hanson, SK (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA. EM skhanson@lanl.gov OI Silks, Pete/0000-0002-2993-5630 FU Los Alamos National Laboratory LDRD [20100160ER] FX This work was supported by Los Alamos National Laboratory LDRD (20100160ER). We would also like to thank the NSF Center for Enabling New Technologies through Catalysis. NR 39 TC 101 Z9 102 U1 20 U2 241 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 14 BP 3410 EP 3413 DI 10.1002/anie.201107020 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 915WX UT WOS:000302059400022 PM 22266711 ER PT J AU Fowler, DA Teat, SJ Baker, GA Atwood, JL AF Fowler, Drew A. Teat, Simon J. Baker, Gary A. Atwood, Jerry L. TI Ionic galleries: a bilayered host-guest cocrystal of C-propyl pyrogallol[4]arene with an ionic liquid SO CHEMICAL COMMUNICATIONS LA English DT Article ID MIMICKING VIRAL GEOMETRY; MOLECULAR CAPSULES; COMPLEXES; INTERCALATION; CYCLODEXTRIN; MEDIA AB We report on a cocrystal between C-propyl pyrogallol[4] arene and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate exhibiting a remarkable bilayer topology comprising two unique host-guest complexes resulting from the ionic liquid cation binding in two distinctive orientations relative to the macrocycle. C1 [Fowler, Drew A.; Baker, Gary A.; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Baker, GA (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM bakergar@missouri.edu; atwoodj@missouri.edu RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 FU NSF; MU FX We thank the NSF (JLA) and MU startup funds (GAB) for support of this work. NR 34 TC 14 Z9 14 U1 3 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 43 BP 5262 EP 5264 DI 10.1039/c2cc31510f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 934KH UT WOS:000303442500007 PM 22531153 ER PT J AU Angel, TE Aryal, UK Hengel, SM Baker, ES Kelly, RT Robinson, EW Smith, RD AF Angel, Thomas E. Aryal, Uma K. Hengel, Shawna M. Baker, Erin S. Kelly, Ryan T. Robinson, Errol W. Smith, Richard D. TI Mass spectrometry-based proteomics: existing capabilities and future directions SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID ION MOBILITY SPECTROMETRY; ELECTROSPRAY-IONIZATION; TOP-DOWN; QUANTITATIVE PROTEOMICS; PLASMA PROTEOME; PROTEINS; IDENTIFICATION; CHROMATOGRAPHY; THROUGHPUT; PEPTIDE AB Mass spectrometry (MS)-based proteomics is emerging as a broadly effective means for identification, characterization, and quantification of proteins that are integral components of the processes essential for life. Characterization of proteins at the proteome and sub-proteome (e. g., the phosphoproteome, proteoglycome, or degradome/peptidome) levels provides a foundation for understanding fundamental aspects of biology. Emerging technologies such as ion mobility separations coupled with MS and microchip-based-proteome measurements combined with MS instrumentation and chromatographic separation techniques, such as nanoscale reversed phase liquid chromatography and capillary electrophoresis, show great promise for both broad undirected and targeted highly sensitive measurements. MS-based proteomics increasingly contribute to our understanding of the dynamics, interactions, and roles that proteins and peptides play, advancing our understanding of biology on a systems wide level for a wide range of applications including investigations of microbial communities, bioremediation, and human health. C1 [Angel, Thomas E.; Aryal, Uma K.; Baker, Erin S.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Hengel, Shawna M.; Kelly, Ryan T.; Robinson, Errol W.] Pacific NW Natl Lab, Environm Mol Sci Lab, 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 Robinson, Errol/I-3148-2012; Smith, Richard/J-3664-2012; Kelly, Ryan/B-2999-2008 OI Robinson, Errol/0000-0003-0696-6239; Smith, Richard/0000-0002-2381-2349; Kelly, Ryan/0000-0002-3339-4443 FU National Center for Research Resources [5P41RR018522-10]; National Institute of General Medical Sciences [8 P41 GM103493-10]; National Cancer Institute from the National Institutes of Health [U24-CA-160019-01]; Pacific Northwest National Laboratory FX Portions of this research were supported by the National Center for Research Resources (5P41RR018522-10), the National Institute of General Medical Sciences (8 P41 GM103493-10), and the National Cancer Institute (U24-CA-160019-01) from the National Institutes of Health and Laboratory Directed Research and Development program at Pacific Northwest National Laboratory. All PNNL proteomics research described was performed in the Environmental Molecular Sciences Laboratory, a U. S. Department of Energy/BER national scientific user facility at Pacific Northwest National Laboratory. NR 92 TC 111 Z9 114 U1 13 U2 143 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2012 VL 41 IS 10 BP 3912 EP 3928 DI 10.1039/c2cs15331a PG 17 WC Chemistry, Multidisciplinary SC Chemistry GA 932WE UT WOS:000303320400015 PM 22498958 ER PT J AU Zhernokletov, MV Kovalev, AE Komissarov, VV Novikov, MG Zocher, MA Cherne, FJ AF Zhernokletov, M. V. Kovalev, A. E. Komissarov, V. V. Novikov, M. G. Zocher, M. A. Cherne, F. J. TI Measurement of the Sound Velocities behind the Shock Wave Front in Tin SO COMBUSTION EXPLOSION AND SHOCK WAVES LA English DT Article DE tin; shock adiabat; sound velocity; indicator liquid; manganin-based gauge; phase transitions; melting ID RAREFACTION WAVE; EQUATIONS; STATE AB Results obtained by two methods for the measurement of the sound velocity in tim samples (initial density of 7.28 g/cm(3) and impurities less than 0.085%) are presented. In the range of pressures from 30 to 150 GPa, the sound velocity is determined by the overtake method with the use of indicator liquids. The luminescence of the indicator liquids is detected by photodiode-based optical gauges. At shock compression pressures of 5-18 GPa, the sound velocity in tin is measured by the counter release method with the use of manganin-based gauges. The experimental data are compared with numerical predictions and results of other authors. The boundaries of the tin melting region on the shock adiabat are found. C1 [Zhernokletov, M. V.; Kovalev, A. E.; Komissarov, V. V.; Novikov, M. G.] Russian Fed Nucl Ctr, Inst Expt Phys VNIIEF, Sarov 607188, Russia. [Zocher, M. A.; Cherne, F. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zhernokletov, MV (reprint author), Russian Fed Nucl Ctr, Inst Expt Phys VNIIEF, Sarov 607188, Russia. EM root@gdd.vniief.ru; zocher@lanl.gov; cherne@lanl.gov OI Cherne, Frank/0000-0002-8589-6058 NR 20 TC 4 Z9 4 U1 0 U2 1 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0010-5082 EI 1573-8345 J9 COMBUST EXPLO SHOCK+ JI Combust. Explos. PD JAN PY 2012 VL 48 IS 1 BP 112 EP 118 DI 10.1134/S0010508212010145 PG 7 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Materials Science, Multidisciplinary SC Thermodynamics; Energy & Fuels; Engineering; Materials Science GA 935UH UT WOS:000303546300014 ER PT J AU Scovazzi, G Carnes, B AF Scovazzi, G. Carnes, B. TI Weak boundary conditions for wave propagation problems in confined domains: Formulation and implementation using a variational multiscale method SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Weak boundary conditions; Wave equation; Stabilized methods; Variational multiscale analysis ID FINITE-ELEMENT-METHOD; LAGRANGIAN SHOCK HYDRODYNAMICS; SHALLOW-WATER EQUATIONS; GALILEAN INVARIANCE; STABILIZED METHODS; APPROXIMATION; FLOWS; COMPUTATIONS; MECHANICS; FRAMEWORK AB We propose a new approach to the enforcement of Dirichlet. Neumann, or Robin boundary conditions in finite element computations of wave propagation problems. The key idea is to enforce the boundary conditions weakly as part of the variational formulation. Due to the hyperbolic structure of the problem considered, the variational formulation does not require any penalty parameters, in contrast with what typically happens in elliptic or advection-diffusion (parabolic) problems. This article presents the implementation of the proposed boundary condition framework using a variational multiscale method for the wave equation in mixed form. We conclude with an extensive set of tests to validate the robustness and accuracy of the proposed approach. Published by Elsevier B.V. C1 [Scovazzi, G.; Carnes, B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Scovazzi, G (reprint author), Sandia Natl Labs, POB 5800,MS 1319, Albuquerque, NM 87185 USA. EM gscovaz@sandia.gov FU DOE NNSA; Computer Science Research Institute at Sandia National Laboratories; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia National Laboratories through Computer Science Research Foundation FX This research was partially funded by the DOE NNSA Advanced Scientific Computing Program and the Computer Science Research Institute at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.; The authors would like to acknowledge and thank for very valuable discussion Professor Santiago Badia and Ramon Codina at Universitat Politecnica de Catalunya (Barcelona). The authors would also like to thank Dr. J.R. Stewart at Sandia National Laboratories, for support during the development of this research work through a Computer Science Research Foundation Grant. NR 65 TC 4 Z9 4 U1 2 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2012 VL 221 BP 117 EP 131 DI 10.1016/j.cma.2012.01.018 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 937YG UT WOS:000303699500008 ER PT J AU Tuncer, E Polizos, G Sauers, I James, DR Ellis, AR More, KL AF Tuncer, Enis Polizos, Georgios Sauers, Isidor James, D. Randy Ellis, Alvin R. More, Karren L. TI Epoxy nanodielectrics fabricated with in situ and ex situ techniques SO JOURNAL OF EXPERIMENTAL NANOSCIENCE LA English DT Article DE nanocomposite; dielectric relaxation; dielectric breakdown; elastic modulus; cryogenic dielectric ID NANOCOMPOSITES; PRECIPITATION; PARTICLES AB In this study, we report fabrication and characterisation of a nanocomposite system composed of a commercial resin and extremely small (several nanometres in diameter) titanium dioxide particles. Nanoparticles were synthesised in situ with particle nucleation occurring inside the resin matrix. In this nanodielectric fabrication method, the nanoparticle precursor was mixed to the resin solution, and the nanoparticles were in situ precipitated. Note that no high shear mixing equipment was needed to improve particle dispersion - nanoparticles were distributed in the polymer matrix uniformly since particle nucleation occurs uniformly throughout the matrix. The properties of in situ nanodielectrics are compared to the unfilled resin and an ex situ nanocomposite. We anticipate that the presented in situ nanocomposite would be employed in high-temperature superconductivity applications. In additions, the improvement shown in the dielectric breakdown indicates that conventional high-voltage components and systems can be reduced in size with novel nanodielectrics. C1 [Tuncer, Enis; Polizos, Georgios; Sauers, Isidor; James, D. Randy; Ellis, Alvin R.] Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. [More, Karren L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Microscopy Grp, Oak Ridge, TN 37831 USA. RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, POB 2008,MS 6122, Oak Ridge, TN 37831 USA. EM tuncere@ornl.gov RI More, Karren/A-8097-2016; OI More, Karren/0000-0001-5223-9097; Tuncer, Enis/0000-0002-9324-4324 FU US Department of Energy Office of Electricity Delivery and Energy Reliability [DE-AC05-00OR22725]; Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX We thank Prof. Steven A. Boggs for valuable suggestion on using lognormal distribution for our breakdown data. This research was sponsored by the US Department of Energy Office of Electricity Delivery and Energy Reliability, Advanced Cables and Conductors Program for Electric Power Systems Contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. Research supported in part by the Oak Ridge National Laboratory's SHaRE User Facility, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 21 TC 1 Z9 1 U1 0 U2 16 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1745-8080 J9 J EXP NANOSCI JI J. Exp. Nanosci. PY 2012 VL 7 IS 3 BP 274 EP 281 DI 10.1080/17458080.2010.520137 PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 936BE UT WOS:000303565100005 ER PT J AU Zhu, T Cloutier, SG Ivanov, I Knappenberger, KL Robel, I Zhang, F AF Zhu, Ting Cloutier, Sylvain G. Ivanov, Ilia Knappenberger, Kenneth L., Jr. Robel, Istvan Zhang, Fan TI Nanocrystals for Electronic and Optoelectronic Applications SO JOURNAL OF NANOMATERIALS LA English DT Editorial Material C1 [Zhu, Ting] Philips Lumileds, San Jose, CA 95131 USA. [Cloutier, Sylvain G.] Univ Delaware, Newark, DE 19716 USA. [Ivanov, Ilia] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Knappenberger, Kenneth L., Jr.] Florida State Univ, Tallahassee, FL 32306 USA. [Robel, Istvan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhang, Fan] Cree Inc, Santa Babara, CA 93117 USA. RP Zhu, T (reprint author), Philips Lumileds, San Jose, CA 95131 USA. EM txz902@gmail.com RI ivanov, ilia/D-3402-2015; OI ivanov, ilia/0000-0002-6726-2502; Cloutier, Sylvain/0000-0003-0092-5241 NR 0 TC 1 Z9 1 U1 0 U2 5 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-4110 J9 J NANOMATER JI J. Nanomater. PY 2012 AR 392742 DI 10.1155/2012/392742 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 938ES UT WOS:000303717300001 ER PT J AU Zou, B Yu, WW Seo, J Zhu, T Hu, MZ AF Zou, Bo Yu, William W. Seo, Jaetae Zhu, Ting Hu, Michael Z. TI Nanocrystals-Related Synthesis, Assembly, and Energy Applications 2012 SO JOURNAL OF NANOMATERIALS LA English DT Editorial Material C1 [Zou, Bo] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. [Yu, William W.] Jilin Univ, Coll Elect Sci & Engn, Changchun 130012, Peoples R China. [Seo, Jaetae] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [Zhu, Ting] Philips Lumileds Lighting Co, San Jose, CA 95131 USA. [Hu, Michael Z.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Zou, B (reprint author), Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. EM zoubo@jlu.edu.cn RI Zou, Bo/C-6926-2008; OI Zou, Bo/0000-0002-3215-1255; Hu, Michael/0000-0001-8461-9684 NR 0 TC 0 Z9 0 U1 0 U2 13 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-4110 J9 J NANOMATER JI J. Nanomater. PY 2012 AR 820439 DI 10.1155/2012/820439 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 938IB UT WOS:000303726100001 ER PT J AU Jackovitz, AM Hanna, TL Quinn, MJ AF Jackovitz, Allison M. Hanna, Theresa L. Quinn, Michael J., Jr. TI RELATIVE SENSITIVITIES OF JAPANESE QUAIL TO FOREIGN RED BLOOD CELL CHALLENGES FOR IMMUNOTOXICITY TESTING SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES LA English DT Article ID NORTHERN BOBWHITE; GROWTH AB Given evidence that the immune system is sensitive to environmental contaminants, evaluating immunocompetence in toxicology studies is increasingly important. By incorporating a test of humoral response into controlled reproductive and developmental studies, more comprehensive results can be gathered to assess the potential for disease. The foreign red blood cells (RBC) challenge is a minimally invasive method for evaluating humoral responses to a foreign antigen. Typically, antibody response is assessed following injections of sheep erythrocytes; however, Japanese quail (Coturnix japonica) are only minimally sensitive to sheep RBC. In the present study, adult Japanese quail were treated with 5% solutions of RBC from goose, goat, cow, donkey, or pig in primary and secondary challenges. After each treatment, plasma samples were taken and antibody responses were measured for total immunoglobulins (Ig), IgG, and IgM. Overall, goose RBC generated the poorest responses in both primary and secondary challenges, while the strongest antibody responses were to pig and donkey RBC. Therefore, pig RBC appear to be a superior antigen for testing humoral response in Japanese quail. C1 [Hanna, Theresa L.; Quinn, Michael J., Jr.] USA, Inst Publ Hlth, Publ Hlth Command, Hlth Effects Res Program, Aberdeen Proving Ground, MD 21222 USA. [Jackovitz, Allison M.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Jackovitz, AM (reprint author), USA, Inst Publ Hlth, Publ Hlth Command, Hlth Effects Res Program, 5158 Blackhawk Rd, Aberdeen Proving Ground, MD 21222 USA. EM allison.m.jackovitz.ctr@us.army.mil FU U.S. Environmental protection Agency Office of Prevention Pesticides and Toxic Substances [DW-21-92355001-1] FX We thank Valerie H. Adams for her thorough review. This study was funded by the U.S. Environmental protection Agency Office of Prevention Pesticides and Toxic Substances through interagency agreement DW-21-92355001-1. NR 12 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1528-7394 J9 J TOXICOL ENV HEAL A JI J. Toxicol. Env. Health Part A PY 2012 VL 75 IS 6 BP 319 EP 323 DI 10.1080/15287394.2012.668163 PG 5 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 936MF UT WOS:000303593800001 PM 22480169 ER PT J AU DeAngelis, KM Fortney, JL Borglin, S Silver, WL Simmons, BA Hazen, TC AF DeAngelis, Kristen M. Fortney, Julian L. Borglin, Sharon Silver, Whendee L. Simmons, Blake A. Hazen, Terry C. TI Anaerobic Decomposition of Switchgrass by Tropical Soil-Derived Feedstock-Adapted Consortia SO MBIO LA English DT Article ID MICROBIAL COMMUNITY STRUCTURE; DISSIMILATORY NITRATE REDUCTION; RICE PADDY SOIL; FOREST SOILS; BIOGEOCHEMICAL PROCESSES; METHANOGENIC BACTERIA; CELLULOSE DEGRADATION; SP-NOV; IRON; MICROORGANISMS AB Tropical forest soils decompose litter rapidly with frequent episodes of anoxic conditions, making it likely that bacteria using alternate terminal electron acceptors (TEAs) play a large role in decomposition. This makes these soils useful templates for improving biofuel production. To investigate how TEAs affect decomposition, we cultivated feedstock-adapted consortia (FACs) derived from two tropical forest soils collected from the ends of a rainfall gradient: organic matter-rich tropical cloud forest (CF) soils, which experience sustained low redox, and iron-rich tropical rain forest (RF) soils, which experience rapidly fluctuating redox. Communities were anaerobically passed through three transfers of 10 weeks each with switchgrass as a sole carbon (C) source; FACs were then amended with nitrate, sulfate, or iron oxide. C mineralization and cellulase activities were higher in CF-FACs than in RF-FACs. Pyrosequencing of the small-subunit rRNA revealed members of the Firmicutes, Bacteroidetes, and Alphaproteobacteria as dominant. RF- and CF-FAC communities were not different in microbial diversity or biomass. The RF-FACs, derived from fluctuating redox soils, were the most responsive to the addition of TEAs, while the CF-FACs were overall more efficient and productive, both on a per-gram switchgrass and a per-cell biomass basis. These results suggest that decomposing microbial communities in fluctuating redox environments are adapted to the presence of a diversity of TEAs and ready to take advantage of them. More importantly, these data highlight the role of local environmental conditions in shaping microbial community function that may be separate from phylogenetic structure. IMPORTANCE After multiple transfers, we established microbial consortia derived from two tropical forest soils with different native redox conditions. Communities derived from the rapidly fluctuating redox environment maintained a capacity to use added terminal electron acceptors (TEAs) after multiple transfers, though they were not present during the enrichment. Communities derived from lower-redox soils were not responsive to TEA addition but were much more efficient at switchgrass decomposition. Though the communities were different, diversity was not, and both were dominated by many of the same species of clostridia. This reflects the inadequacy of rRNA for determining the function of microbial communities, in this case the retained ability to utilize TEAs that were not part of the selective growth conditions. More importantly, this suggests that microbial community function is shaped by life history, where environmental factors produce heritable traits through natural selection over time, creating variation in the community, a phenomenon not well documented for microbes. C1 [DeAngelis, Kristen M.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. [DeAngelis, Kristen M.; Simmons, Blake A.; Hazen, Terry C.] Joint BioEnergy Inst, Microbial Communities Grp, Emeryville, CA USA. [Fortney, Julian L.; Borglin, Sharon; Silver, Whendee L.; Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [Silver, Whendee L.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Simmons, Blake A.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. [Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. [Hazen, Terry C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP DeAngelis, KM (reprint author), Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. EM kristen@post.harvard.edu RI Silver, Whendee/H-1118-2012; Borglin, Sharon/I-1013-2016; Hazen, Terry/C-1076-2012; OI Hazen, Terry/0000-0002-2536-9993; DeAngelis, Kristen/0000-0002-5585-4551 FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF [DEB-0620910]; International Institute of Tropical Forestry (IITF) as part of the Luquillo LTER FX This work was conducted by the Joint BioEnergy Institute and was supported by the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The research was also partially supported by DEB-0620910 from NSF to the Institute of Tropical Ecosystem Studies, University of Puerto Rico, and the International Institute of Tropical Forestry (IITF) as part of the Luquillo LTER program. NR 69 TC 3 Z9 3 U1 5 U2 42 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD JAN-FEB PY 2012 VL 3 IS 1 AR e00249-11 DI 10.1128/mBio.00249-11 PG 9 WC Microbiology SC Microbiology GA 933AK UT WOS:000303331400024 ER PT S AU Bollinger, AT Eckstein, JN Dubuis, G Pavuna, D Bozovic, I AF Bollinger, A. T. Eckstein, J. N. Dubuis, G. Pavuna, D. Bozovic, I. BE Teherani, FH Look, DC Rogers, DJ TI Atomic-Layer Engineering of Oxide Superconductors SO OXIDE-BASED MATERIALS AND DEVICES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Oxide-Based Materials and Devices III CY JAN 22-25, 2012 CL San Francisco, CA SP SPIE DE superconductivity; cuprates; interface; superlattice; field effect ID HIGH-TEMPERATURE SUPERCONDUCTOR; BILAYER STRUCTURES; INTERFACE SUPERCONDUCTIVITY; TUNNEL-JUNCTIONS; PHASE COHERENCE; COPPER OXIDES; HIGH T(C); LA2-XSRXCUO4; MULTILAYERS; ELECTRONICS AB Molecular beam epitaxy technique has enabled synthesis of atomically smooth thin films, multilayers, and superlattices of cuprates and other complex oxides. Such heterostructures show high temperature superconductivity and enable novel experiments that probe the basic physics of this phenomenon. For example, it was established that high temperature superconductivity and anti-ferromagnetic phases separate on Angstrom scale, while the pseudo-gap state apparently mixes with high temperature superconductivity over an anomalously large length scale (the "Giant Proximity Effect"). We review some recent experiments on such films and superlattices, including X-ray diffraction, atomic force microscopy, angle-resolved time of flight ion scattering and recoil spectroscopy, transport measurements, high-resolution transmission electron microscopy, resonant X-ray scattering, low-energy muon spin resonance, and ultrafast photo-induced reflection high energy electron diffraction. The results include an unambiguous demonstration of strong coupling of in-plane charge excitations to out-of-plane lattice vibrations, a discovery of interface high temperature superconductivity that occurs in a single CuO2 plane, evidence for local pairs, and establishing tight limits on the temperature range of superconducting fluctuations. C1 [Bollinger, A. T.; Dubuis, G.; Bozovic, I.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Bollinger, AT (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Dubuis, Guy/A-6849-2012 OI Dubuis, Guy/0000-0002-8199-4953 NR 39 TC 0 Z9 0 U1 3 U2 20 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8906-7 J9 PROC SPIE PY 2012 VL 8263 AR 82631C DI 10.1117/12.914062 PG 19 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BZY52 UT WOS:000303381200031 ER PT S AU Lee, SH Xu, J AF Lee, Sang Hyun Xu, Jun BE Teherani, FH Look, DC Rogers, DJ TI Morphological effects on optical and electrical properties of ZnO nanostructures SO OXIDE-BASED MATERIALS AND DEVICES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Oxide-Based Materials and Devices III CY JAN 22-25, 2012 CL San Francisco, CA SP SPIE DE morphology; ZnO; nanocone; solar cells; light confinement; charge transport AB Morphology control of semiconductor nanostructures is of great interest in recent years owing to their unique capabilities in achieving desired chemical and physical properties as well as enabling great potential in electronic and optoelectronic applications. In this paper, we review our recent study on morphological control of ZnO nanocones and how the optical and electrical properties of such nanostructure-based photovoltaic solar cells are affected. The nanocone shape is obtained by altering the ratio of oxygen to argon gas during thermal chemical vapor deposition. The nanocones grown on Si substrates show antireflective properties in a broad spectral range. We further found that incident light was confined in the nanocones, which enhances the antireflective properties through multi-reflection/absorption. The performance dependency of a ZnO-CdTe solar cell on the morphology of ZnO was explored by introducing the nanocones. Small junction area and strong electric field at the tip of nanocones contribute to effective charge transport across the heterojunction, resulting in improved the conversion efficiency of solar cells. C1 [Lee, Sang Hyun; Xu, Jun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Lee, SH (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM lees3@ornl.gov; xuj2@ornl.gov NR 17 TC 0 Z9 0 U1 0 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8906-7 J9 PROC SPIE PY 2012 VL 8263 AR 82631H DI 10.1117/12.910950 PG 7 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BZY52 UT WOS:000303381200033 ER PT S AU Schleife, A Bechstedt, F AF Schleife, Andre Bechstedt, Friedhelm BE Teherani, FH Look, DC Rogers, DJ TI Real-structure effects: Absorption edge of MgxZn1-xO, CdxZn1-xO, and n-type ZnO from ab-initio calculations SO OXIDE-BASED MATERIALS AND DEVICES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Oxide-Based Materials and Devices III CY JAN 22-25, 2012 CL San Francisco, CA SP SPIE DE real-structure effects; ab initio electronic structure methods; fundamental band gaps; optical absorption; alloy; degenerate electron gas ID TRANSPARENT CONDUCTING OXIDES; THIN-FILMS; BAND-GAP; SEMICONDUCTORS; ALLOYS; CDO; MGO AB The continuously increasing power of modern supercomputers renders the application of more and more accurate parameter-free models to systems of increasing complexity feasible. Consequently, it becomes possible to even treat different real-structure effects such as alloying or n-doping in systems like the technologically important transparent conducting oxides. In this paper we outline how we previously used a combination of quasiparticle calculations and a cluster expansion scheme to calculate the fundamental band gap of MgxZn1-xO and CdxZn1-xO alloys. We discuss the results in comparison to values for In2O3, SnO2, SnO, and SiO2. In addition, we discuss our extension of the Bethe-Salpeter approach that has been used to study the interplay of excitonic effects and doping in n-type ZnO. The dependence of the Burstein-Moss shift on the free-carrier concentration is analyzed. C1 [Schleife, Andre] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP Schleife, A (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. EM a.schleife@llnl.gov; bech@ifto.physik.uni-jena.de NR 48 TC 3 Z9 3 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8906-7 J9 PROC SPIE PY 2012 VL 8263 AR 826309 DI 10.1117/12.910840 PG 6 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BZY52 UT WOS:000303381200006 ER PT J AU Schmidt, RD Case, ED Ni, JE Sakamoto, JS Trejo, RM Lara-Curzio, E Payzant, EA Kirkham, MJ Peascoe-Meisner, RA AF Schmidt, Robert D. Case, Eldon D. Ni, Jennifer E. Sakamoto, Jeffrey S. Trejo, Rosa M. Lara-Curzio, Edgar Payzant, E. Andrew Kirkham, Melanie J. Peascoe-Meisner, Roberta A. TI The temperature dependence of thermal expansion for p-type Ce0.9Fe3.5Co0.5Sb12 and n-type Co0.95Pd0.05Te0.05Sb3 skutterudite thermoelectric materials SO PHILOSOPHICAL MAGAZINE LA English DT Article DE thermal expansion; X-ray diffraction; inclusion; thermoelectric; skutterudite ID SURFACE-LIMITED MICROCRACKS; EFFECTIVE YOUNGS MODULUS; FILLED SKUTTERUDITES; GRAIN-SIZE; MECHANICAL-PROPERTIES; BRITTLE MATERIALS; SOLID-SOLUTIONS; CERAMICS; BEHAVIOR; WET AB During waste heat recovery applications, thermoelectric (TE) materials experience thermal gradients and thermal transients, which produce stresses that scale with the TE material's coefficient of thermal expansion (CTE). Thus, the temperature-dependent CTE is an important parameter for the design of mechanically robust TE generators. For three skutterudite thermoelectric compositions, n-type Co0.95Pd0.05Te0.05Sb3 (with and without 0.1 at. % cerium doping) and p-type Ce0.9Fe3.5Co0.5Sb12, the CTE was measured using two methods, i.e. X-ray diffraction on powder and bulk specimens and dilatometry on bulk specimens. Each bulk specimen was hot pressed using powders milled from cast ingots. Between 300 K and 600 K, the mean CTE values were 9.8-10.3 x 10(-6) K-1 for the non-cerium-doped n-type, 11.6 x 10(-6) K-1 for the 0.1 at. % cerium-doped n-type and from 12.7 to 13.3 x 10(-6) K-1 for the p-type. In the literature, similar CTE values are reported for other Sb-based skutterudites. For temperatures >600 K, an unrecovered dilatational strain (perhaps due to bloating) was observed, which may impact applications. Also, the submicron particle sizes generated by wet milling were pyrophoric; thus, during both processing and characterization, exposure of the powders to oxygen should be limited. C1 [Schmidt, Robert D.; Case, Eldon D.; Ni, Jennifer E.; Sakamoto, Jeffrey S.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Trejo, Rosa M.; Lara-Curzio, Edgar; Payzant, E. Andrew; Kirkham, Melanie J.] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. [Peascoe-Meisner, Roberta A.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Case, ED (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM casee@egr.msu.edu RI Payzant, Edward/B-5449-2009; Kirkham, Melanie/B-6147-2011; Schmidt, Robert/I-8072-2016 OI Payzant, Edward/0000-0002-3447-2060; Kirkham, Melanie/0000-0001-8411-9751; Schmidt, Robert/0000-0002-8838-8999 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001054]; US Department of Energy [DE-FC26-04NT42281]; US Department of Energy, Office of Energy Efficiency and Renewable Energy FX Work performed after September 2010, a part of the "Revolutionary Materials for Solid State Energy Conversion Center," an Energy Frontiers Research Center, was funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under award number DE-SC0001054. Research prior to August 2010 was supported by via US Department of Energy Grant DE-FC26-04NT42281. CTE and XRD measurements were conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 96 TC 7 Z9 7 U1 0 U2 27 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2012 VL 92 IS 10 BP 1261 EP 1286 DI 10.1080/14786435.2011.644815 PG 26 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 936FX UT WOS:000303577400006 ER PT J AU Rajbanshi, A Custelcean, R AF Rajbanshi, Arbin Custelcean, Radu TI Structure and selectivity trends in crystalline urea-functionalised anion-binding capsules SO SUPRAMOLECULAR CHEMISTRY LA English DT Article; Proceedings Paper CT 6th International Symposium of Macrocyclic and Supramolecular Chemistry (ISMSC) CY JUL 03-07, 2011 CL Brighton, ENGLAND DE anion recognition; crystal engineering; hydrogen bonding; self-assembled capsules ID METAL-ORGANIC FRAMEWORKS; SULFATE SEPARATION; COORDINATION; CAVITIES AB A tripodal trisurea receptor (L1) persistently self-assembles with various divalent oxoanion salts MnX (M = Na, K, Mg, Ca, Cd; X = SO42-, SO32-, SeO42-), CrO42-) into isomorphous series of crystalline frameworks in three different compositions: MX(L1)(2)(H2O)(6) (M = Mg, Ca, Cd) (1), Na2X(L1)(2)(H2O)(4) (2) and K2X(L-1)(2)(H2O)(2) (3). Single-crystal X-ray structural analysis revealed that all three series of structures adopt a NaCl-type topology, consisting of alternating anionic X(L1)(2)(2-) capsules and M(H2O)(6)(2+), Na-2(H2O)(4)(2+) or K-2(H2O)(2)(2+) hydrated cations. The capsules provide a complementary environment to tetrahedral oxoanions via 12 hydrogen bonds from six urea groups lining the cavities of the capsules. The persistent formation of the capsules facilitated the investigation of structural trends and structure-selectivity relationships across series 1-3. First, it was found that the size of the capsules is relatively unresponsive to the change in the encapsulated anion, resulting in good shape and size recognition in the separation of anions by competitive crystallisations. Second, it was found that the size of the capsules varies linearly with the size of the external cation, which provides a way for tuning the anion encapsulation selectivity. However, no straightforward dependence was found between the size of the capsules and the relative selectivity for different-sized tetrahedral oxoanions in competitive crystallisations. C1 [Rajbanshi, Arbin; Custelcean, Radu] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Custelcean, Radu/C-1037-2009 OI Custelcean, Radu/0000-0002-0727-7972 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy FX This research was sponsored by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. NR 32 TC 7 Z9 7 U1 0 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1061-0278 EI 1029-0478 J9 SUPRAMOL CHEM JI Supramol. Chem. PY 2012 VL 24 IS 1 BP 65 EP 71 DI 10.1080/10610278.2011.622387 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 936CU UT WOS:000303569300009 ER PT J AU Bill, NL Kim, DS Kim, SK Park, JS Lynch, VM Young, NJ Hay, BP Yang, YJ Anslyn, EV Sessler, JL AF Bill, Nathan L. Kim, Dae-Sik Kim, Sung Kuk Park, Jung Su Lynch, Vincent M. Young, Neil J. Hay, Benjamin P. Yang, Youjun Anslyn, Eric V. Sessler, Jonathan L. TI Oxoanion recognition by benzene-based tripodal pyrrolic receptors SO SUPRAMOLECULAR CHEMISTRY LA English DT Article; Proceedings Paper CT 6th International Symposium of Macrocyclic and Supramolecular Chemistry (ISMSC) CY JUL 03-07, 2011 CL Brighton, ENGLAND DE anion receptors; dihydrogen phosphate; hydrogen sulphate; X-ray structure; theoretical calculations ID CHIRAL MOLECULAR RECOGNITION; SULFATE-BINDING PROTEIN; ANION RECOGNITION; ARTIFICIAL RECEPTORS; SYNTHETIC RECEPTORS; HYDROGEN-BONDS; SENSORS; DERIVATIVES; HIGHLIGHTS; CHEMISTRY AB Two new tripodal receptors based on pyrrole-and dipyrromethane-functionalised derivatives of a sterically geared precursor, 1,3,5-tris(aminomethyl)-2,4,6-triethylbenzene, are reported; these systems, compounds 1 and 2, display high affinity and selectivity for tetrahedral anionic guests, in particular dihydrogen phosphate, pyrophosphate and hydrogen sulphate, in acetonitrile as inferred from isothermal titration calorimetry measurements. Support for the anion-binding ability of these systems comes from theoretical calculations and a single-crystal X-ray diffraction structure of the 2:2 (host:guest) dihydrogen phosphate complex is obtained in the case of the pyrrole-based receptor system, 1. C1 [Bill, Nathan L.; Kim, Dae-Sik; Kim, Sung Kuk; Park, Jung Su; Lynch, Vincent M.; Yang, Youjun; Anslyn, Eric V.; Sessler, Jonathan L.] Univ Texas Austin, Dept Chem & Biochem, Inst Cellular & Mol Biol, Austin, TX 78712 USA. [Sessler, Jonathan L.] Yonsei Univ, Dept Chem, Seoul 120749, South Korea. [Young, Neil J.; Hay, Benjamin P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Sessler, JL (reprint author), Univ Texas Austin, Dept Chem & Biochem, Inst Cellular & Mol Biol, Austin, TX 78712 USA. EM sessler@mail.utexas.edu OI Bill, Nathan/0000-0001-9432-3182 FU U.S. Department of Energy (DOE) [DE-FG02-01ER15186]; Korea Research Foundation by the Korean Government (MOEHRD) [KRF-2007-357-C00061]; National Science Foundation [0741973]; Robert A. Welch Foundation [F-1018]; Korean WCU [R32-2010-000-10217-0]; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. DOE at Oak Ridge National Laboratory FX This work was supported by the U.S. Department of Energy (DOE) (grant no. DE-FG02-01ER15186 to J.L.S), a Korea Research Foundation Grant provided by the Korean Government (MOEHRD; KRF-2007-357-C00061 to D.-S.K.), the National Science Foundation (grant no. 0741973 for the X-ray diffractometer), the Robert A. Welch Foundation (grant no. F-1018 to J.L.S.) and the Korean WCU programme (grant no. R32-2010-000-10217-0). BPH and NJY acknowledge support from the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. DOE at Oak Ridge National Laboratory. NR 47 TC 8 Z9 8 U1 3 U2 29 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1061-0278 EI 1029-0478 J9 SUPRAMOL CHEM JI Supramol. Chem. PY 2012 VL 24 IS 1 BP 72 EP 76 DI 10.1080/10610278.2011.622392 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 936CU UT WOS:000303569300010 ER PT J AU Velarde, MC Flynn, JM Day, NU Melov, S Campisi, J AF Velarde, Michael C. Flynn, James M. Day, Nicholas U. Melov, Simon Campisi, Judith TI Mitochondrial oxidative stress caused by Sod2 deficiency promotes cellular senescence and aging phenotypes in the skin SO AGING-US LA English DT Article DE DNA damage; epidermal differentiation; knock-out mouse model; reactive oxygen species (ROS); superoxide ID DNA-DAMAGE RESPONSE; HUMAN EPIDERMAL-KERATINOCYTES; ONCOGENE-INDUCED SENESCENCE; SUPEROXIDE-DISMUTASE; HUMAN-CELLS; IN-VITRO; TRIGGERS SENESCENCE; HUMAN FIBROBLASTS; FREE-RADICALS; MUTANT MICE AB Cellular senescence arrests the proliferation of mammalian cells at risk for neoplastic transformation, and is also associated with aging. However, the factors that cause cellular senescence during aging are unclear. Excessive reactive oxygen species (ROS) have been shown to cause cellular senescence in culture, and accumulated molecular damage due to mitochondrial ROS has long been thought to drive aging phenotypes in vivo. Here, we test the hypothesis that mitochondrial oxidative stress can promote cellular senescence in vivo and contribute to aging phenotypes in vivo, specifically in the skin. We show that the number of senescent cells, as well as impaired mitochondrial (complex II) activity increase in naturally aged mouse skin. Using a mouse model of genetic Sod2 deficiency, we show that failure to express this important mitochondrial anti-oxidant enzyme also impairs mitochondrial complex II activity, causes nuclear DNA damage, and induces cellular senescence but not apoptosis in the epidermis. Sod2 deficiency also reduced the number of cells and thickness of the epidermis, while increasing terminal differentiation. Our results support the idea that mitochondrial oxidative stress and cellular senescence contribute to aging skin phenotypes in vivo. C1 [Velarde, Michael C.; Flynn, James M.; Day, Nicholas U.; Melov, Simon; Campisi, Judith] Buck Inst Res Aging, Novato, CA 94945 USA. [Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Campisi, J (reprint author), Buck Inst Res Aging, Novato, CA 94945 USA. EM jcampisi@lbl.gov FU National Institutes of Health, National Institute on Aging [P01-AG025901, T32-AG000266] FX We thank Pierre-Yves Desprez for critically reading the manuscript, Marco Demaria for providing normal primary MEFs, and Hannah Tierney for help in organizing figures. This work was funded by research (P01-AG025901) and training (T32-AG000266) grants from the National Institutes of Health, National Institute on Aging. The authors declare no competing interests. NR 68 TC 74 Z9 83 U1 2 U2 18 PU IMPACT JOURNALS LLC PI ALBANY PA 6211 TIPTON HOUSE, STE 6, ALBANY, NY 12203 USA SN 1945-4589 J9 AGING-US JI Aging-US PD JAN PY 2012 VL 4 IS 1 BP 3 EP 12 PG 10 WC Cell Biology SC Cell Biology GA 931SM UT WOS:000303239600003 PM 22278880 ER PT J AU Hudak, JE Barfield, RM de Hart, GW Grob, P Nogales, E Bertozzi, CR Rabuka, D AF Hudak, Jason E. Barfield, Robyn M. de Hart, Gregory W. Grob, Patricia Nogales, Eva Bertozzi, Carolyn R. Rabuka, David TI Synthesis of Heterobifunctional Protein Fusions Using Copper-Free Click Chemistry and the Aldehyde Tag SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE antibodies; bioorganic chemistry; click chemistry; oximes; proteins ID RECOMBINANT PROTEINS; CANCER-THERAPY; ANTIBODY; CONJUGATION; CHALLENGES; ENZYME; CYCLOADDITIONS; GENERATION; MECHANISM; GLYCANS C1 [Hudak, Jason E.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Barfield, Robyn M.; de Hart, Gregory W.; Rabuka, David] Redwood Biosci Inc, Emeryville, CA 94608 USA. [Grob, Patricia; Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mol & Cell Biol, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Bertozzi, CR (reprint author), Univ Calif Berkeley, Dept Chem, Howard Hughes Med Inst, Berkeley, CA 94720 USA. EM crb@berkeley.edu; drabuka@redwoodbioscience.com FU NIH [1RC1EB010344-01, GM59907]; NSF FX We thank Prof. Zev Gartner, Ellen Sletten, Brian Belardi, and Brian Carlson for materials, discussion, and manuscript critique. This work was funded by grants from the NIH to D.R. (1RC1EB010344-01) and C.R.B. (GM59907). J.E.H. was supported by an NSF predoctoral fellowship. NR 56 TC 77 Z9 78 U1 2 U2 77 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 17 BP 4161 EP 4165 DI 10.1002/anie.201108130 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 928RN UT WOS:000303001000032 PM 22407566 ER PT J AU Xiao, LH Wei, L Liu, C He, Y Yeung, ES AF Xiao, Lehui Wei, Lin Liu, Chang He, Yan Yeung, Edward S. TI Unsynchronized Translational and Rotational Diffusion of Nanocargo on a Living Cell Membrane SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE gold nanorods; nanocargos; orientational imaging; plasmonic nanoparticles; single-nanoparticle tracking ID ORIENTATION SENSORS; GOLD NANOPARTICLES; MICROSCOPY; NANORODS; DELIVERY; TRACKING C1 [Xiao, Lehui; Liu, Chang; Yeung, Edward S.] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. [Xiao, Lehui; Wei, Lin; He, Yan; Yeung, Edward S.] Hunan Univ, State Key Lab Chemo Biosensing & Chemometr, Coll Chem & Chem Engn, Coll Biol, Changsha 410082, Hunan, Peoples R China. RP Yeung, ES (reprint author), Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. EM yeung@ameslab.gov RI Liu, Chang/F-5472-2011; OI Liu, Chang/0000-0003-0508-4357 FU Iowa State University [DE-AC02-07CH11358]; Director of Science, Office of Basic Energy Science, Division of Chemical Sciences; University of British Columbia, Canada FX The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was supported by the Director of Science, Office of Basic Energy Science, Division of Chemical Sciences. C.L. was partially supported by the University of British Columbia, Canada. We thank Dr. Ning Fang for providing the dual-view module and the CCD camera. NR 17 TC 27 Z9 28 U1 2 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2012 VL 51 IS 17 BP 4181 EP 4184 DI 10.1002/anie.201108647 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 928RN UT WOS:000303001000036 PM 22431379 ER PT J AU Tian, YM Busani, T Uyeda, GH Martin, KE van Swol, F Medforth, CJ Montano, GA Shelnutt, JA AF Tian, Yongming Busani, Tito Uyeda, Gregory H. Martin, Kathleen E. van Swol, Frank Medforth, Craig J. Montano, Gabriel A. Shelnutt, John A. TI Hierarchical cooperative binary ionic porphyrin nanocomposites SO CHEMICAL COMMUNICATIONS LA English DT Article ID CARBON-DIOXIDE; REDUCTION AB Cooperative binary ionic (CBI) solids comprise a versatile new class of opto-electronic and catalytic materials consisting of ionically self-assembled pairs of organic anions and cations. Herein, we report CBI nanocomposites formed by growing nanoparticles of one type of porphyrin CBI solid onto a second porphyrin CBI substructure with complementary functionality. C1 [Tian, Yongming; Martin, Kathleen E.; van Swol, Frank; Shelnutt, John A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Tian, Yongming] New Mexico Inst Min & Technol, Dept Mat Engn, Socorro, NM 87801 USA. [Busani, Tito] Univ Nova Lisboa, CENIMAT I3N, Dept Ciencia Mat, Fac Ciencias & Tecnol, P-2829516 Caparica, Portugal. [Busani, Tito] CEMOP UNINOVA, P-2829516 Caparica, Portugal. [Busani, Tito; Martin, Kathleen E.; van Swol, Frank; Medforth, Craig J.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA. [Busani, Tito; Martin, Kathleen E.; van Swol, Frank; Medforth, Craig J.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Busani, Tito; Martin, Kathleen E.; van Swol, Frank; Medforth, Craig J.] Univ New Mexico, Dept Biol, Albuquerque, NM 87106 USA. [Uyeda, Gregory H.; Montano, Gabriel A.] Los Alamos Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Medforth, Craig J.] Univ Porto, Fac Ciencias, REQUIMTE Dept Quim & Bioquim, P-4169007 Oporto, Portugal. [Shelnutt, John A.] Univ Georgia, Dept Chem, Athens, GA 30602 USA. RP Shelnutt, JA (reprint author), Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. EM jasheln4@gmail.com RI Medforth, Craig/D-8210-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013; REQUIMTE, FMN/M-5611-2013; REQUIMTE, UCIBIO/N-9846-2013; Tian, Yongming/B-9720-2009 OI Medforth, Craig/0000-0003-3046-4909; FU United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering.; Fundacao para a Ciencia e a Tecnologia, Portugal; Marie Curie Action Cofund; U.S. Department of Energy [DE-AC52-06NA25396]; United States Department of Energy's National Nuclear Security Administration [DEAC04-94AL85000] FX Research supported by the United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. CJM is the recipient of a Marie Curie Fellowship from the Fundacao para a Ciencia e a Tecnologia, Portugal and the Marie Curie Action Cofund. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DEAC04-94AL85000. NR 13 TC 14 Z9 14 U1 0 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 40 BP 4863 EP 4865 DI 10.1039/c2cc30845b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 930GL UT WOS:000303125600021 PM 22497007 ER PT J AU Miller, GH Trebotich, D AF Miller, Gregory H. Trebotich, David TI AN EMBEDDED BOUNDARY METHOD FOR THE NAVIER-STOKES EQUATIONS ON A TIME-DEPENDENT DOMAIN SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE LA English DT Article DE Navier-Stokes; embedded boundary; finite volume; moving domain ID HYPERBOLIC CONSERVATION-LAWS; CARTESIAN GRID METHOD; INCOMPRESSIBLE VISCOUS FLOWS; IMMERSED INTERFACE METHOD; PROJECTION METHOD; MOVING BOUNDARIES; HEAT-EQUATION; 2ND-ORDER; FLUID AB We present a new conservative Cartesian grid embedded boundary method for the solution of the incompressible Navier-Stokes equations in a time-dependent domain. It is a Godunov-projection fractional step scheme in which hyperbolic advection and a variety of implicit and explicit Helmholtz operations are performed on time-stationary domains. The transfer of data from one fixed domain to another uses third-order interpolation. The method is second order accurate in L-1 and first order in L-infinity. The algorithm is verified on flow geometries with prescribed boundary motion. C1 [Miller, Gregory H.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Trebotich, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. RP Miller, GH (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM grgmiller@ucdavis.edu; treb@lbl.gov FU National Science Foundation [DMS-0810939]; Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Office of Advanced Scientific Computing [DE-AC02-05CH11231]; DOE [DE-SC0001981] FX This material is based upon work supported by the National Science Foundation under grant number DMS-0810939, and is supported as part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing, under Award Number DE-AC02-05CH11231, and by DOE grant number DE-SC0001981. NR 40 TC 10 Z9 10 U1 2 U2 9 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3940 EI 2157-5452 J9 COMM APP MATH COM SC JI Commun. Appl. Math. Comput. Sci. PY 2012 VL 7 IS 1 BP 1 EP 31 DI 10.2140/camcos.2012.7.1 PG 31 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 930GK UT WOS:000303125500001 ER PT J AU Burrows, AD Mahon, MF Raithby, PR Warren, AJ Teat, SJ Warren, JE AF Burrows, Andrew D. Mahon, Mary F. Raithby, Paul R. Warren, Anna J. Teat, Simon J. Warren, John E. TI The effect of carboxylate and N,N '-ditopic ligand lengths on the structures of copper and zinc coordination polymers SO CRYSTENGCOMM LA English DT Article ID METAL-ORGANIC FRAMEWORKS; BENZOATE-PYRAZINE; POROUS MATERIALS; CO2 ADSORPTION; CRYSTAL; MOLECULES; HOST; CU; MICROPOROSITY; INCLUSION AB A series of one-dimensional coordination polymers with parallel chains has been prepared by linking together M-2(O2CR)(4) paddle wheel units, where M is Cu or Zn and RCO2- is biphenyl-4-carboxylate or 4-iodobenzoate, with pyrazine (pyz), 2-aminopyrazine (apyz) or 1,4-diazabicyclo[2.2.2]octane (dabco) bridging ligands. The longer length of the substituent in biphenyl-4-carboxylate (bpc) allows for greater separation of the chains in [Cu-2(bpc)(4)(pyz)]center dot 3.8BzOH 1 than has been previously observed in related benzoate compounds, leading to the formation of larger channels within the structure. In [Cu-2(bpc)(4)(dabco)]center dot BzOH 2 and [Zn-2(bpc)(4)(dabco)]center dot 2DMF 3, neighbouring chains are offset relative to each other, enabling them to pack more efficiently and reducing the channel width from that seen in 1. For the 4-iodobenzoate (ibz) compounds [Cu-2(ibz)(4)(pyz)] 4, [Cu-2(ibz)(4)(apyz)]center dot 2BzOH 5 and [Zn-2(ibz)(4)(dabco)]center dot 3.25DMF 6, the chains are closer together than in the bpc compounds, and again when the neighbouring chains are offset with respect to each other, they are able to pack more efficiently. When similar reactions were carried out using 4,4'-bipyridyl (4,4'-bipy) as the bridging ligand, the products were very different. [Cu(bpc)(2)(4,4'-bipy)(BzOH)(2)]center dot 2BzOH 7, [Zn(bpc)(2)(4,4'-bipy)] 8 and [Zn(ibz)(2)(4,4'-bipy)] 9 all have structures in which single metal centres, as opposed to M-2(O2CR)(4) dimers, are bridged into chains by the ditopic linker ligand, and the chains pack efficiently without forming channels. C1 [Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. [Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Warren, John E.] CLRC Daresbury Lab, Warrington WA4 4AD, Cheshire, England. RP Burrows, AD (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. RI Warren, John/B-5219-2008; Raithby, Paul/N-7997-2014 OI Warren, John/0000-0002-8755-7981; Raithby, Paul/0000-0002-2944-0662 FU EPSRC; Cambridge Crystallographic Data Centre FX The EPSRC and the Cambridge Crystallographic Data Centre are thanked for financial support. PRR is grateful to the EPSRC for the award of a Senior Fellowship. NR 30 TC 21 Z9 21 U1 1 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2012 VL 14 IS 10 BP 3658 EP 3666 DI 10.1039/c2ce06709a PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 930UY UT WOS:000303168700045 ER PT J AU Carraher, JM Pestovsky, O Bakac, A AF Carraher, Jack M. Pestovsky, Oleg Bakac, Andreja TI Transition metal ion-assisted photochemical generation of alkyl halides and hydrocarbons from carboxylic acids SO DALTON TRANSACTIONS LA English DT Article ID AQUEOUS-SOLUTION; PHOTO-DECARBOXYLATION; RELATIVE REACTIVITIES; ETHYL RADICALS; SH2 ATTACK; COMPLEXES; OXIDATION; IRON(III); KINETICS; CHLORIDE AB Near-UV photolysis of aqueous solutions of propionic acid and aqueous Fe3+ in the absence of oxygen generates a mixture of hydrocarbons (ethane, ethylene and butane), carbon dioxide, and Fe2+. The reaction becomes mildly catalytic (about five turnovers) in the presence of oxygen which converts a portion of alkyl radicals to oxidizing intermediates that reoxidize Fe2+. The photochemistry in the presence of halide ions (X- = Cl-, Br-) generates ethyl halides via halogen atom abstraction from FeXn3-n by ethyl radicals. Near-quantitative yields of C2H5X are obtained at >= 0.05 M X-. Competition experiments with Co(NH3)(5)Br2+ provided kinetic data for the reaction of ethyl radicals with FeCl2+ (k = (4.0 + 0.5) x 10(6) M-1 s(-1)) and with FeBr2+ (k = (3.0 + 0.5) x 10(7) M-1 s(-1)). Photochemical decarboxylation of propionic acid in the presence of Cu2+ generates ethylene and Cu+. Longer-chain acids also yield alpha olefins as exclusive products. These reactions become catalytic under constant purge with oxygen which plays a dual role. It reoxidizes Cu+ to Cu2+, and removes gaseous olefins to prevent accumulation of Cu+(olefin) complexes and depletion of Cu2+. The results underscore the profound effect that the choice of metal ions, the medium, and reaction conditions exert on the photochemistry of carboxylic acids. C1 [Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM bakac@ameslab.gov FU US Department of Energy [DE-AC02-07CH11358] FX We are thankful to Dr Stephen Veysey for his assistance with GCMS experiments. This manuscript has been authored under Contract No. DE-AC02-07CH11358 with the US Department of Energy. NR 56 TC 4 Z9 4 U1 1 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2012 VL 41 IS 19 BP 5974 EP 5980 DI 10.1039/c2dt30210a PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 930UI UT WOS:000303166800031 PM 22476085 ER PT J AU Ferrier, M Weck, PF Poineau, F Kim, E Stebbins, A Ma, LZ Sattelberger, AP Czerwinski, KR AF Ferrier, Maryline Weck, Philippe F. Poineau, Frederic Kim, Eunja Stebbins, Alan Ma, Longzhou Sattelberger, Alfred P. Czerwinski, Kenneth R. TI First evidence for the formation of technetium oxosulfide complexes: synthesis, structure and characterization SO DALTON TRANSACTIONS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; TRANSITION-METAL SULFIDES; LOW-TEMPERATURE SYNTHESIS; FINE-STRUCTURE; DENSITY; THIOMOLYBDATES; SPECIATION; CHEMISTRY; REAGENTS; SPECTRA AB The reaction of tetrabutylammonium pertechnetate with bis(trimethylsilyl) sulfide in solution was studied by UV-Visible spectroscopy and mass spectrometry. Experimental results and density functional calculations provide the first evidence for the formation of a TcO3S- precursor. Larger scale synthesis afforded a solid that was characterized by EDX and XANES spectroscopy. XANES showed the presence of technetium in tetravalent state. EDX indicated the solid contained technetium, sulfur and oxygen. C1 [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Ferrier, Maryline; Poineau, Frederic; Stebbins, Alan; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Ma, Longzhou] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA. [Stebbins, Alan] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pfweck@sandia.gov OI , Philippe/0000-0002-7610-2893; Stebbins, Alan/0000-0002-6708-4531 FU US Department of Energy [DE-AC07-05ID14517, 0089445, DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding for this research was provided by a subcontract through Battelle 0089445 from the US Department of Energy, agreement No. DE-AC07-05ID14517. Part of this work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-05CH11231. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. 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. We thank Dr Sungsik Lee the coordinator of the beamline 12-BM at the APS facility and Dr David Sassani (Sandia National Laboratories) for his helpful and constructive comments. NR 39 TC 8 Z9 8 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2012 VL 41 IS 20 BP 6291 EP 6298 DI 10.1039/c2dt30063j PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 933UX UT WOS:000303390100032 PM 22495730 ER PT S AU Paolone, A Palumbo, O Rispoli, P Cantelli, R Ronnebro, E Luedtke, A Chandra, D AF Paolone, A. Palumbo, O. Rispoli, P. Cantelli, R. Roennebro, E. Luedtke, A. Chandra, D. BE Schaller, R Mari, D TI Release of Tetrahydrofuran, Structural Phase Transitions and Dynamic Relaxation Processes in Ca(BH4)(2) SO INTERNAL FRICTION AND MECHANICAL SPECTROSCOPY SE Solid State Phenomena LA English DT Proceedings Paper CT 16th International Conference on Internal Friction and Mechanical Spectroscopy (ICIFMS-16) CY JUL 03-08, 2011 CL Lausanne, SWITZERLAND DE hydrogen storage materials; calcium borohydride; adduct release; structural phase transitions; relaxation processes ID CALCIUM BOROHYDRIDE; ANELASTIC SPECTROSCOPY; HYDROGEN STORAGE; CHEMICAL-REACTIONS; CRYSTAL-STRUCTURES; AMMONIA BORANE; DECOMPOSITION; TRANSFORMATIONS; DIFFRACTION; NEUTRON AB Various calcium borohydride samples were investigated by means of combined measurements of thermogravimetry and mass spectrometry, and anelastic spectroscopy. On heating, the release of 2-5% tetrahydrofuran (THF) is detected in all the samples at temperatures below similar to 480 K, even in those which were previously thermally treated, according to procedures known from the literature, in order to remove the solvent. Dehydrogenation takes place above 480 K. Above room temperature the temperature dependence of the Young modulus of Ca(BH4)(2) clearly monitors the release of THF and two irreversible structural phase transitions: from the alpha to the alpha' phase around 460 K and from the alpha' to the beta phase, nearly completely evolved around 590 K. Moreover, the coefficient of elastic energy dissipation presents two dynamic processes below room temperature; a peak around 120 K characterized by an activation energy of 0.20 eV and a pre-exponential factor typical of atom-cluster relaxations, that we attributed to the dynamics of THF molecules retained in the borohydride lattice, and a peak around 200 K, possibly due to the relaxation of H vacancies. C1 [Paolone, A.; Palumbo, O.; Rispoli, P.; Cantelli, R.] Univ Roma La Sapienza, Dipartimento Fis, Piazzale A Moro 2, I-00185 Rome, Italy. [Paolone, A.; Palumbo, O.] UOS Sapienza, CNR, ISC, I-00185 Rome, Italy. [Roennebro, E.; Luedtke, A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chandra, D.] Univ Nevada, Reno, NV 89557 USA. RP Paolone, A (reprint author), Univ Roma La Sapienza, Dipartimento Fis, Piazzale A Moro 2, I-00185 Rome, Italy. EM annalisa.paolone@roma1.infn.it RI Paolone, Annalisa/B-7701-2015; Palumbo, Oriele/B-7694-2015 OI Paolone, Annalisa/0000-0002-4839-7815; FU Italian Ministry of Economic Development FX This work was supported by the Italian Ministry of Economic Development through the Industria 2015 Project "Hydrostore". PNNL is operated by Battelle for the US DOE. NR 25 TC 2 Z9 2 U1 0 U2 5 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0394 J9 SOLID STATE PHENOMEN PY 2012 VL 184 BP 24 EP + DI 10.4028/www.scientific.net/SSP.184.24 PG 2 WC Physics, Condensed Matter; Spectroscopy SC Physics; Spectroscopy GA BZV88 UT WOS:000303086400004 ER PT J AU Ramezanipour, F Greedan, JE Cranswick, LMD Garlea, VO Siewenie, J King, G Llobet, A Donaberger, RL AF Ramezanipour, Farshid Greedan, John E. Cranswick, Lachlan M. D. Garlea, V. Ovidiu Siewenie, Joan King, Graham Llobet, Anna Donaberger, Ronald L. TI The effect of the B-site cation and oxygen stoichiometry on the local and average crystal and magnetic structures of Sr2Fe1.9M0.1O5+y (M = Mn, Cr, Co; y=0, 0.5) SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID MEMBRANES AB Six compounds with formula Sr2Fe1.9M0.1O5+y (M = Mn, Cr, Co; y = 0, 0.5) were synthesized in air and argon, exhibiting surprisingly different properties depending on the B-cation type in spite of the low (5%) doping level. All argon synthesized phases, y similar to 0, have long range brownmillerite ordering of oxygen vacancies with Icmm symmetry as shown by neutron diffraction (ND). All show long-range G-type antiferromagnetic order with Neel temperatures, T-N, from variable temperature ND of 649(3) K, 636(2)K and 668(5)K for Cr, Mn and Co-compounds, respectively, compared with Sr2Fe2O5, T-N = 693 K. Competing ferromagnetic interactions may be responsible for the anomalously low value in the M = Mn case. The air synthesized phases with y similar to 0.5 show surprising variation with M as investigated by X-ray, TOF and constant wavelength neutron diffractions. The M Co compound is isostructural with Sr4Fe4O11 (Sr2Fe2O5.5), Cmmm, while the M = Cr phase is cubic, Pm-3m, and that for M = Mn appears to be cubic but the reflections are systematically broadened in a manner which suggests a local Cmmm structure. NPDF studies show that the local structure of the Cr phase is better described in terms of a Cmmm ordering of oxygen vacancies with Fe-O coordination numbers of five and six. The M = Co material shows C-type antiferromagnetic long-range magnetic order at 4 K as found for Sr4Fe4O11. T-N similar to 230 K is inferred from a ZFC-FC magnetic susceptibility divergence compared with T-N = 232 K for un-doped Sr4Fe4O11. The M = Cr and Mn compounds show no long-range magnetic ordering down to 4 K, but the divergence of ZFC and FC susceptibility data indicative of spin glass-like transitions occur at similar to 60 K and similar to 45 K for Cr and Mn, respectively. ND shows both diffuse and sharp Bragg magnetic reflections at positions consistent with a Cmmm cell for the M = Mn phase. For the M = Cr material, a very weak magnetic Bragg peak indexed as (1/2 1/2 1/2), consistent with a G-type AF order, is found at 4 K. These results rule out a spin glass-like ground state for both materials. C1 [Ramezanipour, Farshid; Greedan, John E.] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada. [Ramezanipour, Farshid; Greedan, John E.] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M, Canada. [Cranswick, Lachlan M. D.; Donaberger, Ronald L.] Chalk River Labs, Natl Res Council, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1J0, Canada. [Garlea, V. Ovidiu] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Siewenie, Joan; King, Graham; Llobet, Anna] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Greedan, JE (reprint author), McMaster Univ, Dept Chem, 1280 Main St W, Hamilton, ON L8S 4M1, Canada. EM greedan@mcmaster.ca RI King, Graham/E-3632-2010; Llobet, Anna/B-1672-2010; Lujan Center, LANL/G-4896-2012; Hu, Xiaojuan/C-4383-2014; Garlea, Vasile/A-4994-2016 OI King, Graham/0000-0003-1886-7254; Garlea, Vasile/0000-0002-5322-7271 FU Natural Sciences and Engineering Research Council (NSERC) of Canada; DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; NSF [DMR 00-76488]; NSERC; National Research Council (NRC) of Canada; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (U.S. DOE); U.S. DOE [DEAC05-00OR22725] FX J.E.G. acknowledges the support of the Natural Sciences and Engineering Research Council (NSERC) of Canada through Discovery Grants. The authors thank Frank Gibbs for his help with the TGA measurements. This work has benefited from the use of NPDF 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. The upgrade of NPDF has been funded by NSF through grant DMR 00-76488. The Canadian Neutron Beam Centre is funded jointly by NSERC and the National Research Council (NRC) of Canada. The work at the High Flux Isotope Reactor, Oak Ridge National Laboratory (ORNL), was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (U.S. DOE). ORNL is operated by UT Battelle, LLC for the U.S. DOE under Contract No. DEAC05-00OR22725. NR 29 TC 3 Z9 3 U1 1 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 19 BP 9522 EP 9538 DI 10.1039/c2jm30957b PG 17 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 931HN UT WOS:000303207100019 ER PT J AU Goel, A Reddy, AA Pascual, MJ Gremillard, L Malchere, A Ferreira, JMF AF Goel, Ashutosh Reddy, Allu Amarnath Pascual, Maria J. Gremillard, Laurent Malchere, Annie Ferreira, Jose M. F. TI Sintering behavior of lanthanide-containing glass-ceramic sealants for solid oxide fuel cells SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CALCIUM ALUMINOSILICATE GLASSES; SIO2-AL2O3-CAO-ZRO2-TIO2 GLASSES; SEALING GLASS; ACTINIDES TH; CRYSTALLIZATION; IMMOBILIZATION; SYSTEMS; WASTES; EU; GD AB This article reports on the influence of different lanthanides (La, Nd, Gd and Yb) on sintering behavior of alkaline-earth aluminosilicate glass-ceramic sealants for their application in solid oxide fuel cells (SOFCs). All the glasses have been prepared by the melt-quench technique. The in situ follow up of sintering behavior of glass powders has been done by a high temperature-environmental scanning electron microscope (HT-ESEM) and a hot-stage microscope (HSM) while the crystalline phase evolution and assemblage have been analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). All the glass compositions exhibit a glass-in-glass phase separation followed by two stage sintering resulting in well sintered glass powder compacts after heat treatment at 850 degrees C for 1 h. Diopside (CaMgSi2O6) based phases constituted the major crystalline part in glass-ceramics followed by some minor phases. The increase in lanthanide content in glasses suppressed their tendency towards devitrification, thus resulting in glass-ceramics with a high amount of residual glassy phase (50-96 wt%) which is expected to facilitate their self-healing behavior during SOFC operation. The electrical conductivity of the investigated glass-ceramics varied between (1.19 and 7.33) x 10(-7) S cm(-1) (750-800 degrees C) while the coefficient of thermal expansion (CTE) varied between (9.4 and 11.2) x 10(-6) K-1 (200-700 degrees C). Further experimentation with respect to the long term thermal and chemical stability of residual glassy phase under SOFC operation conditions along with high temperature viscosity measurements will be required in order to elucidate the potential of these glass-ceramics as self-healing sealants. C1 [Goel, Ashutosh] Pacific NW Natl Lab, Richland, WA 99354 USA. [Reddy, Allu Amarnath; Ferreira, Jose M. F.] Univ Aveiro, CICECO, Dept Ceram & Glass Engn, P-3810193 Aveiro, Portugal. [Pascual, Maria J.] Inst Ceram & Vidrio CSIC, Madrid 28049, Spain. [Gremillard, Laurent; Malchere, Annie] Univ Lyon, INSA Lyon, MATEIS UMR CNRS 5510, F-69621 Villeurbanne, France. RP Goel, A (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM ashutosh.goel@pnnl.gov RI Goel, Ashutosh/J-9972-2012; Allu, Amarnath/M-5060-2016; OI Allu, Amarnath/0000-0003-0450-0929; Gremillard, Laurent/0000-0001-7258-6483 FU FCT-Portugal [PTDC/CTM-CER/114209/2009]; CICECO FX This work was partially supported by a research project funded by FCT-Portugal (PTDC/CTM-CER/114209/2009). The support of CICECO is also acknowledged. The CLYM (Consortium Lyonnais de Microscopie) is acknowledged for providing access to the ESEM. NR 41 TC 23 Z9 23 U1 1 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 19 BP 10042 EP 10054 DI 10.1039/c2jm16300d PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 931HN UT WOS:000303207100087 ER PT J AU Kim, J Taylor, D Agrawal, N Wang, H Kim, H Han, A Rege, K Jayaraman, A AF Kim, Jeongyun Taylor, David Agrawal, Nitin Wang, Han Kim, Hyunsoo Han, Arum Rege, Kaushal Jayaraman, Arul TI A programmable microfluidic cell array for combinatorial drug screening SO LAB ON A CHIP LA English DT Article ID TRAIL-INDUCED APOPTOSIS; CANCER-CELLS; SOFT LITHOGRAPHY; EXPRESSION; CULTURE; DEATH; P53; APO2L/TRAIL; SENSITIZERS; MECHANISMS AB We describe the development of a fully automatic and programmable microfluidic cell culture array that integrates on-chip generation of drug concentrations and pair-wise combinations with parallel culture of cells for drug candidate screening applications. The device has 64 individually addressable cell culture chambers in which cells can be cultured and exposed either sequentially or simultaneously to 64 pair-wise concentration combinations of two drugs. For sequential exposure, a simple microfluidic diffusive mixer is used to generate different concentrations of drugs from two inputs. For generation of 64 pair-wise combinations from two drug inputs, a novel time dependent variable concentration scheme is used in conjunction with the simple diffusive mixer to generate the desired combinations without the need for complex multi-layer structures or continuous medium perfusion. The generation of drug combinations and exposure to specific cell culture chambers are controlled using a LabVIEW interface capable of automatically running a multi-day drug screening experiment. Our cell array does not require continuous perfusion for keeping cells exposed to concentration gradients, minimizing the amount of drug used per experiment, and cells cultured in the chamber are not exposed to significant shear stress continuously. The utility of this platform is demonstrated for inducing loss of viability of PC3 prostate cancer cells using combinations of either doxorubicin or mitoxantrone with TRAIL (TNF-alpha Related Apoptosis Inducing Ligand) either in a sequential or simultaneous format. Our results demonstrate that the device can capture the synergy between different sensitizer drugs and TRAIL and demonstrate the potential of the microfluidic cell array for screening and optimizing combinatorial drug treatments for cancer therapy. C1 [Kim, Jeongyun; Jayaraman, Arul] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. [Taylor, David; Rege, Kaushal] Arizona State Univ, Tempe, AZ 85287 USA. [Agrawal, Nitin] Pacific NW Natl Lab, Richland, WA 99354 USA. [Wang, Han; Kim, Hyunsoo; Han, Arum] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. RP Rege, K (reprint author), Arizona State Univ, 501 E Tyler Mall,ECG 303, Tempe, AZ 85287 USA. EM krege@asu.edu; arulj@tamu.edu RI Han, Arum/C-7078-2013 OI Han, Arum/0000-0002-9223-8301 FU National Cancer Institute [5R21CA131891-02]; Achievement Rewards for College Scientists (ARCS) Foundation FX The authors would like to acknowledge financial support from the National Cancer Institute (5R21CA131891-02). DT acknowledges a fellowship from the Achievement Rewards for College Scientists (ARCS) Foundation. NR 35 TC 42 Z9 44 U1 3 U2 66 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2012 VL 12 IS 10 BP 1813 EP 1822 DI 10.1039/c2lc21202a PG 10 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 930UL UT WOS:000303167200012 PM 22456798 ER PT J AU Ager, JW Miller, NR AF Ager, Joel W., III Miller, Nate R. TI Taming transport in InN SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE conductivity; doping; indium nitride; thermopower ID MOLECULAR-BEAM EPITAXY; GAN; SEMICONDUCTORS; DEFECTS AB The large electron affinity of InN, close to 6 eV and the largest of any III-V semiconductor, creates a strong driving force for native donor formation, both in the bulk and at surfaces and interfaces. Moreover, all InN surfaces, regardless of crystal orientation or doping, have been observed to have a surface accumulation layer of electrons, which interferes with standard electrical measurements. For these reasons, until recently, it was uncertain whether or not compensation by donor defects would prevent "real'' p-type activity (i.e., existence of sufficiently shallow acceptors and mobile holes). A coordinated experimental approach using a combination of electrical (Hall effect) and electrothermal (Seebeck coefficient) measurements will be described that allows definitive evaluation of carrier transport in InN. In Mg-doped InN films, the sensitivity of thermopower to bulk hole conduction, combined with modeling of the parallel conducting layers (surface/bulk/interface), enables quantitative measurement of the free hole concentration and mobility. In undoped (n-type) material, combined Hall and thermopower measurements, along with a considering of the scattering mechanisms, leads to a quantitative understanding of the crucial role of charged line defects in limiting electron transport. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Ager, Joel W., III; Miller, Nate R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Miller, Nate R.] Emcore, Albuquerque, NM 87123 USA. RP Ager, JW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jwager@lbl.gov OI Ager, Joel/0000-0001-9334-9751 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231]; DoD, Air Force Office of Scientific Research [32 CFR 168a] FX This work was performed within LBNL's Electronic Materials Program which is supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. N. Miller acknowledges government support under and awarded by DoD, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate (NDSEG) Fellowship, 32 CFR 168a. We thank Y. Nanishi (Ritsumeikan U.), W. J. Schaff (Cornell), and J. Speck (UC Santa Barbara) for providing the InN films used in this study and acknowledge many fruitful discussions with W. Walukiewicz, E. E. Haller, and K. M. Yu. NR 35 TC 3 Z9 3 U1 1 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6300 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD JAN PY 2012 VL 209 IS 1 BP 83 EP 86 DI 10.1002/pssa.201100069 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 933RT UT WOS:000303380700017 ER PT J AU Xiao, HY Zhang, YW Weber, WJ AF Xiao, Haiyan Zhang, Yanwen Weber, William J. TI Enhanced electronic conductivity by controlled self-doping in pyrochlores SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SAMARIUM TITANATE PYROCHLORE; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ELECTRICAL-CONDUCTIVITY; OXIDE; STABILITY; EVOLUTION; SYSTEM; PHASE AB Most 5d transition-metal (TM) pyrochlores exhibit metallic behavior, but 3d and 4d TM pyrochlores are generally electronic semiconductors or insulators. Here, we report a semiconductor-metal transition induced by introducing excess Ti metal as interstitials into Y2Ti2O7. These Ti interstitials prefer anion vacant 8a sites or bridge sites between two neighboring cations along the < 010 > direction. Density functional theory calculations suggest that an increased electronic conductivity originates from the interplay between the extra Ti and its neighboring cations. These findings suggest a means for achieving metallic behavior in semiconducting pyrochlore oxides and tuning the electronic conduction in pyrochlores for their electrochemical applications in solid oxide fuel cells. C1 [Xiao, Haiyan; Zhang, Yanwen; Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Xiao, HY (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM hxiao@utk.edu RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division; National Natural Science Foundation of China [11004023]; Scientific Research Foundation for Returned Overseas Chinese Scholars, State Education Ministry FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. The theoretical calculations were performed using the supercomputer resources at the National Energy Research Scientific Computing Center located at Lawrence Berkeley National Laboratory. Dr Xiao also acknowledges the partial support of the National Natural Science Foundation of China (Grant No. 11004023), and the Scientific Research Foundation for Returned Overseas Chinese Scholars, State Education Ministry during the initial phases of this study. NR 37 TC 4 Z9 4 U1 0 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 18 BP 6556 EP 6560 DI 10.1039/c2cp40744b PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928AI UT WOS:000302951500050 PM 22456679 ER PT J AU Lacina, D Yang, L Chopra, I Muckerman, J Chabal, Y Graetz, J AF Lacina, David Yang, Liu Chopra, Irinder Muckerman, James Chabal, Yves Graetz, Jason TI Investigation of LiAlH4-THF formation by direct hydrogenation of catalyzed Al and LiH SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; TI-DOPED LIALH4; ALUMINUM-HYDRIDE; ORGANIC-MOLECULES; STORAGE MATERIALS; SODIUM ALANATE; NAALH4; PERFORMANCE; DESORPTION AB The formation of LiAlH4-THF by direct hydrogenation of Al and LiH in tetrahydrofuran (THF) was investigated using spectroscopic and computational methods. The molecular structures and free energies of the various possible adducts (THF-AlH3, THF-LiH and THF-LiAlH4) present in a LiAlH4/THF solution were calculated and the dominant species were determined to be contact ion pairs where three THF molecules coordinate the lithium. Raman and X-ray absorption spectroscopy were used to investigate the effect of different Ti precursors on the formation of Al-H species and LiAlH4-THF and determine the optimal reaction conditions. A unique sample stage was developed from a microfluidic cell to evaluate the catalysts in situ. The effectiveness of two types of catalysts, titanium chloride (TiCl3) and titanium butoxide (Ti(C4H9O)(4)), and the catalyst concentration were evaluated under similar reaction conditions. Both catalysts were effective at facilitating hydrogenation, although TiCl3 was more effective over the first few cycles with the greatest kinetic enhancement achieved with a low concentration of around 0.15 mol%. These results were qualitatively supported by infrared spectroscopy, which indicated that although a small amount of Ti is necessary for disassociating H-2, excess surface Ti (> 0.1 ML) hinders the formation of Al-H species. C1 [Lacina, David; Yang, Liu; Muckerman, James; Graetz, Jason] Brookhaven Natl Lab, Upton, NY 11973 USA. [Chopra, Irinder; Chabal, Yves] Univ Texas Dallas, Richardson, TX 75080 USA. RP Graetz, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI Yang, Liu/F-7135-2012; Muckerman, James/D-8752-2013 FU Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-98CH10886] FX This work was fully supported by the Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC02-98CH10886. The authors gratefully acknowledge the National Synchrotron Light Source and the Center for Functional Nanomaterials at Brookhaven National Laboratory for use of beamline X3B and the Raman microscope. Calculations were carried out in large part at the CFN Computational Cluster under a user proposal by JTM. NR 39 TC 7 Z9 7 U1 4 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 18 BP 6569 EP 6576 DI 10.1039/c2cp40493a PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928AI UT WOS:000302951500052 PM 22456794 ER PT J AU Wagner, LK Majzoub, EH Allendorf, MD Grossman, JC AF Wagner, Lucas K. Majzoub, Eric H. Allendorf, Mark D. Grossman, Jeffrey C. TI Tuning metal hydride thermodynamics via size and composition: Li-H, Mg-H, Al-H, and Mg-Al-H nanoclusters for hydrogen storage SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ELECTRONIC-STRUCTURE; MAGNESIUM HYDRIDE; LITHIUM CLUSTERS; NANOPARTICLES; RELEASE; SYSTEM; ENERGY AB Nanoscale Li and intermetallic Al-Mg metal hydride clusters are investigated as a possible hydrogen storage material using the high-level quantum Monte Carlo computational method. Lower level methods such as density functional theory are qualitatively, not quantitatively accurate for the calculation of the enthalpy of absorption of H-2. At sizes around 1 nm, it is predicted that Al/Mg alloyed nanoparticles are stable relative to the pure compositions and the metal composition can be tuned in tandem with the size to tune the hydrogen absorption energy, making this a promising route to a rechargeable hydrogen storage material. C1 [Wagner, Lucas K.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Majzoub, Eric H.] Univ Missouri, Ctr Nanosci, St Louis, MO 63121 USA. [Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA USA. [Grossman, Jeffrey C.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Majzoub, Eric H.] Univ Missouri, Dept Phys & Astron, St Louis, MO 63121 USA. RP Wagner, LK (reprint author), Univ Illinois, Dept Phys, Urbana, IL 61801 USA. EM lkwagner@illinois.edu; jcg@mit.edu RI Wagner, Lucas/F-7801-2015 OI Wagner, Lucas/0000-0002-3755-044X FU U.S. Department of Energy Office of Hydrogen, Fuel Cells, and Infrastructure Program FX Thanks to Kevin Rasch for providing input files for solid Li. This work was supported by the U.S. Department of Energy Office of Hydrogen, Fuel Cells, and Infrastructure Program. We also thank NSF Teragrid for computational resources. NR 46 TC 12 Z9 12 U1 2 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 18 BP 6611 EP 6616 DI 10.1039/c2cp24063g PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928AI UT WOS:000302951500057 PM 22456531 ER PT J AU Gao, F Goodman, DW AF Gao, Feng Goodman, D. Wayne TI CO oxidation over ruthenium: identification of the catalytically active phases at near-atmospheric pressures SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PT-GROUP METALS; INSITU FT-IRAS; CARBON-MONOXIDE; SINGLE-CRYSTAL; INFRARED-SPECTROSCOPY; ULTRAHIGH-VACUUM; STEADY-STATE; OXYGEN; RUO2(110); SURFACE AB CO oxidation was carried out over Ru(0001) and RuO2(110) thin film grown on Ru(0001) at various O-2/CO ratios near atmospheric pressures. Reaction kinetics, coupled with in situ polarization modulation infrared reflection absorption spectroscopy (PM-IRAS) and post-reaction Auger electron spectroscopy (AES) measurements, were used to identify the catalytically relevant phases under different reaction conditions. Under stoichiometric and reducing conditions at all reaction temperatures, as well as net-oxidizing reaction conditions below similar to 475 K, a reduced metallic phase with chemisorbed oxygen is the thermodynamically stable and catalytically active phase. On this surface CO oxidation occurs at surface defect sites, for example step edges. Only under net-oxidizing reaction conditions and above similar to 475 K is the RuO2 thin film grown on metallic Ru stable and active. However, RuO2 is not active itself without the existence of the metal substrate, suggesting the importance of a strong metal-substrate interaction (SMSI). C1 [Gao, Feng] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Goodman, D. Wayne] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. RP Gao, F (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, POB 999, Richland, WA 99352 USA. EM feng.gao@pnnl.gov FU US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-95ER-14511]; Robert A. Welch Foundation FX We gratefully acknowledge the support for this work by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences (DE-FG02-95ER-14511), and the Robert A. Welch Foundation. NR 57 TC 16 Z9 16 U1 3 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 19 BP 6688 EP 6697 DI 10.1039/c2cp40121e PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 931WX UT WOS:000303251100002 PM 22473306 ER PT J AU Ji, LW Xin, HLL Kuykendall, TR Wu, SL Zheng, HM Rao, MM Cairns, EJ Battaglia, V Zhang, YG AF Ji, Liwen Xin, Huolin L. Kuykendall, Tevye R. Wu, Shao-Ling Zheng, Haimei Rao, Mumin Cairns, Elton J. Battaglia, Vincent Zhang, Yuegang TI SnS2 nanoparticle loaded graphene nanocomposites for superior energy storage SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LITHIUM-ION BATTERIES; ANODE MATERIALS; PERFORMANCE; CAPACITY; NANOSTRUCTURES; CONVERSION; FUTURE; LAYERS; CELLS; OXIDE AB SnS2 nanoparticle-loaded graphene nanocomposites were synthesized via one-step hydrothermal reaction. Their electrochemical performance was evaluated as the anode for rechargeable lithium-ion batteries after thermal treatment in an Ar environment. The electrochemical testing results show a high reversible capacity of more than 800 mA h g(-1) at 0.1 C rate and 200 mA h g(-1) for up to 5 C rate. The cells also exhibit excellent capacity retention for up to 90 cycles even at a high rate of 2 C. This electrochemical behavior can be attributed to the well-defined morphology and nanostructures of these as-synthesized nanocomposites, which is characterized by high-resolution transmission electron microscopy and electron energy-loss spectroscopy. C1 [Ji, Liwen; Kuykendall, Tevye R.; Zhang, Yuegang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Xin, Huolin L.; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wu, Shao-Ling; Rao, Mumin; Cairns, Elton J.; Battaglia, Vincent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Rao, Mumin; Cairns, Elton J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Zhang, YG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM yzhang5@lbl.gov RI Zhang, Y/E-6600-2011; Xin, Huolin/E-2747-2010; Cairns, Elton/E-8873-2012 OI Zhang, Y/0000-0003-0344-8399; Xin, Huolin/0000-0002-6521-868X; Cairns, Elton/0000-0002-1179-7591 FU Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [E-AC02-05CH11231] FX This work was supported by the Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under contract No. DE-AC02-05CH11231. HLX thanks Qingyun Mao of Cornell University for the FEFF simulations of the sulfur L2,3 edges. NR 41 TC 44 Z9 44 U1 6 U2 99 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 19 BP 6981 EP 6986 DI 10.1039/c2cp40790f PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 931WX UT WOS:000303251100034 PM 22495542 ER PT J AU Pilli, SK Deutsch, TG Furtak, TE Turner, JA Brown, LD Herring, AM AF Pilli, Satyananda Kishore Deutsch, Todd G. Furtak, Thomas E. Turner, John A. Brown, Logan D. Herring, Andrew M. TI Light induced water oxidation on cobalt-phosphate (Co-Pi) catalyst modified semi-transparent, porous SiO2-BiVO4 electrodes SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID OXYGEN-EVOLVING CATALYST; BIVO4 THIN-FILMS; VISIBLE-LIGHT; HYDROGEN-PRODUCTION; PHOTOCATALYTIC PROPERTIES; DRIVEN PHOTOCATALYST; PHOTOANODES; COMPOSITE; SEMICONDUCTOR; PHOTOELECTROLYSIS AB A facile and simple procedure for the synthesis of semi-transparent and porous SiO2-BiVO4 electrodes is reported. The method involves a surfactant assisted metal-organic decomposition at 500 degrees C. An earth abundant oxygen evolution catalyst (OEC), cobalt phosphate (Co-Pi), has been used to modify the SiO2-BiVO4 electrode by electrodeposition (ED) and photoassisted electrodeposition (PED) methods. Modified electrodes by these two methods have been examined for light induced water oxidation and compared to the unmodified SiO2-BiVO4 electrodes by various photoelectrochemical techniques. The PED method was a more effective method of OEC preparation than the ED method as evidenced by an increased photocurrent magnitude during photocurrent-potential (I-V) characterizations. Electrode surfaces catalyzed by PED exhibited a very large cathodic shift (similar to 420 mV) in the onset potential for water oxidation. The chopped-light I-V measurements performed at different intervals over 24-hour extended testing under illumination and applied bias conditions show a fair photostability for PED Co-Pi modified SiO2-BiVO4. C1 [Pilli, Satyananda Kishore; Brown, Logan D.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA. [Furtak, Thomas E.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Deutsch, Todd G.; Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Pilli, SK (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA. EM aherring@mines.edu RI Brown, Logan/E-7699-2011; OI Deutsch, Todd/0000-0001-6577-1226; Herring, Andrew/0000-0001-7318-5999 FU Center for Revolutionary Solar Photoconversion FX We thank the Center for Revolutionary Solar Photoconversion for a seed grant. NR 69 TC 43 Z9 43 U1 8 U2 125 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 19 BP 7032 EP 7039 DI 10.1039/c2cp40673j PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 931WX UT WOS:000303251100040 PM 22466621 ER PT J AU Smith, KC Mukherjee, PP Fisher, TS AF Smith, Kyle C. Mukherjee, Partha P. Fisher, Timothy S. TI Columnar order in jammed LiFePO4 cathodes: ion transport catastrophe and its mitigation SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID IRON-PHOSPHATE ELECTRODE; BATTERY MATERIALS; ELECTROCHEMICAL REACTIVITY; COMPOSITE ELECTRODES; PHASE-TRANSFORMATION; HYDROTHERMAL METHOD; LITHIUM BATTERIES; ROOM-TEMPERATURE; DISCHARGE MODEL; DIFFUSION AB The high-rate, high-capacity potential of LiFePO4-based lithium-ion battery cathodes has motivated numerous experimental and theoretical studies aiming to realize such performance through nano-sizing, tailoring of particle shape through synthesis conditions, and doping. Here, a granular mechanics study of microstructures formed by dense jammed packings of experimentally and theoretically inspired LiFePO4 particle shapes is presented. A strong dependence of the resultant packing structures on particle shapes is observed, in which columnar structures aligned with the [010] direction inhibit diffusion along [010] in anisotropic LiFePO4. Transport limitations are induced by [010] columnar order and lead to catastrophic performance degradation in anisotropic LiFePO4 electrodes. Further, judicious mixing of nanoplatelets with additive nanoparticles can frustrate columnar ordering and thereby enhance the rate capability of LiFePO4 electrodes by nearly an order of magnitude. C1 [Smith, Kyle C.; Fisher, Timothy S.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Smith, Kyle C.; Fisher, Timothy S.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Mukherjee, Partha P.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Fisher, TS (reprint author), Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. EM tsfisher@purdue.edu RI Smith, Kyle/C-1774-2015; Fisher, Timothy/D-8517-2011 OI Smith, Kyle/0000-0002-1141-1679; Fisher, Timothy/0000-0002-8909-313X FU U.S. National Science Foundation; Purdue Graduate School; U.S. Department of Energy [DEAC05-00OR22725] FX K.C.S. thanks the U.S. National Science Foundation and the Purdue Graduate School for financial support. P.P.M. acknowledges the strategic research funding in energy storage from Oak Ridge National Laboratory, managed by UT-Battelle LLC for the U.S. Department of Energy under contract No. DEAC05-00OR22725. The authors thank Jayathi Murthy for utilization of computing resources. The authors thank Dan Cogswell for helpful discussion regarding intercalation waves and coherency strain. The authors also thank the referees for the constructive reviews of the present work. NR 59 TC 20 Z9 20 U1 3 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2012 VL 14 IS 19 BP 7040 EP 7050 DI 10.1039/c2cp40135e PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 931WX UT WOS:000303251100041 PM 22476114 ER PT S AU Jansson, C AF Jansson, Christer BE Luttge, U Beyschlag, W Budel, B Francis, D TI Metabolic Engineering of Cyanobacteria for Direct Conversion of CO2 to Hydrocarbon Biofuels SO PROGRESS IN BOTANY 73 SE Progress in Botany LA English DT Article; Book Chapter ID CARRIER PROTEIN THIOESTERASE; FATTY-ACID BIOSYNTHESIS; ESCHERICHIA-COLI; CARBON-DIOXIDE; ACP THIOESTERASE; ALKANES; BIODIESEL; OVERPRODUCTION; SPECIFICITY; SYNTHETASE AB Cyanobacteria are oxygenic photosynthesizers like plant and algae and hence can capture CO2 via the Calvin cycle and convert it to a suite of organic compounds. They are Gram-negative bacteria and are well suited for synthetic biology and metabolic engineering approaches for the phototrophic production of various desirable biomolecules, including ethanol, butanol, biodiesel, and hydrocarbon biofuels. Phototrophic biosynthesis of high-density liquid biofuels in cyanobacteria would serve as a good complement to the microbial production of biodiesel and hydrocarbons in heterotrophic bacteria such as Escherichia coli. Two groups of hydrocarbon biofuels that are being considered in microbial production systems are alkanes and isoprenoids. Alkanes of defined chain lengths can be used as drop-in fuel similar to gasoline and jet fuel. Many cyanobacteria synthesize alkanes, albeit in minute quantities. Optimizing the expression of the alkane biosynthesis genes and enhancing the carbon flux through the fatty acid and alkane biosynthesis pathways should lead to the accumulation and/or secretion of notable amounts of alkanes. It also becomes important to understand how to control the chain lengths of the produced alkane molecules. Isoprenoids, e.g., the monoterpene pinene and the sesquiterpene farnesene, are considered precursors for future biodiesel or next-generation jet fuel. Cyanobacteria produce carotenoids and extending the carotenoid biosynthetic pathways by the introduction of constructs for appropriate terpene synthases should allow the biosynthesis of selected mono- and sesquiterpenes. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Jansson, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM cgjansson@lbl.gov NR 49 TC 11 Z9 11 U1 2 U2 35 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0340-4773 BN 978-3-642-22745-5 J9 PROG BOT JI Prog. Bot. PY 2012 VL 73 BP 81 EP 93 DI 10.1007/978-3-642-22746-2_3 D2 10.1007/978-3-642-22746-2 PG 13 WC Plant Sciences SC Plant Sciences GA BZW23 UT WOS:000303130300003 ER PT S AU Zhu, ML Cai, LY Cao, WZ Zhou, QL AF Zhu, Mulan Cai, Longyan Cao, Wenzhi Zhou, Quanlin BE Li, H Xu, QJ Zhang, D TI A three-dimensional numerical simulation of heat transport in the coastal areas of the Houshi power plant SO PROGRESS IN ENVIRONMENTAL SCIENCE AND ENGINEERING (ICEESD2011), PTS 1-5 SE Advanced Materials Research LA English DT Proceedings Paper CT International Conference on Energy, Environment and Sustainable Development (ICEESD 2011) CY OCT 21-23, 2011 CL Shanghai Univ Elect Power, Shanghai, PEOPLES R CHINA SP Xinjiang Univ, Hebei United Univ HO Shanghai Univ Elect Power DE Houshi power plant; Thermal discharge; POM model; Three dimensional simulation; Heat transport ID STATION; WATERS AB The thermal discharge from the Houshi power plant has been increased continuously with the increase in power supply. In order to understand the waste heat pollution conditions in the coastal areas of the Houshi power plant, we proposed a modified Princeton Ocean Model (POM) model to conduct three-dimensional numerical simulations for heat transport in the coastal areas of the plant. The proposed model was verified using observation data in 2002 under previous operational condition of the power plant with a thermal discharge of Q(s) = 65.1m(3) / s. The verification results indicate that the simulation results of heat transport have a good agreement with observation ones. C1 [Zhu, Mulan] Xiamen Univ Technol, Water Resources & Environm Inst, Xiamen 361005, Peoples R China. [Cai, Longyan] Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China. [Cao, Wenzhi] Xiamen Univ, Environm Sci Res Ctr, Xiamen 361005, Peoples R China. [Zhou, Quanlin] Lawrence Berkeley Natl Lab LBNL, Earth Sci Div, Berkeley, CA USA. RP Zhu, ML (reprint author), Xiamen Univ Technol, Water Resources & Environm Inst, Xiamen 361005, Peoples R China. EM zhuml@xmut.edu.cn; hz4433@sina.com; wzcao@xmu.edu.cn; Qzhou@lbl.gov FU Fujian Natural Science Foundation [2007J0309] FX This work was financially supported by the Fujian Natural Science Foundation (2007J0309). NR 15 TC 1 Z9 2 U1 1 U2 2 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1022-6680 BN 978-3-03785-267-5 J9 ADV MATER RES-SWITZ PY 2012 VL 356-360 BP 2718 EP + DI 10.4028/www.scientific.net/AMR.356-360.2718 PN 1-5 PG 2 WC Engineering, Environmental; Environmental Sciences; Materials Science, Multidisciplinary SC Engineering; Environmental Sciences & Ecology; Materials Science GA BZT43 UT WOS:000302888301172 ER PT J AU Thakur, P Xiong, Y Borkowski, M Choppin, GR AF Thakur, P. Xiong, Y. Borkowski, M. Choppin, G. R. TI Thermodynamic modeling of trivalent Am, Cm and Eu-citrate complexation in concentrated NaClO4 media SO RADIOCHIMICA ACTA LA English DT Article DE Citric acid dissociation constants; Am-Cm-Eu-citrate complexation; Pitzer parameters; Extraction; High ionic strength ID HIGH IONIC-STRENGTH; STABILITY-CONSTANTS; AQUEOUS THERMODYNAMICS; ACTINIDE COMPLEXATION; CITRIC COMPLEXES; ORGANIC-LIGANDS; ACID; AMERICIUM; OXALATE; EINSTEINIUM AB The dissociation constants of citric acid (Cit), and the stability constants of Am3+, Cm3+ and Eu3+ with Cit were determined as a function of ionic strength (NaClO4) using potentiometric titration and an extraction technique, respectively. The results have shown the presence of both 1: 1 and 1: 2 complexes under the experimental conditions. A thermodynamic model was constructed to predict the apparent stability constants at different ionic strengths by applying the Pitzer ionic interaction parameters beta((0)), beta((1)), and C-phi which were obtained to fit the experimental data. Thermodynamic stability constants of M(Cit) and M(Cit)(2)(3-) (where M = Am3+, Cm3+ or Eu3+) were calculated to be log beta(0)(101) = 9.91 +/- 0.10, log beta(0)(102) = 14.47 +/- 0.14 for Am3+ log beta(0)(101) = 9.53 +/- 0.16, log beta(0)(102) = 14.46 +/- 0.16 for Cm3+ and log beta(0)(101) = 9.82 +/- 0.14, log beta(0)(102) = 13.31 +/- 0.12 for Eu3+ as obtained by extrapolation to zero ionic strength. C1 [Borkowski, M.] Los Alamos Natl Lab, Carlsbad, NM 88220 USA. [Thakur, P.; Xiong, Y.; Choppin, G. R.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. Sandia Natl Labs, Carlsbad Program Grp, Carlsbad, NM 88220 USA. RP Borkowski, M (reprint author), Los Alamos Natl Lab, 115 N Main St, Carlsbad, NM 88220 USA. EM marian@lanl.gov FU US Department of Energy, Office of Basic Energy Science; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The support of this work by the US Department of Energy, Office of Basic Energy Science, is gratefully acknowledged. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 31 TC 3 Z9 3 U1 2 U2 18 PU OLDENBOURG VERLAG PI MUNICH PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PY 2012 VL 100 IS 3 BP 165 EP 172 DI 10.1524/ract.2012.1906 PG 8 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 925CS UT WOS:000302738800002 ER PT J AU Heald, SM Krupka, KM Brown, CF AF Heald, S. M. Krupka, K. M. Brown, C. F. TI Incorporation of pertechnetate and perrhenate into corroded steel surfaces studied by X-ray absorption fine structure spectroscopy SO RADIOCHIMICA ACTA LA English DT Article DE Technetium; Rhenium; Radioactive waste; Steel corrosion; XAFS ID TECHNETIUM REDUCTION; MICROBIAL REDUCTION; YUCCA MOUNTAIN; RHENIUM OXIDES; IRON; SEDIMENTS; CORROSION; BEHAVIOR; INHIBITION; FE(II) AB Batch reaction experiments and solid-phase characterization analyses were completed to examine the uptake of dissolved perrhenate [Re(VII)] or pertechnetate [Tc(VII)] by A-516 steel coupons that corroded in simulated groundwater solutions or dilute water. The goal was to identify the mechanism(s) that control till; uptake of Tc-99 by corrosion products on carbon steel in the presence of dilute solutions. X-ray absorption fine structure spectroscopy (XAFS) was used to study the oxidation states of Re and Tc incorporated into the corroded steel coupon surfaces. X-ray fluorescence maps showed that the corroded coupons contain localized regions enriched in Re or Tc. The Re L-3 near edge XAFS results for the coupons reacted with Re-spiked waters were consistent with nearly all of the sorbed Re being present as perrhenate and not significantly reduced to Re(IV). Linear combination fits of the extended XAFS signals for the perrhenate and (ReO2)-O-IV standards indicate that Re sorbed to the steel coupons corroded in simulated J-13 (a relatively dilute Na-HCO3-CO3 groundwater) and even more dilute waters consists of a maximum of 5 and 10% Re(IV), respectively. The fluorescence results also showed that the Re concentrations increased with increasing time of exposure to the X-ray beam, which suggests that the perrhenate ions are only weakly bonded to the matrix of the corrosion product. In contrast to the Re results, the Tc K edge XAFS results for the coupons reacted in Tc-99-spiked waters indicate that most of the sorbed Tc had been reduced to Tc(IV). The shape of the near edge and extended fine structure is similar to the Tc(IV)-hydrous ferric oxide (HFO) and not the TcO2 center dot nH(2)O standard. Differences were noted in the XAFS results for steel coupons reacted with waters spiked with 0.001 vs. 0.1 mmol/L Tc-99 in that much more of the sorbed Tc from 0.001 mmol/L Tc-99 experiments was in the form of pertechnetate. Comparison of the XAFS results for coupons reacted with 0.001 mmol/L Tc-99-spiked dilute simulated Na-HCO3-CO3 groundwater vs. 0.001 mmol/L Tc-99-spiked dilute water also suggest that there are likely differences in the sorption mechanism for the pertechnetate fraction in the corrosion product which formed in these two test solutions. The cause for these differences is not known, but is likely due to differences in the compositions of the dilute simulated Na-HCO3-CO3 groundwater and more dilute waters, such as the dissolved carbonate concentrations. C1 [Heald, S. M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Krupka, K. M.; Brown, C. F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Heald, SM (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM heald@aps.anl.gov FU DOE [DE-ACO5-76RLO 1830]; DOE Office of Civilian Radioactive Waste Management; DOE Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357]; US Department of Energy - Basic Energy Sciences; NSERC; University of Washington; Simon Fraser University; Advanced Photon Source FX The authors are particularly grateful for the technical review and helpful comments provided by Abe Van Luik. The Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the DOE under Contract DE-ACO5-76RLO 1830. This study has been funded in part by the DOE Office of Civilian Radioactive Waste Management. Use of the Advanced Photon Source (APS) was supported by the DOE Office of Science, Office of Basic Energy Sciences, under Contract No. DE-ACO2-06CH11357. PNC/XOR facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy - Basic Energy Sciences, a major facilities access grant from NSERC, the University of Washington, Simon Fraser University, and the Advanced Photon Source. NR 60 TC 4 Z9 4 U1 4 U2 31 PU OLDENBOURG VERLAG PI MUNICH PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PY 2012 VL 100 IS 4 BP 243 EP 253 DI 10.1524/ract.2012.1912 PG 11 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 932BS UT WOS:000303265600004 ER PT S AU An, Q Ravelo, R Germann, TC Han, WZ Luo, SN Tonks, DL Goddard, WA AF An, Q. Ravelo, R. Germann, T. C. Han, W. Z. Luo, S. N. Tonks, D. L. Goddard, W. A., III BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK COMPRESSION AND SPALLATION OF SINGLE CRYSTAL TANTALUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Spallation; twinning; dislocation; shock; bcc AB We present molecular dynamics simulations of shock-induced plasticity and spall damage in single crystal Ta described by a recently developed embedded-atom-method (EAM) potential and a volume-dependent qEAM potential. We use impact or Hugoniotstat simulations to investigate the Hugoniots, deformation and spallation. Both EAM and qEAM are accurate in predicting, e.g., the Hugoniots and gamma-surfaces. Deformation and spall damage are anisotropic for Ta single crystals. Our preliminary results show that twinning is dominant for [100] and [110] shock loading, and dislocation, for [111]. Spallation initiates with void nucleation at defective sites from remnant compressional deformation or tensile plasticity. Spall strength decreases with increasing shock strength, while its rate dependence remains to be explored. C1 [An, Q.; Goddard, W. A., III] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. [An, Q.; Ravelo, R.; Germann, T. C.; Han, W. Z.; Luo, S. N.; Tonks, D. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ravelo, R.] Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA. RP An, Q (reprint author), CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. RI Han, Weizhong/C-9963-2011; An, Qi/I-6985-2012 FU LDRD; ASC; PSAAP FX We benefited from discussions with Y. Z. Tang. This work was supported by the LDRD and ASC programs at LANL, and the PSAAP project at Caltech. NR 6 TC 4 Z9 4 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686509 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300297 ER PT S AU Anderson, WW Ahrens, TJ AF Anderson, W. W. Ahrens, T. J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI PHYSICS OF INTACT CAPTURE OF COMETARY COMA DUST SAMPLES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Foam; Penetration; Polymer ID IMPACT AB The physics of hypervelocity impact into foams are of interest because of application to comet dust capture during flyby encounters. Particles much larger than the foam cells behave as if the foam were a continuum, so that standard equations of fluid mechanics describe the effects of drag and ablation. Calculations based on these arguments accurately reproduce experimental results. C1 [Anderson, W. W.] Los Alamos Natl Lab, MS P952, Los Alamos, NM 87545 USA. [Ahrens, T. J.] CALTECH, Seismol Lab, Pasadena, CA 91125 USA. RP Anderson, WW (reprint author), Los Alamos Natl Lab, MS P952, Los Alamos, NM 87545 USA. FU NASA [NSG-7129, NGL-05-002-105, NNH07AG47I]; DOE [DE-AC52-06NA25396.] FX This work was performed under NASA grants NSG-7129, NGL-05-002-105, and NNH07AG47I and DOE Contract DE-AC52-06NA25396. NR 23 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686417 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300205 ER PT S AU Armstrong, MR Crowhurst, JC Goncharov, AF Zaug, JM Bastea, S Militzer, B AF Armstrong, M. R. Crowhurst, J. C. Goncharov, A. F. Zaug, J. M. Bastea, S. Militzer, B. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK COMPRESSION OF PRECOMPRESSED DEUTERIUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hydrogen; deuterium; dynamic compression; ramp compression; static compression; shock wave AB Here we report quasi-isentropic dynamic compression and thermodynamic characterization of solid, precompressed deuterium over an ultrafast time scale (< 100 ps) and a microscopic length scale (< 1 mu m). We further report a fast transition in dynamically compressed solid deuterium that is consistent with the ramp to shock transition, with a time scale of less than 10 ps. These results suggest that high-density dynamic compression of hydrogen may be possible on microscopic length scales. C1 [Armstrong, M. R.; Crowhurst, J. C.; Zaug, J. M.; Bastea, S.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94551 USA. [Goncharov, A. F.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Militzer, B.] Univ Calif Berkeley, Astron dept, Berkeley, CA 94720 USA. RP Armstrong, MR (reprint author), Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94551 USA. FU LLNL LDRD [05-ERD-039]; US Department of Energy; DTRA Advanced Energetics Program; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported by LLNL LDRD project 05-ERD-039, the US Department of Energy, Office of Basic Energy Sciences via EFREE (H. K. Mao, PI) as part of an Energy Frontier Research Center, and with partial funding from the DTRA Advanced Energetics Program and was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 6 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686397 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300185 ER PT S AU Aslam, TD Gustavsen, RL Sanchez, NJ Bartram, BD AF Aslam, Tariq D. Gustavsen, Richard L. Sanchez, Nathaniel J. Bartram, Brian D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI AN EQUATION OF STATE FOR POLYMETHYLPENTENE (TPX) INCLUDING MULTI-SHOCK RESPONSE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs AB The equation of state (EOS) of polymethylpentene (TPX) is examined through both single shock Hugoniot data as well as more recent multi-shock compression and release experiments. Results from the recent multi-shock experiments on LANL's two-stage gas gun will be presented. A simple conservative Lagrangian numerical scheme utilizing total variation diminishing interpolation and an approximate Riemann solver will be presented as well as the methodology of calibration. It is shown that a simple Mie-Gruneisen EOS based on a Keane fitting form for the isentrope can replicate both the single shock and multi-shock experiments. C1 [Aslam, Tariq D.; Gustavsen, Richard L.; Sanchez, Nathaniel J.; Bartram, Brian D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Aslam, TD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Aslam, Tariq/0000-0002-4263-0401; Gustavsen, Richard/0000-0002-2281-2742 NR 5 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686391 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300179 ER PT S AU Baer, MR Root, S Gustavsen, RL Pierce, T DeFisher, S Travers, B AF Baer, M. R. Root, S. Gustavsen, R. L. Pierce, T. DeFisher, S. Travers, B. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI TEMPERATURE DEPENDENT EQUATION OF STATE FOR HMX-BASED COMPOSITES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Isentropic compression; Z accelerator; polymer binders; energetic composites; CTH modeling AB In order to examine the temperature dependence of the equation of state (EOS) of HMX-based explosives, two energetic composites, PBX9501 and PBXN9, were subjected to shockless compression using the Sandia VELOCE magnetic compression system. Prior to compression, the energetic samples were heated to temperatures up to 155 degrees C, presumed to be below the HMX beta - delta phase transition at atmospheric pressure conditions. A Velocity Interferometer System for Any Reflector (VISAR) was used to measure particle velocity of the transmitted compression wave. Temperature corrections in the drive plates and windows were estimated and velocity profile data was analyzed using forward/backward integration methods along with an optimization method to determine unreacted Mie-Gruneisen EOS parameters. C1 [Baer, M. R.; Root, S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Gustavsen, R. L.; Pierce, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [DeFisher, S.; Travers, B.] US Army ARDEC, Picatinny Arsenal, NJ 07806 USA. RP Baer, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. OI Gustavsen, Richard/0000-0002-2281-2742 FU US Department of Energy's NNSA [DE-AC04-94AL85000]; DoD/DOE MOU JMP program FX Sandia is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energys NNSA under contract DE-AC04-94AL85000 and funding for this work was supported by the DoD/DOE MOU JMP program. NR 9 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686245 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300033 ER PT S AU Balakrishnan, K Bell, JB Kuhl, AL Howard, WM AF Balakrishnan, Kaushik Bell, John B. Kuhl, Allen L. Howard, W. Michael BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RIEMANN SOLVER FOR THE NIGMATULIN MODEL OF TWO-PHASE FLOW SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Two-phase flow; Multiphase flow; Riemann solver; Godunov scheme ID MIXTURE THEORY; DETONATION; TRANSITION; COMBUSTION AB The two-phase model of Nigmatulin (Dynamics of Multiphase Media, 1991) is revisited and a second order Godunov solver is constructed for the corresponding Riemann problem using a seven wave structure. This model differs from the well established Baer-Nunziato model (International J. Multiphase Flow, Vol. 12, No. 6, 1986, pp. 861-889) in that it treats the solid phase as incompressible, and also accounts for thermal as well as elastic energies for the solid phase. Numerical results are presented for three classes of Riemann problems, demonstrating the accuracy of the method. The effect of inter-granular stress on the flow physics is investigated and it is shown that this term results in faster wave speeds for higher stresses. This study confirms that the Nigmatulin model can also be useful for the study of two-phase flows. C1 [Balakrishnan, Kaushik; Bell, John B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Kuhl, Allen L.; Howard, W. Michael] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Balakrishnan, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. FU U.S. Department of Energy at LLNL [DE-AC52-07NA27344]; DTRA FX This research work was supported by U.S. Department of Energy at LLNL under contract DE-AC52-07NA27344, and by DTRA. The work at LBNL was performed under contract number DE-FC02-06ER41438. NR 12 TC 0 Z9 0 U1 2 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686569 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300357 ER PT S AU Barton, N Arsenlis, A Rhee, M Marian, J Bernier, JV Tang, MJ Yang, L AF Barton, Nathan Arsenlis, Athanasios Rhee, Moono Marian, Jaime Bernier, Joel V. Tang, Meijie Yang, Lin BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A MULTI-SCALE STRENGTH MODEL WITH PHASE TRANSFORMATION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Strength; Multi-scale; Phase Transformation; Vanadium AB We present a multi-scale strength model that includes phase transformation. In each phase, strength depends on pressure, strain rate, temperature, and evolving dislocation density descriptors. A donor cell type of approach is used for the transfer of dislocation density between phases. While the shear modulus can be modeled as smooth through the BCC to rhombohedral transformation in vanadium, the multi-phase strength model predicts abrupt changes in the material strength due to changes in dislocation kinetics. In the rhombohedral phase, the dislocation density is decomposed into populations associated with short and long Burgers vectors. Strength model construction employs an information passing paradigm to span from the atomistic level to the continuum level. Simulation methods in the overall hierarchy include density functional theory, molecular statics, molecular dynamics, dislocation dynamics, and continuum based approaches. We demonstrate the behavior of the model through simulations of Rayleigh Taylor instability growth experiments of the type used to assess material strength at high pressure and strain rate. C1 [Barton, Nathan; Arsenlis, Athanasios; Rhee, Moono; Marian, Jaime; Bernier, Joel V.; Tang, Meijie; Yang, Lin] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Barton, N (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 10 TC 3 Z9 3 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686570 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300358 ER PT S AU Belof, JL Cavallo, RM Olson, RT King, RS Gray, GT Holtkamp, DB Chen, SR Rudd, RE Barton, NR Arsenlis, A Remington, BA Park, HS Prisbrey, ST Vitello, PA Bazan, G Mikaelian, KO Comley, AJ Maddox, BR May, MJ AF Belof, Jonathan L. Cavallo, Robert M. Olson, Russell T. King, Robert S. Gray, George T., III Holtkamp, David B. Chen, Shuh-Rong Rudd, Robert E. Barton, Nathan R. Arsenlis, Athanasios Remington, Bruce A. Park, Hye-Sook Prisbrey, Shon T. Vitello, Peter A. Bazan, Grant Mikaelian, Karnig O. Comley, Andrew J. Maddox, Brian R. May, Mark J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RAYLEIGH-TAYLOR STRENGTH EXPERIMENTS OF THE PRESSURE-INDUCED alpha ->epsilon ->alpha ' PHASE TRANSITION IN IRON SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE dynamic experiment; iron; phase transition; strength; proton radiography ID TRANSFORMATIONS; INSTABILITY AB We present here the first dynamic Rayleigh-Taylor (RT) strength measurement of a material undergoing solid-solid phase transition. Iron is quasi-isentropically driven across the pressure-induced bcc (alpha-Fe)-> hcp (epsilon-Fe) phase transition and the dynamic strength of the alpha, epsilon and reverted alpha' phases have been determined via proton radiography of the resulting Rayleigh-Taylor unstable interface between the iron target and high-explosive products. Simultaneous velocimetry measurements of the iron free surface yield the phase transition dynamics and, in conjunction with detailed hydrodynamic simulations, allow for determination of the strength of the distinct phases of iron. Forward analysis of the experiment via hydrodynamic simulations reveals significant strength enhancement of the dynamically-generated e-Fe and reverted alpha'-Fe, compareable in magnitude to the strength of austenitic stainless steels. C1 [Belof, Jonathan L.; Cavallo, Robert M.; Rudd, Robert E.; Barton, Nathan R.; Arsenlis, Athanasios; Remington, Bruce A.; Park, Hye-Sook; Prisbrey, Shon T.; Vitello, Peter A.; Bazan, Grant; Mikaelian, Karnig O.; Maddox, Brian R.; May, Mark J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Olson, Russell T.; King, Robert S.; Gray, George T., III; Holtkamp, David B.; Chen, Shuh-Rong] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Comley, Andrew J.] Atom Weapons Estab, Reading, Berks RG7 4PR, England. RP Belof, JL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 15 TC 1 Z9 1 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686572 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300360 ER PT S AU Boettger, JC Honnell, KG Peterson, JH Greeff, CW Crockett, SD AF Boettger, Jonathan C. Honnell, Kevin G. Peterson, Jeffrey H. Greeff, Carl W. Crockett, Scott D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI TABULAR EQUATION OF STATE FOR GOLD SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Gold; equation of state; Hugoniot; diamond anvil cell; thermal expansion; heat capacity; melt ID NONHYDROSTATIC COMPRESSION; PRESSURE SCALE; EARTHS MANTLE; COPPER; GPA; SILVER; TEMPERATURE; DIFFRACTION; PLATINUM; SOLIDS AB A new, SESAME-type equation of state (EOS), suitable for use in hydrodynamic calculations, is described for gold. Pressures, internal energies, and Helmholtz free energies are tabulated on a rectangular temperature-and-density grid, spanning densities from 0 - 36 g/cc, temperatures from 0 - 800 eV, and extending up to pressures of 800 GPa. The EOS is constructed using the standard decomposition of the pressure into a static-lattice cold curve, a thermal nuclear contribution, and a thermal electronic contribution. The cold curve is derived from existing diamond-anvil-cell measurements, the thermal nuclear contribution from the Johnson model, and the thermal electronic contribution using Thomas-Fermi-Dirac theory. Predictions of the new EOS (SESAME 2705) for the cold curve, room-temperature isotherm, principal Hugoniot, thermal expansion, heat capacity, melt line, and vapor pressure compare favorably with experimental data and are superior to the EOS currently available in the SESAME library (SESAME 2700). C1 [Boettger, Jonathan C.; Honnell, Kevin G.; Peterson, Jeffrey H.; Greeff, Carl W.; Crockett, Scott D.] Los Alamos Natl Lab, Computat Phys Div, MS F663, Los Alamos, NM 87545 USA. RP Honnell, KG (reprint author), Los Alamos Natl Lab, Computat Phys Div, MS F663, Los Alamos, NM 87545 USA. EM kgh@lanl.gov RI Greeff, Carl/N-3267-2013; Peterson, Jeffrey/N-6668-2016; OI Peterson, Jeffrey/0000-0001-9425-4674; Greeff, Carl/0000-0003-0529-0441 FU U.S. Dept. of Energy [DE-AC52-06NA25396.] FX Los Alamos National Laboratory is operated by Los Alamos National. Security, LLC, for the U.S. Dept. of Energy under contract DE-AC52-06NA25396. NR 43 TC 4 Z9 5 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686402 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300190 ER PT S AU Bolme, CA Smith, RF McGrane, SD Moore, DS Collins, GW AF Bolme, C. A. Smith, R. F. McGrane, S. D. Moore, D. S. Collins, G. W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI COHERENT ANTI-STOKES RAMAN SCATTERING OF LASER SHOCK COMPRESSED alpha-QUARTZ SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Coherent anti-Stokes Raman scattering; quartz; amorphization ID VITREOUS SILICA; 60 KBAR; Z-CUT; AMORPHIZATION; PRESSURE AB We have developed the capability to perform in situ coherent anti-Stokes Raman scattering (CARS) spectroscopy on materials that are dynamically compressed using the Janus laser at Lawrence Livermore National Laboratory. We measured the CARS spectrum of alpha-quartz that was shocked above the Hugoniot elastic limit along the c-axis to 19.0 GPa. These data show that the Si-O-Si angle, which is natively 144 becomes a distribution of angles ranging from 139 to 146. The data also observe a significant increase in the broad peak above 600 cm(-1) that is attributed to defects in amorphous silica. Previous studies have shown these features in shock recovered alpha-quartz samples that have undergone varying amounts of amorphization, and these data show strong evidence of amorphization of quartz at a pressure below that of the amorphization observed in the shock-recovered samples. C1 [Bolme, C. A.; McGrane, S. D.; Moore, D. S.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Smith, R. F.; Collins, G. W.] Lawrence Livermore Natl Lab, Shock Phys, Livermore, CA 94550 USA. RP Bolme, CA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Moore, David/C-8692-2013; OI Mcgrane, Shawn/0000-0002-2978-3980 NR 16 TC 3 Z9 3 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686586 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300374 ER PT S AU Brandl, C Germann, TC AF Brandl, Christian Germann, Timothy C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK LOADING AND RELEASE OF A SMALL ANGLE TILT GRAIN BOUNDARY IN CU SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; dynamic loading; Cu ID MOLECULAR-DYNAMICS; SIMULATION AB Molecular dynamics simulations are performed to study the response of a dislocation tilt wall in Cu subjected to dynamic shock compression and release. We introduce a boundary condition for modeling the dynamics of a single interface subject to uniaxial loading parallel to the interface, avoiding artifacts from either periodic boundaries or free surfaces. The microstructure response for the small angle tilt boundary considered here is analyzed in terms of dislocation-dislocation interactions and the restoring forces which enable reversible dislocation motion upon release. C1 [Brandl, Christian; Germann, Timothy C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Brandl, C (reprint author), Los Alamos Natl Lab, Div Theoret, T-1, Los Alamos, NM 87545 USA. RI Brandl, Christian/C-6405-2009; OI Brandl, Christian/0000-0003-1587-4678; Germann, Timothy/0000-0002-6813-238X NR 16 TC 0 Z9 0 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686519 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300307 ER PT S AU Briggs, ME Faulkner, J Hull, LM Shinas, MA AF Briggs, M. E. Faulkner, J. Hull, L. M. Shinas, M. A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI VELOCITY SPECTRA FROM EXPLOSIVELY DRIVEN POWDERS AND BALLS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Velocity Spectra; powder; rubble AB The capability to measure velocity distributions using Photon Doppler Velocimetry (PDV) has given rise to much data that were not measurable with previous velocimetry techniques. In our PDV measurements on explosively driven metals, we have often seen a single velocity disappear in a wide distribution of velocities. We have attributed this to HE gases, metal pieces, or a mix emerging from cracks in the metal after it fails. However, we are unaware of any experiments that demonstrate this interpretation. We have applied X-rays, cameras and PDV to explosively driven powders, balls and brass rings and found PDV spectra similar to what we observed in our experiments in which the metal fails. We present these spectra to help workers interpret their velocity spectra. C1 [Briggs, M. E.; Faulkner, J.; Hull, L. M.; Shinas, M. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Briggs, ME (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 2 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686301 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300089 ER PT S AU Brundage, AL Gump, JC AF Brundage, A. L. Gump, J. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MODELING COMPRESSIVE REACTION AND ESTIMATING MODEL UNCERTAINTY IN SHOCK LOADED POROUS SAMPLES OF HEXANITROSTILBENE (HNS) SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Energetic materials; shock initiation; deflagration-to-detonation transition; EOS; CTH AB Neat pressings of HNS powders have been used in many explosive applications for over 50 years. However, characterization of its crystalline properties has lagged that of other explosives, and the solid stress has been inferred from impact experiments or estimated from mercury porosimetry. This lack of knowledge of the precise crystalline isotherm can contribute to large model uncertainty in the reacted response of pellets to shock impact. At high impact stresses, deflagration-to-detonation transition (DDT) processes initiated by compressive reaction have been interpreted from velocity interferometry at the surface of distended HNS-FP pellets. In particular, the Baer-Nunziato multiphase model in CTH, Sandia's Eulerian, finite volume shock propagation code, was used to predict compressive waves in pellets having approximately a 60% theoretical maximum density (TMD). These calculations were repeated with newly acquired isothermal compression measurements of fine-particle HNS using diamond anvil cells to compress the sample and powder x-ray diffraction to obtain the sample volume at each pressure point. Hence, estimating the model uncertainty provides a simple method for conveying the impact of future model improvements based upon new experimental data. C1 [Brundage, A. L.] Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. [Gump, J. C.] US Navy, Surface Warhead Ctr, Indian Head, MD 20640 USA. RP Brundage, AL (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. FU Sandia's ASC PEM program; Sandia National Laboratories is a multi-program laboratory; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The computational work was funded by Sandias ASC P&EM program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 16 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686333 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300121 ER PT S AU Buttler, WT Oro, DM Preston, DL Mikaelian, KO Cherne, FJ Hixson, RS Mariam, FG Morris, C Stone, JB Terrones, G Tupa, D AF Buttler, W. T. Oro, D. M. Preston, D. L. Mikaelian, K. O. Cherne, F. J. Hixson, R. S. Mariam, F. G. Morris, C. Stone, J. B. Terrones, G. Tupa, D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE STUDY OF HIGH-SPEED SURFACE DYNAMICS USING A PULSED PROTON BEAM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Ejecta; Ejecta modeling; Richtmyer-Meshkov instability; Proton Radiograhy ID INSTABILITY; TAYLOR; FLUIDS AB We present experimental results supporting physics based ejecta model development, where we assume ejecta form as a special limiting case of a Richtmyer-Meshkov (RM) instability with Atwood number A = -1. We present and use data to test established RM spike and bubble growth rate theory through application of modern laser Doppler velocimetry techniques applied in a novel manner to coincidentally measure bubble and spike velocities from shocked metals. We also explore the link of ejecta formation from a solid material to its plastic flow stress at high-strain rates (10(7)/s) and high strains (700%). C1 [Buttler, W. T.; Oro, D. M.; Hixson, R. S.; Mariam, F. G.; Morris, C.; Stone, J. B.; Tupa, D.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. RP Buttler, WT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. OI Terrones, Guillermo/0000-0001-8245-5022; Morris, Christopher/0000-0003-2141-0255; Tupa, Dale/0000-0002-6265-5016; Cherne, Frank/0000-0002-8589-6058 NR 14 TC 7 Z9 7 U1 3 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686446 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300234 ER PT S AU Carpenter, JH AF Carpenter, John H. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ADAPTIVE TABULATION FOR VERIFIED EQUATIONS OF STATE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE equation of state; adaptive tabulation; verification AB A new adaptive tabulation scheme for multi-phase equations of state (EOS) is described. Adaptation allows verification that a table represents an EOS model to some desired accuracy at a much lower computational cost than standard tables. Computational efficiency is provided through the use of a quad-tree representation. Using both rectangular and triangular interpolation regions results in accurate descriptions of phase boundaries. The new format is demonstrated on a representative multi-phase EOS model. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Carpenter, JH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 9 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686401 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300189 ER PT S AU Cawkwell, MJ Sanville, EJ Mniszewski, SM Niklasson, AMN AF Cawkwell, M. J. Sanville, E. J. Mniszewski, S. M. Niklasson, A. M. N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SELF-CONSISTENT TIGHT-BINDING MOLECULAR DYNAMICS SIMULATIONS OF SHOCK-INDUCED REACTIONS IN HYDROCARBONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; self-consistent tight-binding; shock chemistry; hydrocarbons AB A series of reactive molecular dynamics (MD) simulations of the shock compression of liquid ethane and ethene have been performed using a self-consistent tight-binding (SC-TB) model for hydrocarbons. We employ a recursive purification algorithm for the computation of the density matrix that enables a rapid evaluation of interatomic forces using dense matrix algebra on graphics processing units (GPUs) or sparse matrix algebra for O(N) performance. We achieve a precise long-term conservation of the total energy during microcanonical MD by propagating self-consistently calculated quantities using the extended Lagrangian Born-Oppenheimer MD scheme. No shock-induced reactions were observed during our simulations of liquid ethane, but liquid ethene underwent radical chain polymerization reactions under relatively weak shocks. C1 [Cawkwell, M. J.; Sanville, E. J.; Mniszewski, S. M.; Niklasson, A. M. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cawkwell, MJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Mniszewski, Susan/0000-0002-0077-0537; Cawkwell, Marc/0000-0002-8919-3368 NR 14 TC 2 Z9 2 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686518 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300306 ER PT S AU Chellappa, RS Dattelbaum, DM Sheffield, S Robbins, D AF Chellappa, Raja S. Dattelbaum, Dana M. Sheffield, Stephen Robbins, David BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI PRESSURE-INDUCED POLYMERIZATION IN SUBSTITUTED ACETYLENES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE High Pressure; X-ray Diffraction; Polymerization Reactions; Substituted Acetylenes AB A fundamental understanding of shock-induced chemical reactions in organics is still lacking and there are limited studies devoted to determining reaction mechanisms, evolution of bonding, and effect of functional group substitutions. The fast timescale of reactions occurring during shock compression create significant experimental challenges (diagnostics) to fully quantify the mechanisms involved. Static compression combined with temperature provides a complementary route to investigate the equilibrium phase space and metastable intermediates under extreme P-T conditions. In this study, we present our results from our ongoing high pressure in situ synchrotron x-ray diffraction experiments on substituted acetylenes: tert-butyl acetylene [TBA: (CH3)(3)-C CH] and ethynyl trimethylsilane [ETMS: (CH3)(3)-SiC CH]. We observed that the onset pressure of chemical reactions (at room temperature) in these compounds is higher under static compression (TBA: 12 GPa and ETMS: 17.6 GPa) when compared to shock input pressures (TBA: 6.1 GPa and ETMS: 6.6 GPa). At elevated temperatures, reactivity was observed to occur at pressures comparable to shock conditions. The products were polymeric in nature, recovered to ambient conditions with little degradation. C1 [Chellappa, Raja S.; Dattelbaum, Dana M.; Sheffield, Stephen; Robbins, David] Los Alamos Natl Lab, Shock & Detonat Phys WX 9, Los Alamos, NM 87545 USA. RP Chellappa, RS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys WX 9, POB 1663, Los Alamos, NM 87545 USA. NR 5 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686548 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300336 ER PT S AU Cheng, BL Glimm, J Sharp, DH Lim, H AF Cheng, Baolian Glimm, J. Sharp, D. H. Lim, H. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MODELING TURBULENT MIXING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hydrodynamic instabilities; turbulent mix ID RAYLEIGH-TAYLOR; DEPENDENCE AB Fluid mixing is an important phenomenon in many physical applications from supernova explosions to genetic structure formations. Moving interfaces between distinct fluids in a multi-fluid system are often unstable. Small perturbations at such interfaces grow as a result of nonlinear hydrodynamic processes, and evolve into turbulent mixing regions. In this work, we present theoretical models to predict the mixing growth rates and numerical simulations for the chaotic mixing fluids. Our results are in good agreement with experiments. C1 [Cheng, Baolian; Sharp, D. H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Glimm, J.; Lim, H.] Univ Stony Brook, Dept Appl Math & Stat, New York, NY 11794 USA. RP Cheng, BL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. FU U.S. Department of Energy by the Los Alamos National Laboratory [W-7405-ENG-36] FX This work was performed under the auspices of the U.S. Department of Energy by the Los Alamos National Laboratory under contract numberW-7405-ENG-36. NR 15 TC 0 Z9 0 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686593 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300381 ER PT S AU Cherne, FJ Dimonte, G Germann, TC AF Cherne, Frank J. Dimonte, Guy Germann, Timothy C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RICHTMYER-MESHKOV INSTABILITY EXAMINED WITH LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Richtmyer-Meshkov instability; ejecta formation; molecular dynamics; copper ID SURFACES; METALS; EJECTA AB We have performed a series of large-scale classical molecular dynamics simulations with nearly 54 million atoms to examine the development of the Richtmyer-Meshkov (RM) instability. The calculations utilize an embedded atom method potential for copper, and were performed at shock pressures between 82 GPa and 401 GPa, which is both above and below the melt transition. A sinusoidal profile with a 257 nm wavelength and varying amplitudes was created on the free surface to study how the spikes and the bubbles grow as a function of amplitude and shock strength. For conditions where the copper is melted, we observe the growth of the RM instability into bubbles and spikes similar to fluid simulations. At conditions below the melt transition, certain amplitudes showed a series of accelerations/decelerations in the growth of the spike until a complete arrest of the spike growth occurred due to the underlying strength of the material. C1 [Cherne, Frank J.; Dimonte, Guy; Germann, Timothy C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cherne, FJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Germann, Timothy/0000-0002-6813-238X; Cherne, Frank/0000-0002-8589-6058 NR 17 TC 2 Z9 2 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686521 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300309 ER PT S AU Chidester, SK Garcia, F Vandersall, KS Tarver, CM Ferranti, L AF Chidester, Steven K. Garcia, Frank Vandersall, Kevin S. Tarver, Craig M. Ferranti, Louis, Jr. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI LOW VELOCITY IMPACT EXPERIMENTS ON THE EXPLOSIVE LX-10 WITH MODELING OF REACTION VIOLENCE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Explosive; HMX-based; LX-10; low velocity impact; reaction violence AB A new gas gun capability designed for the velocity range of similar to 20-400 m/s was used to study the mechanisms of low-velocity impact ignition and reaction violence of explosive targets in safety studies. Hemispherical charges of the HMX-based explosive LX-10 (95% HMX, 5% Viton binder) assembled in a polycarbonate target ring were impacted by a 6.35 mm diameter hardened steel rod protruding from a projectile at velocities ranging from 36 to 374 m/s. Digital high-speed (Phantom v12) cameras were utilized to capture the times of first ignition and a Photonic Doppler Velocimetry (PDV) probe placed at the rear of the target was used to measure the free surface velocity histories of an aluminum foil on the LX-10 surface to quantify the resulting reaction violence. The Ignition and Growth reactive flow model for LX-10 was used to compare the relative violence of these reactions to the intentional detonation of an equivalent LX-10 charge. It was found that comparing the model results to that of the experiment using this impactor geometry within the tested velocity range, the reaction violence increased with velocity from 45-374 m/s and only a small fraction of material appears to react during the impact. C1 [Chidester, Steven K.; Garcia, Frank; Vandersall, Kevin S.; Tarver, Craig M.; Ferranti, Louis, Jr.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Chidester, SK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 9 TC 0 Z9 0 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686356 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300144 ER PT S AU Clements, BE Thompson, DG Luscher, DJ DeLuca, R Brown, GW AF Clements, B. E. Thompson, D. G. Luscher, D. J. DeLuca, R. Brown, G. W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI TAYLOR IMPACT TESTS AND SIMULATIONS OF PLASTIC BONDED EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Taylor Impact; PBX 9501; PBXN-9; ABAQUS; Fracture; Fragmentation AB Taylor impact tests were conducted on plastic bonded explosives PBX 9501 and PBXN-9 for impact velocities between 80 and 214 m/s. High-speed photography was used to image the impact event at a rate of one frame for every 25 mu s. For early times, PBXN-9 showed large-deformation mushrooming of the explosive cylinders, followed by fragmentation by an amount proportional to the impact speed, was observed at all velocities. PBX 9501 appeared to be more brittle than PBXN-9, the latter demonstrated a more viscoelastic response. The post-shot fragments were collected and particle size distributions were obtained. The constitutive model ViscoSCRAM was then used to model the Taylor experiments using the finite element code ABAQUS. Prior to the Taylor simulations, ViscoSCRAM was parameterized for the two explosives using uniaxial stress-strain data. Simulating Taylor impact tests validates the model in situations undergoing extreme damage and fragmentation. C1 [Clements, B. E.; Thompson, D. G.; Luscher, D. J.; DeLuca, R.; Brown, G. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Clements, BE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Clements, Brad/0000-0002-9664-637X NR 5 TC 1 Z9 1 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686365 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300153 ER PT S AU Cochrane, KR Desjarlais, MP Mattsson, TR AF Cochrane, Kyle R. Desjarlais, Michael P. Mattsson, Thomas R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DENSITY FUNCTIONAL THEORY (DFT) SIMULATIONS OF POLYETHYLENE: PRINCIPAL HUGONIOT, SPECIFIC HEATS, COMPRESSION AND RELEASE ISENTROPES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE EOS; DFT; Polyethylene; Dissociation ID AUGMENTED-WAVE METHOD AB An accurate equation of state (EOS) for polyethylene is required in order to model high energy density experiments for CH2 densities above 1 g/cc, temperatures above 1 eV, and pressures above 1 Mbar. Density Functional Theory (DFT) based molecular dynamics has been established as a method capable of yielding high fidelity results for many materials at a wide range of pressures and temperatures and has recently been applied to complex polymers such as polyethylene [1]. Using high density polyethylene as the reference state, we compute the principal Hugoniot to 350 GPa, compression isentrope, and several release isentropes from states on the principal Hugoniot. We also calculate the specific heat and the dissociation along the Hugoniot. Our simulation results are validated by comparing to experimental data [2, 3] and then used to construct a wide range EOS. C1 [Cochrane, Kyle R.] Raytheon Ktech Corp, Albuquerque, NM 87123 USA. [Desjarlais, Michael P.; Mattsson, Thomas R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cochrane, KR (reprint author), Raytheon Ktech Corp, Albuquerque, NM 87123 USA. 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 Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 12 TC 5 Z9 5 U1 2 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686512 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300300 ER PT S AU Cooper, MA Trott, WM Schmitt, RG Short, M Jackson, SI AF Cooper, M. A. Trott, W. M. Schmitt, R. G. Short, M. Jackson, S. I. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ANFO RESPONSE TO LOW-STRESS PLANAR IMPACTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ORVIS; interferometry; impact: velocity AB Ammonium Nitrate plus Fuel Oil (ANFO) is a non-ideal explosive where the mixing behavior of the mm-diameter prills with the absorbed fuel oil is of critical importance for chemical energy release. The large-scale heterogeneity of ANFO establishes conditions uniquely suited for observation using the spatially-and temporally-resolved line-imaging ORVIS (Optically Recording Velocity Interferometer System) diagnostic. The first demonstration of transmitted wave profiles in ANFO from planar impacts using a single-stage gas gun is reported. Major observations including an extended compaction precursor, post-shock particle velocity variations and between-prill jetting are reported. C1 [Cooper, M. A.; Trott, W. M.; Schmitt, R. G.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Short, M.; Jackson, S. I.] Los Alamos Natl Lab, Shock & Detonat Phys, Los Alamos, NM 87544 USA. RP Cooper, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. OI Jackson, Scott/0000-0002-6814-3468 FU Sandia National Laboratories is a multiprogram laboratory; Sandia Corporation,; Lockheed Martin Company,; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; [LA-UR 11-04325] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energys National Nuclear Security Administration under Contract DE-AC04-94AL85000. Approved forpublic release, LA-UR 11-04325. NR 7 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686349 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300137 ER PT S AU Cooper, MA Trott, WM AF Cooper, M. A. Trott, W. M. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ON THE DEVELOPMENT OF AN IMPACT-LOADED WEDGE TEST USING ORVIS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ORVIS; interferometry; impact: velocity AB Experiments using a wedge-shaped explosive sample shocked with an attenuator-explosive booster are historically used to provide data for fitting an empirical relationship between the input stress and shock-to-detonation run distance. Recent problems with plane wave lens availability and increased needs for characterizing novel explosive formulations have highlighted the need for a modernized approach to traditional wedge tests. We present our concept of an impact-loaded wedge test which uses a gas gun, a wedge-shaped explosive sample and the line-imaging ORVIS (Optically Recording Velocity Interferometer System) diagnostic. The ORVIS optical configuration is modified from the standard configuration to project the laser line onto the inclined surface of the wedge-shaped sample where the return light is collected with a streak camera. Initial data of shock breakout in inert samples are presented. C1 [Cooper, M. A.; Trott, W. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cooper, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686310 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300098 ER PT S AU Curtis, JP Jones, AG Hughes, CT Reaugh, JE AF Curtis, J. P. Jones, A. G. Hughes, C. T. Reaugh, J. E. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MODELING VIOLENT REACTION FOLLOWING LOW SPEED IMPACT ON CONFINED EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Low speed impact; high explosive; violent reaction; Steven Test; friction; ignition AB To ensure the safe storage and deployment of explosives it is important to understand the mechanisms that give rise to ignition and reaction growth in low speed impacts. The High Explosive Response to Mechanical Stimulus (HERMES) material model, integrated in the Lagrangian code LS-DYNA, has been developed to model the progress of the reaction after such an impact. The low speed impact characteristics of an HMX based formulation have been examined using the AWE Steven Test. Axisymmetric simulations of an HMX explosive in the AWE Steven Test have been performed. A sensitivity study included the influence of friction, mesh resolution, and confinement. By comparing the experimental and calculated results, key model parameters which determine the explosive's response in this configuration have been identified. The model qualitatively predicts the point of ignition within the vehicle. Future refinements are discussed. C1 [Curtis, J. P.; Jones, A. G.; Hughes, C. T.] AWE Aldermaston, Reading RG7 4PR, Berks, England. [Reaugh, J. E.] LLNL, Livermore, CA 94551 USA. RP Curtis, JP (reprint author), AWE Aldermaston, Reading RG7 4PR, Berks, England. FU US DOE; LLNL [DEAC52- 07NA27344]; US DoD/DOE Munitions Technology Development Program FX JERs activity was performed under the auspices of the US DOE by LLNL under Contract DEAC52- 07NA27344, and partially funded by the Joint US DoD/DOE Munitions Technology Development Program. NR 8 TC 1 Z9 1 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686367 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300155 ER PT S AU Dattelbaum, DM Sheffield, SA AF Dattelbaum, Dana M. Sheffield, Stephen A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK-INDUCED CHEMICAL REACTIONS IN SIMPLE ORGANIC MOLECULES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock-induced reactions; high-pressure chemistry; shock compression; equation-of-state ID LIQUID CARBON-DISULFIDE; COMPRESSION DATA; HIGH-PRESSURE; SPECTROSCOPY; INFORMATION AB Interrogating chemical reactions behind a shock front is immensely difficult and, as a result, the details of shock-induced chemistry remain poorly understood. Previous research has shown that dimerizations, polymerizations, ring-opening and decomposition reactions can occur under shock compression, depending on molecular structure. Questions regarding the thresholds for incipient reaction, the nature of first and subsequent reaction steps, and the influence of shock input conditions on reaction kinetics remain to be answered. Here, we have applied in-situ electromagnetic gauging at multiple Lagrangian positions to elucidate the evolution of multiple-wave structures associated with shock-induced reactions of several simple functional groups: carbon-carbon double (-C=C-) and triple bonds, and nitriles. The relative order of group reactivity under single shock conditions for these simple molecules is discussed. From measurements of the reactive flow, we have obtained detailed information about the temporal evolution of the waves, and global kinetic rates associated with transformation(s) between partially-and fully-reacted states. Near the reactive thresholds, evolution in particle velocities point to reaction timescales on the order of tens-to-hundreds of nanoseconds. C1 [Dattelbaum, Dana M.; Sheffield, Stephen A.] Los Alamos Natl Lab, Shock & Detonat Phys WX 9, Los Alamos, NM 87545 USA. RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys WX 9, MS P952, Los Alamos, NM 87545 USA. NR 27 TC 3 Z9 3 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686357 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300145 ER PT S AU Dennis-Koller, D Escobedo-Diaz, JP Cerreta, EK Bronkhorst, CA Hansen, B Lebensohn, R Mourad, H Patterson, B Tonks, D AF Dennis-Koller, D. Escobedo-Diaz, J. P. Cerreta, E. K. Bronkhorst, C. A. Hansen, B. Lebensohn, R. Mourad, H. Patterson, B. Tonks, D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI CONTROLLED SHOCK LOADING CONDITIONS FOR MICRSTRUCTURAL CORRELATION OF DYNAMIC DAMAGE BEHAVIOR SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE spall; fracture; OFHC Cu; soft recovery; shock wave shape ID FRACTURE; METALS; SPALL AB Materials performance is recognized as being central to many emergent technologies. Future technologies will place increasing demands on materials performance with respect to extremes in stress, strain, temperature, and pressure. In this study, the dynamic ductile damage evolution of OFHC Cu is explored as a test bed to understand the role of spatial effects due to loading profile and defect density. Well-characterized OFHC Cu samples of 30 mu m, 60 mu m, 100 mu m, and 200 mu m grain sizes were subjected to plate impact uniaxial strain loading at 1.5 GPa. This spall geometry produced early stage (incipient) damage in the Cu samples that could be correlated to microstructural features in metallographic analysis. The recovered damaged microstructure was examined using traditional 2D metallographic techniques (optical and electron microscopy) as well as 3D x-ray microtomography. Calculated spall strength from the free surface velocimetry (VISAR) showed no change with respect to changes in grain size, however, the magnitude of the peak after the first pull-back as well as rate of re-acceleration are dependent on grain size and can be correlated to damage observed in the recovered samples. These results reveal a critical length scale for the transition from a nucleation dominated regime to a growth dominated regime for the damage evolution process. The results show that for samples with small (30 mu m) and large (200 mu m) grain sizes the growth of voids is dominated by coalescence, whereas for medium (60 mu m and 100 mu m) grain sizes the growth is restricted to a much slower process of individual void growth. Electron backscatter diffraction reveals that voids preferentially nucleate at grain boundaries with high misorientation angles while special boundaries (low angle Sigma 1 and high angle Sigma 3) proved to be resistant to void nucleation. Based on these findings, mechanisms for the void nucleation/growth and coalescence are proposed. C1 [Dennis-Koller, D.; Escobedo-Diaz, J. P.; Cerreta, E. K.; Bronkhorst, C. A.; Hansen, B.; Lebensohn, R.; Mourad, H.; Patterson, B.; Tonks, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dennis-Koller, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Bronkhorst, Curt/B-4280-2011; Escobedo, Juan/J-9077-2012; Lebensohn, Ricardo/A-2494-2008; OI Bronkhorst, Curt/0000-0002-2709-1964; Lebensohn, Ricardo/0000-0002-3152-9105; Escobedo-Diaz, Juan/0000-0003-2413-7119; Patterson, Brian/0000-0001-9244-7376 NR 10 TC 1 Z9 1 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686525 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300313 ER PT S AU Erskine, DJ AF Erskine, David J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RECOVERING A SHORT TIMESCALE SIGNAL FROM A PAIR OF LONG-DELAY VISARS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE VISAR; velocity interferometry ID INTERFEROMETER AB We introduce the benefits of analyzing VISAR data in the Fourier domain, particularly for recovering the short time scale signal component. In particular, by combining data from two VISARS having different long delays, we effectively reproduce the short time resolution ability of a short delay while retaining the superior sensitivity to absolute velocity of a long delay. Two different delays are generally desired, not only to untangle integer fringe skips, but to circumvent the fact that a single VISAR cannot record signal components of frequencies periodic with its reciprocal delay. Combining two different delays solves this. We treat the VISARs as linear filters and process and combine the signals in the Fourier domain with a direct equation, without any iteration of time-retarded equations. The technique is demonstrated with a numerical simulation. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Erskine, DJ (reprint author), Lawrence Livermore Natl Lab, L-487, Livermore, CA 94550 USA. EM erskine1@llnl.gov NR 5 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686308 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300096 ER PT S AU Erskine, DJ Smith, RF Bolme, C Celliers, P Collins, G AF Erskine, David J. Smith, R. F. Bolme, C. Celliers, P. Collins, G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI TWO-DIMENSIONAL IMAGING VELOCITY INTERFEROMETRY: TECHNIQUE AND DATA ANALYSIS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE VISAR; velocity interferometry AB We describe the data analysis procedures for an emerging interferometric technique for measuring motion across a two-dimensional image at a moment in time, i.e. a snapshot 2d-VISAR. C1 [Erskine, David J.; Smith, R. F.; Bolme, C.; Celliers, P.; Collins, G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Erskine, DJ (reprint author), Lawrence Livermore Natl Lab, L-487, Livermore, CA 94550 USA. EM erskine1@llnl.gov OI Bolme, Cynthia/0000-0002-1880-271X NR 9 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686294 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300082 ER PT S AU Fensin, SJ Cerreta, EK Escobedo, JP Gray, GT Farrow, A Trujillo, CP Lopez, MF AF Fensin, S. J. Cerreta, E. K. Escobedo, J. P. Gray, G. T., III Farrow, A. Trujillo, C. P. Lopez, M. F. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE ROLE OF INTERFACES ON DYNAMIC DAMAGE IN TWO PHASE METALS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Grain Boundary; Dynamic damage; Alloy ID EVOLUTION; COPPER AB For ductile metals, the process of dynamic fracture during shock loading is thought to occur through nucleation of voids, void growth, and then coalescence that leads to material failure. Particularly for high purity metals, it has been observed by numerous investigators that voids appear to heterogeneously nucleate at grain boundaries. However, for materials of engineering significance, those with inclusions, second phase particles, or chemical banding it is less clear what the role of grain boundaries versus other types of interfaces in the metal will be on nucleation of damage. To approach this problem in a step-wise fashion two materials have been investigated: high purity copper, and copper with 1% lead. These materials have been shock loaded at 1.4 GPa and soft recovered. In-situ VISAR and post mortem metallography reveals significantly less damage in the metals with no lead. The role of lead at grain boundary triple points and its behavior during shock loading will be discussed. C1 [Fensin, S. J.; Cerreta, E. K.; Escobedo, J. P.; Gray, G. T., III; Trujillo, C. P.; Lopez, M. F.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87544 USA. [Farrow, A.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Fensin, SJ (reprint author), Los Alamos Natl Lab, MST 8, Los Alamos, NM 87544 USA. RI Escobedo, Juan/J-9077-2012; OI Escobedo-Diaz, Juan/0000-0003-2413-7119 FU DOD/DOE Joint Munitions program FX Funding was provided by DOD/DOE Joint Munitions program. NR 7 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686523 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300311 ER PT S AU Fenton, G Grady, D Vogler, T AF Fenton, Gregg Grady, Dennis Vogler, Tracy BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI INTENSE SHOCK COMPRESSION OF POROUS SOLIDS: APPLICATION TO WC AND TA(2)O(5) SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE equation of state; high-pressure effects; porous materials; numerical modeling ID EQUATION; STATE AB The intense shock states achievable within granular or porous solids can be quantified through the application of continuum thermodynamic models. Here emphasis is on distended and granular solids for the purpose of calculating compression paths. In the present paper thermo-physical relations are developed and applied to the shock compression of aerogels and powders. These materials were selected because of previous studies available in the literature and recent high-pressure test results obtained at the Sandia National Laboratories Z-Machine. The relations developed herein have been implemented in the Sandia Laboratories CTH code, specifically within a newly modified version of the P-lambda equation of state. Analytic equations of state similar to P-lambda are usually considered inefficient for hydrocode computation because of the many sub-cycle calculations needed to determine the pressure. However, the main advantage of this newly modified EOS is it allows for the easy creation of novel heterogeneous mixture models, which are usable from the low-pressure crush-up response to extreme pressure states. Comparison between numerical simulation using the new model and experimental data shows good agreement. C1 [Fenton, Gregg; Grady, Dennis] Appl Res Associates, 4300 San Mateo Blvd,Suite A-220, Albuquerque, NM 87110 USA. [Vogler, Tracy] Sandia Natl Labs, Solid Dynam & Energet Mat Dept, Livermore, CA 94550 USA. RP Fenton, G (reprint author), Appl Res Associates, 4300 San Mateo Blvd,Suite A-220, Albuquerque, NM 87110 USA. FU Sandia National Labratories [PO 861392] FX We gratefully acknowledge the support granted under Contract PO 861392 from Sandia National Labratories. NR 8 TC 0 Z9 0 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686558 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300346 ER PT S AU Francois, EG Sanders, VE Morris, JS AF Francois, E. G. Sanders, V. E. Morris, J. S. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI FRONT CURVATURE AND RATE STICK DATA ON FORMULATIONS CONTAINING DAAF, TATB, RDX AND HMX INCLUDING DIAMETER AND TEMPERATURE EFFECTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Front curvature; DAAF; PBXN-7; LAX; Cold temperature performance AB A test series was conducted on formulations containing TATB and RDX (PBXN-7), TATB and HMX (PBXW-14) and DAAF and HMX where corner turning and detonation propagation data were measured. Corner turning is a function of temperature and can be used to evaluate the completeness of explosive work. In order to show cold temperature performance behavior, this test was developed to compare the front curvature of these materials at a variety of diameters, explosive compositions, and temperatures. Shots were fired at ambient and -55 degrees C. The test apparatus developed for this lends itself to streak imaging across the pellet face, and time of arrival scope data from magnet wire embedded between the pellets. The test set up, fixturing and data analysis will be discussed. The results of the shots showed interesting diameter effects on the detonation velocity of the formulations and gave an excellent comparison of the relative curvatures as a function of temperature. C1 [Francois, E. G.; Sanders, V. E.; Morris, J. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Francois, EG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 5 TC 0 Z9 0 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686346 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300134 ER PT S AU Fredenburg, DA Dennis-Koller, D Dattelbaum, DM AF Fredenburg, D. Anthony Dennis-Koller, Darcie Dattelbaum, Dana M. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK CONSOLIDATION RESPONSE OF CeO2 POWDERS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock waves; powder compaction; compaction modeling; metal oxide ID DUCTILE POROUS MATERIALS AB The compaction response of CeO2 powders with two distinct morphologies ranging in size from 300 nm to 10-14 mu m are investigated through quasi-static and dynamic compaction experiments. In the quasistatic and low pressure dynamic regimes the high aspect ratio 10-14 mu m particles exhibit a measurably stiffer response. However, as pressure increases in the dynamic regime a transition occurs suggesting shape effects dominate at low pressures while particle size becomes more important at higher pressures. Transmitted wave profiles are examined, and suggest non-equilibrium processes may occur following the initial compaction front. Furthermore, three formulations of the P-alpha model are applied to the 300 nm compaction data, and a power law relation is found to yield the best fit to experimental data. C1 [Fredenburg, D. Anthony; Dennis-Koller, Darcie; Dattelbaum, Dana M.] LANL, Los Alamos, NM 87545 USA. RP Fredenburg, DA (reprint author), LANL, WX 9, Los Alamos, NM 87545 USA. NR 9 TC 0 Z9 0 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686564 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300352 ER PT S AU Fredenburg, DA Thadhani, NN AF Fredenburg, D. Anthony Thadhani, Naresh N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ON PREDICTING THE SHOCK DENSIFICATION RESPONSE OF HETEROGENEOUS POWDER MIXTURES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock Compaction; Thermite Powder; Predictive Modeling ID POROUS MATERIALS AB Predicting the dynamic crush-up response of heterogeneous powder mixtures is vital to the design of high-strain-rate experiments. A methodology has been developed which utilizes an experimentally obtained stress-density response in the low-strain-rate (quasi-static) regime to predict the dynamic densification response of powder mixtures. Specifically, the compaction behavior of an equivolumetric Ta + Fe2O3 mixture is investigated. Experimental data is analyzed within the scope of existing continuum level compaction models, where the present combination and manipulation thereof allows for an accurate prediction of the dynamic crush-up response of the Ta + Fe2O3 powder mixture. Discussion is also given regarding model extension to alternate systems. C1 [Fredenburg, D. Anthony] LANL, WX 9,MS P952, Los Alamos, NM 87545 USA. [Thadhani, Naresh N.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Fredenburg, DA (reprint author), LANL, WX 9,MS P952, Los Alamos, NM 87545 USA. FU Defense Threat Reduction Agency FX The authors would like to thank the Defense Threat Reduction Agency for continued support of this research through grant no. HDTRA1-07-1-0018. NR 6 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686562 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300350 ER PT S AU Fried, LE Zepeda-Ruis, L Howard, WM Najjar, F Reaugh, JE AF Fried, Laurence E. Zepeda-Ruis, Luis Howard, W. Michael Najjar, Fady Reaugh, John E. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE ROLE OF VISCOSITY IN TATB HOT SPOT IGNITION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hydrodynamics; reactive flow; shocked TATB; pore collapse; Cheetah; ALE3D; viscosity ID EQUATION-OF-STATE; SHOCK; SIMULATIONS; EXPLOSIVES AB The role of dissipative effects, such as viscosity, in the ignition of high explosive pores is investigated using a coupled chemical, thermal, and hydrodynamic model. Chemical reactions are tracked with the Cheetah thermochemical code coupled to the ALE3D hydrodynamic code. We perform molecular dynamics simulations to determine the viscosity of liquid TATB. We also analyze shock wave experiments to obtain an estimate for the shock viscosity of TATB. Using the lower bound liquid-like viscosities, we find that the pore collapse is hydrodynamic in nature. Using the upper bound viscosity from shock wave experiments, we find that the pore collapse is closest to the viscous limit. C1 [Fried, Laurence E.; Zepeda-Ruis, Luis; Howard, W. Michael; Reaugh, John E.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 E Ave, Livermore, CA 94551 USA. [Najjar, Fady] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Fried, LE (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 E Ave, Livermore, CA 94551 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 FU Lawrence Livermore National Security [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Security under contract No. DE-AC52-07NA27344. The authors acknowledge the numerous discussions with C. Tarver, A. L. Nichols III, and N. Barton. NR 11 TC 4 Z9 4 U1 6 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686278 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300066 ER PT S AU Friedman, G Prestridge, K Mejia-Alvarez, R Leftwich, M AF Friedman, Gavin Prestridge, Kathy Mejia-Alvarez, Ricardo Leftwich, Megan BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK-DRIVEN MIXING: EXPERIMENTAL DESIGN AND INITIAL CONDITIONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock Waves; Interfacial Instabilities; Turbulence ID RICHTMYER-MESHKOV INSTABILITY; INTERFACE AB A new Vertical Shock Tube (VST) has been designed to study shock-induced mixing due to the Richtmyer-Meshkov Instability (RMI) developing on a 3-D multi-mode interface between two gases. These studies characterize how interface contours, gas density difference, and Mach No. affect the ensuing mixing by using simultaneous measurements of velocity/density fields. The VST allows for the formation of a single stably-stratified interface, removing complexities of the dual interface used in prior RMI work. The VST also features a new diaphragmless driver, making feasible larger ensembles of data by reducing intra-shot time, and a larger viewing window allowing new observations of late-time mixing. The initial condition (IC) is formed by a co-flow system, chosen to minimize diffusion at the gas interface. To ensure statistically stationary ICs, a contoured nozzle has been manufactured to form repeatable co-flowing jets that are manipulated by a flapping splitter plate to generate perturbations that span the VST. This talk focuses on the design of the IC flow system and shows initial results characterizing the interface. C1 [Friedman, Gavin; Prestridge, Kathy; Mejia-Alvarez, Ricardo; Leftwich, Megan] LANL, Los Alamos, NM 87545 USA. RP Friedman, G (reprint author), LANL, P-23,MS-H803, Los Alamos, NM 87545 USA. RI Prestridge, Kathy/C-1137-2012 OI Prestridge, Kathy/0000-0003-2425-5086 NR 9 TC 0 Z9 0 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686602 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300390 ER PT S AU Furmanski, J Cady, C Rae, P Trujillo, CP Gray, GT Brown, EN AF Furmanski, J. Cady, C. Rae, P. Trujillo, C. P. Gray, G. T., III Brown, E. N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DYNAMIC-TENSILE-EXTRUSION OF POLYUREA SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Dynamic-tensile-extrusion; Taylor Impact; polyurea; high strain-rate; failure; rupture AB Polyurea was investigated under Dynamic-Tensile-Extrusion (Dyn-Ten-Ext) loading where spherical projectiles were propelled at 440 to 509 ms(-1) through a conical extrusion die with an area reduction of 87%. Momentum of the leading edge imposes a rapid tensile deformation on the extruded jet of material. Polyurea is an elastomer with outstanding high-rate tensile performance of interest in the shock regime. Previous Dyn-Ten-Ext work on semi-crystalline fluoropolymers (PTFE, PCTFE) elucidated irregular deformation and profuse stochastic-based damage and failure mechanisms, but with limited insight into damage inception or progression in those polymers. The polyurea behaved very differently; the polymer first extruded a jet of apparently intact material, which then broke down via void coalescence, followed by fibrillation and tearing of the material. Most of the material in the jet elastically retracted back into the die, and only a few unique fragments were formed. The surface texture of all failed surfaces was found to be tortuous and covered with drawn hair-like filaments, implying a considerable amount of energy was absorbed during damage progression. C1 [Furmanski, J.; Cady, C.; Rae, P.; Trujillo, C. P.; Gray, G. T., III; Brown, E. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Furmanski, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Brown, Eric/0000-0002-6812-7820 NR 4 TC 1 Z9 1 U1 2 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686467 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300255 ER PT S AU Gibson, LL Sheffield, SA Dattelbaum, DM Stahl, DB AF Gibson, L. L. Sheffield, S. A. Dattelbaum, D. M. Stahl, D. B. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK INITIATION AND DETONATION PROPERTIES OF BISFLUORODINITROETHYL FORMAL (FEFO) SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE homogeneous shock initiation; detonation; bisfluorodinitroethyl formal; FEFO; magnetic gauges; Pop-plot; sound speed ID EXPLOSIVES AB FEFO is a liquid explosive with a density of 1.60 g/cm(3) and an energy output similar to that of trinitrotoluene (TNT), making it one of the more energetic liquid explosives. Here we describe shock initiation experiments that were conducted using a two-stage gas gun using magnetic gauges to measure the wave profiles during a shock-to-detonation transition. Unreacted Hugoniot data, time-to detonation (overtake) measurements, and reactive wave profiles were obtained from each experiment. FEFO was found to initiate by the homogeneous initiation model, similar to all other liquid explosives we have studied (nitromethane, isopropyl nitrate, hydrogen peroxide). The new unreacted Hugoniot points agree well with other published data. A universal liquid Hugoniot estimation slightly under predicts the measured Hugoniot data. FEFO is very insensitive, with about the same shock sensitivity as the triamino-trinitro-benzene (TATB)-based explosive PBX9502 and cast TNT. C1 [Gibson, L. L.; Sheffield, S. A.; Dattelbaum, D. M.; Stahl, D. B.] LANL, Los Alamos, NM 87545 USA. RP Gibson, LL (reprint author), LANL, MS-P952, Los Alamos, NM 87545 USA. NR 11 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686284 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300072 ER PT S AU Glascoe, EA Springer, HK Tringe, JW Maienschein, JL AF Glascoe, E. A. Springer, H. K. Tringe, J. W. Maienschein, J. L. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A COMPARISON OF DEFLAGRATION RATES AT ELEVATED PRESSURES AND TEMPERATURES WITH THERMAL EXPLOSION RESULTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Thermal explosion; deflagration rates; HMX ID HMX AB The deflagration rate of HMX-based explosives has previously been correlated with the violence of thermal explosion experiments. In particular, HMX-based materials that experience deconsolidative burning at elevated pressures (i.e. P = 200 - 600 MPa) also produce significantly more violent thermal explosions. We now report deflagration rates at elevated temperatures (i.e. T = 150 - 180C) and moderate pressures (i.e. P = 10 - 100 MPa). These conditions more closely mimic the pressures and temperatures of an explosive shortly after ignition of a thermal explosion. Here, we discuss the deflagration rates of HMX-based explosives at elevated temperatures and their usefulness to predict the thermal explosion violence of the same materials. C1 [Glascoe, E. A.; Springer, H. K.; Tringe, J. W.; Maienschein, J. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Glascoe, EA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 9 TC 1 Z9 1 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686339 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300127 ER PT S AU Glascoe, L Margraf, J McMichael, L Vandersall, K AF Glascoe, L. Margraf, J. McMichael, L. Vandersall, K. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A MITIGATION SCHEME FOR UNDERWATER BLAST: EXPERIMENTS AND MODELING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Underwater blast; ALE numerical modeling; digital image correlation; blast mitigation AB A novel but relatively easy-to-implement mitigation concept to enforce standoff distance and reduce shock loading on a vertical, partially-submerged structure is evaluated experimentally using scaled aquarium experiments and numerically using a high-fidelity finite element code. Scaled, water-tamped explosive experiments were performed using aquariums of different sizes. The effectiveness of different mitigation configurations, including air-filled media and an air gap, is assessed relative to an unmitigated detonation using the same charge weight and standoff distance. Experiments using an air-filled media mitigation concept effectively dampen the explosive response of an aluminum plate and reduce the final displacement at plate center by approximately half. Experiments using an air-gap resulted in a focused water slug hitting the plate, an effect we hypothesize to be due to water encasement of the charge. Finite element simulations used for the initial experimental design compare very well to experiments both spatially and temporally for the unmitigated case and for the air-filled media mitigation; simulations accounting for water encasement bound air gap experiments. Details of numerical and experimental approach are provided as well as a discussion of results. C1 [Glascoe, L.; Margraf, J.; McMichael, L.; Vandersall, K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Glascoe, L (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 6 TC 1 Z9 1 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686380 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300168 ER PT S AU Haill, TA Mattsson, TR Root, S Schroen, DG Flicker, DG AF Haill, T. A. Mattsson, T. R. Root, S. Schroen, D. G. Flicker, D. G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MESOSCALE SIMULATION OF SHOCKED POLY-(4-METHYL-1-PENTENE) (PMP) FOAMS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE polymethylpentene; PMP; foam; ALEGRA; mesoscale simulation ID DUCTILE POROUS MATERIALS AB Hydrocarbon foams are commonly used in high energy-density physics (HEDP) applications, for example as tamper and ablation materials for dynamic materials or inertial confinement fusion (ICF) experiments, and as such are subject to shock compression from tens to hundreds of GPa. Modeling of macro-molecular materials like hydrocarbon foams is challenging due to the heterogeneous character of the polymers and the complexity of voids and large-scale structure. Under shock conditions, these factors contribute to a relatively larger uncertainty of the post-shock state compared to that encountered for homogenous materials; therefore a quantitative understanding of foams under strong dynamic compression is sought. We use Sandia's ALEGRA-MHD code to simulate 3D mesoscale models of poly-(4-methyl-1-pentene) (PMP) foams. We devise models of the initial polymer-void structure of the foam and analyze the statistical properties of the initial and shocked states. We compare the simulations to multi-Mbar shock experiments conducted on Sandia's Z machine at various initial foam densities and flyer impact velocities. Scatter in the experimental data may be a consequence of the initial foam inhomogeneity. We compare the statistical properties of the simulations with the scatter in the experimental data. C1 [Haill, T. A.; Mattsson, T. R.; Root, S.; Schroen, D. G.; Flicker, D. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Haill, TA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 6 TC 1 Z9 1 U1 2 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686426 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300214 ER PT S AU Hammel, B Swift, DC El-Dasher, B Kumar, M Collins, G Florando, J AF Hammel, Ben Swift, Damian C. El-Dasher, Bassem Kumar, Mukul Collins, Gilbert Florando, Jeff BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI PLASTIC BEHAVIOR OF POLYCRYSTALLINE TANTALUM IN THE 5 x 10(7)/s REGIME SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock; plasticity ID STRESS; TA AB The goal of this experiment was to investigate the plastic response of Ta to dynamic loading at high strain rates. The samples used were derived from high purity rolled plate, polished down to thicknesses in the range 25-100 mu m. Dynamic loading was applied by direct laser ablation of the sample, with pulses up to 10 ns long, at the Jupiter Laser Facility. The elastic-plastic wave structure was measured using two line VISAR systems of different sensitivity, and strain rates were inferred from the rise time of the waves. The elastic wave amplitudes indicated flow stresses between 2 and 3 GPa, depending on the sample thickness. Samples were recovered for post-shot metallographic analysis. C1 [Hammel, Ben; Swift, Damian C.; El-Dasher, Bassem; Kumar, Mukul; Collins, Gilbert; Florando, Jeff] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hammel, B (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 12 TC 1 Z9 1 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686430 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300218 ER PT S AU Hammerberg, JE Ravelo, R Germann, TC Holian, BL AF Hammerberg, J. E. Ravelo, R. Germann, T. C. Holian, B. L. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI FINITE SIZE EFFECTS AT HIGH SPEED FRICTIONAL INTERFACES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; frictional force; plastic deformation; sliding friction; aluminum AB Non-Equilibrium Molecular Dynamics (NEMD) simulations have exhibited characteristic velocity weakening for the tangential frictional force at smooth single crystal interfaces for velocities greater than a critical velocity, v(c). This behavior has been seen in a number of material pairs including Cu-Ag, Ta-Al and Al-Al. Expressions for vc that characterize this behavior depend on system size. We discuss the size dependence for Al-Al single crystal interfaces for two cases, an Al(111)/Al(001) interface sliding along [1-10], N=1.5 10(6), and an Al(110)[ 001]/Al(110)[1-10] interface sliding along [001], N=7.5 10(6), where N is the number of atoms, corresponding to a three-fold increase in system size normal to the sliding direction. We find agreement with an inverse size scaling for vc. C1 [Hammerberg, J. E.; Germann, T. C.; Holian, B. L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Ravelo, R.] Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA. RP Hammerberg, JE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Germann, Timothy/0000-0002-6813-238X FU U.S. Dept. of Energy [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Dept. of Energy under contract DE-AC52-06NA25396. NR 10 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686503 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300291 ER PT S AU Hanshaw, HL Knudson, MD Martin, MR Desjarlais, MP Lemke, RW AF Hanshaw, Heath L. Knudson, Marcus D. Martin, Mathew R. Desjarlais, Michael P. Lemke, Raymond W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DOUBLE SHOCK EXPERIMENTS ON THE SANDIA Z MACHINE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE double shock; Z; aluminum; quartz AB The double shock layered high-velocity flyer plate is one new capability being developed on Sandia's Z machine. With this technique, dynamic material data at high energy densities can be obtained at points in phase space which lie neither on principal Hugoniots nor on quasi-isentropic ramp curves. We discuss the double shock capability development experiments being performed on Z. C1 [Hanshaw, Heath L.; Knudson, Marcus D.; Martin, Mathew R.; Desjarlais, Michael P.; Lemke, Raymond W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hanshaw, HL (reprint author), Sandia Natl Labs, POB 7800,Mail Stop 1189, Albuquerque, NM 87185 USA. NR 11 TC 0 Z9 0 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686428 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300216 ER PT S AU Harsh, J Hull, L Mendez, J McNeil, WV AF Harsh, J. Hull, L. Mendez, J. McNeil, W. Vogan BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOT H3837: DARHT'S FIRST DUAL-AXIS EXPLOSIVE EXPERIMENT SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Flash x-ray; dual-axis radiography; dynamic materials AB Test H3837 was the first explosive shot performed in front of both flash x-ray axes at the Los Alamos Dual Axis Radiographic Hydrodynamic Test (DARHT) facility. Executed in November 2009, the shot was an explosively-driven metal flyer plate in a series of experiments designed to explore equation-of-state properties of shocked materials. Imaging the initial shock wave traveling through the flyer plate, DARHT Axis II captured the range of motion from the shock front emergence in the flyer to breakout at the free surface; the Axis I pulse provided a perpendicular perspective of the shot at a time coinciding with the third pulse of Axis II. C1 [Harsh, J.; Hull, L.; Mendez, J.; McNeil, W. Vogan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Harsh, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 4 TC 0 Z9 0 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686293 PG 3 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300081 ER PT S AU Hawreliak, J El-Dasher, B Eggert, J Rygg, J Collins, G Lorenzana, H Kimminau, G Higginbotham, A Nagler, B Vinko, SM Murphy, WJ Whitcher, T Rothman, S Park, N Wark, JS AF Hawreliak, James El-Dasher, Bassem Eggert, Jon Rygg, James Collins, Gilbert Lorenzana, Hector Kimminau, Giles Higginbotham, Andrew Nagler, Bob Vinko, Sam M. Murphy, William J. Whitcher, Thomas Rothman, Steve Park, Nigel Wark, Justin S. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI PROBING DYNAMIC MATERIAL STRENGTH USING IN SITU X-RAY DIFFRACTION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Strength; X-ray Diffraction; Iron AB The lattice level strain measured using in situ x-ray diffraction during shock compression of rolled iron foils is used along with the pressure dependent elastic constants to estimate the dynamic strength of 1 +/- 1 GPa at 15 GPa. We examine these results in the context of the constant stress (Voigt) and constant strain (Ruess) limit of grain interaction, discussing the implications at the lattice level. C1 [Hawreliak, James; El-Dasher, Bassem; Eggert, Jon; Rygg, James; Collins, Gilbert; Lorenzana, Hector] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kimminau, Giles; Higginbotham, Andrew; Nagler, Bob; Vinko, Sam M.; Murphy, William J.; Whitcher, Thomas; Wark, Justin S.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Park, Nigel] AWE Aldermaston, Reading, Berks, England. RP Hawreliak, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Vinko, Sam/I-4845-2013 OI Vinko, Sam/0000-0003-1016-0975 FU U.S. Department of Energy; Lawrence Livermore National Laboratory [AC52-07NA27344]; LDRD [06-SI-004]; U.K. EPSRC [GR/R25699/01] FX The authors thank the staff at the Vulcan Laser Facility at the Rutherford Appleton Laboratory. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 supported by the LDRD program Project No. 06-SI-004 at LLNL. Additional support was provided by the U.K. EPSRC under Grant No. GR/R25699/01. NR 10 TC 0 Z9 0 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686440 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300228 ER PT S AU Herbold, EB Nesterenko, VF AF Herbold, E. B. Nesterenko, V. F. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI PROPAGATION OF RAREFACTION PULSES IN PARTICULATE MATERIALS WITH STRAIN-SOFTENING BEHAVIOR SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE strongly nonlinear wave; softening behavior; rarefaction wave ID SOLITARY WAVES; CHAIN AB We investigate rarefaction waves in nonlinear periodic systems with a 'softening' power-law relationship between force and displacement to understand the dynamic behavior of this class of materials. A closed form expression describing the shape of the strongly nonlinear rarefaction wave is exact for n = 1/2 and agrees well with the shape and width of the pulses resulting from discrete simulations. A chain of particles under impact was shown to propagate a rarefaction pulse as the leading pulse in initially compressive impulsive loading in the absence of dissipation. Compression pulses generated by impact quickly disintegrated into a leading rarefaction solitary wave followed by an oscillatory train. Such behavior is favorable for metamaterials design of shock absorption layers as well as tunable information transmission lines for scrambling of acoustic information. C1 [Herbold, E. B.] Lawrence Livermore Natl Lab, L-236,POB 808, Livermore, CA 94550 USA. [Nesterenko, V. F.] Univ Calif San Diego, Dept Mech Engn, La Jolla, CA 92093 USA. [Nesterenko, V. F.] Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 92093 USA. RP Herbold, EB (reprint author), Lawrence Livermore Natl Lab, L-236,POB 808, Livermore, CA 94550 USA. RI Herbold, Eric/G-3432-2011 OI Herbold, Eric/0000-0002-9837-1824 FU U.S. NSF [DCMS03013220] FX The authors wish to acknowledge the support of this work by the U.S. NSF (Grant No.DCMS03013220). NR 16 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686554 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300342 ER PT S AU Heuze, O Swift, DC AF Heuze, Olivier Swift, Damian C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ANALYSIS AND MODELING OF LASER RAMPS AND SHOCKS IN TIITATIUM AND ZIRCONIUM WITH PHASE TRANSITIONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock; plasticity; solid-solid transition ID STATE AB Using temporal pulse shaping, laser ablation can generate shocks or ramp loading in samples. Shock data can often be analyzed using analytic calculations, but integrated calculations are required in the case of ramps. When phase transitions occur, surface velocity histories may become much more complicated, requiring accurate hydrocode simulations for interpretation. The shock may be split by phase transitions and the slope of the ramp interacts with phase transition kinetics. The analysis of these experiments requires a good knowledge of phase transition thermodynamics i.e. an accurate multiphase equation of state (EOS). Recently, laser experiments have been performed on samples exhibiting phase transitions, complemented by a general model of multiphase EOS developed at CEA. The aim of the present study was to compare equilibrium multiphase EOS with qualitative and quantitative features of the experimental data. Multiphase EOS were constructed for Ti and Zr using static data. Good agreement was found between most experiments and calculations, demonstrating the accuracy of the multiphase EOS. In some cases, the experimental data show obvious kinetic effects. C1 [Heuze, Olivier] CEA DIF, BP 12, F-91680 Bruyeres Le Chatel, France. [Swift, Damian C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Heuze, O (reprint author), CEA DIF, BP 12, F-91680 Bruyeres Le Chatel, France. FU U.S. Department of Energy [DE-AC52-07NA27344] FX This project was performed under the CEA-NNSA collaborative program. The Livermore portion was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344. NR 15 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686577 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300365 ER PT S AU Hill, LG Hooks, DE Pierce, TH AF Hill, Larry G. Hooks, Daniel E. Pierce, Timothy H. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ANALYSIS OF THE MINI-DEFLAGRATION CYLINDER TEST: INFERENCE OF INTERNAL CONDITIONS FROM WALL MOTION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Explosives; Cookoff; Cylinder Test; GI Taylor; Photon Doppler Velocimetry AB Following G. I. Taylor and our own previous work based upon it, we continue to explore HE confiner motion as test diagnostic. A handful of authors (including us) have adapted Taylor's analysis to infer equation-of-state information from detonation cylinder tests. We have also successfully applied this class of analysis to deflagration cylinder tests (DFCTs). Here, we analyze a miniature DFCT diagnosed by multiple PDV probes. We spatially interpolate between PDV records to obtain a smooth function for lateral expansion vs. axial distance, z, and time, t. From this we may construct snapshots of the tube at any time; hence we may create animations of the tube motion and compute the product gas volume V vs. t. Combining Newton's law with simple stress theory, we estimate the gas pressure P vs. z and t. We then estimate the burned HE mass from the wall kinetic energy. Finally, we discuss some important test scaling issues. C1 [Hill, Larry G.; Hooks, Daniel E.; Pierce, Timothy H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hill, LG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686374 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300162 ER PT S AU Hill, LG AF Hill, Larry G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE SHOCK-TRIGGERED STATISTICAL HOT SPOT MODEL SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Detonation; Hot Spots; Heterogeneous Reaction; Reactive Burn Modeling; Homogenization AB The standard statistical hot spot model (SHSM) assumes that all hot-spot-triggered burn waves initiate simultaneously within homogenized volume elements. In reality the shock passes through such elements, lighting burn waves in a phased manner. Simple simulations are employed to illustrate the resulting shock-triggered heterogeneous reaction topology. These show that the conventional continuum prescription may not be satisfied. An alternative strategy yields a robust continuum description, and enables an extended analytic SHSM that reduces to the standard model as the burn-front to shock-speed ratio, beta, approaches zero. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hill, LG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 8 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686280 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300068 ER PT S AU Holian, BL Mareschal, M Ravelo, R AF Holian, Brad Lee Mareschal, Michel Ravelo, Ramon BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI BURNETT-CATTANEO CONTINUUM THEORY FOR SHOCK WAVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; Navier-Stokes; Fourier; local thermodynamic equilibrium; relaxation phenomena AB We model strong shockwave propagation, both in the ideal gas and in the dense Lennard-Jones fluid, using a refinement of earlier work, which accounts for the cold compression in the early stages of the shock rise by a nonlinear, Burnett-like, strain-rate dependence of the thermal conductivity, and relaxation of kinetic temperature components on the hot, compressed side of the shock front. The relaxation of the disequilibrium among the three components of the kinetic temperature, namely, the difference between the component in the direction of a planar shock wave and those in the transverse directions, particularly in the region near the shock front, is accomplished at a much more quantitative level by the first-ever rigorous application of the Cattaneo-Maxwell relaxation equation to a reference solution, namely, the steady shockwave solution of linear Navier-Stokes-Fourier theory, along with the nonlinear Burnett heat-flux term. Our new continuum theory is in nearly quantitative agreement with non-equilibrium molecular-dynamics simulations under strong shockwave conditions, using relaxation parameters obtained from the reference solution. C1 [Holian, Brad Lee] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Mareschal, Michel] Univ Libre Bruxelles, Dept Phys, CP223, B-1050 Brussels, Belgium. [Ravelo, Ramon] Div Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Holian, BL (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU US Department of Energy; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy [DE-AC02-05CH11231]; Defense Threat Reduction Agency under IACRO [08-4399l, 09-45091]; William Wilson; DTRA/CXWJ FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The work at Lawrence Berkeley National Laboratory was performed under US Department of Energy under Contract No. DE-AC02-05CH11231. This work was sponsored by the Defense Threat Reduction Agency under IACROs 08-4399l and 09-45091; Dr. William Wilson,DTRA/CXWJ, is the contract monitor; his support is greatly appreciated. NR 7 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686499 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300287 ER PT S AU Howard, WM Kuhl, AL Tringe, JW AF Howard, W. M. Kuhl, A. L. Tringe, J. W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SIMULATION OF THE REFLECTED BLAST WAVE FROM A C-4 CHARGE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Air blast; turbulence; hydrodynamics; detonation AB The reflection of a blast wave from a C4 charge detonated above a planar surface is simulated with our ALE3D code. We used a finely-resolved, fixed Eulerian 2-D mesh (167 mu m per cell) to capture the detonation of the charge, the blast wave propagation in nitrogen, and its reflection from the surface. The thermodynamic properties of the detonation products and nitrogen were specified by the Cheetah code. A programmed-burn model was used to detonate the charge at a rate based on measured detonation velocities. Computed pressure histories are compared with pressures measured by Kistler 603B piezoelectric gauges at 7 ranges (GR = 0, 5.08, 10.16, 15.24, 20.32, 25.4, and 30.48 cm) along the reflecting surface. Computed and measured waveforms and positive-phase impulses were similar, except at close-in ranges (GR < 5 cm), which were dominated by jetting effects. C1 [Howard, W. M.; Kuhl, A. L.; Tringe, J. W.] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94551 USA. RP Howard, WM (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, 7000 East Ave, Livermore, CA 94551 USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686351 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300139 ER PT S AU Hsu, PC Hust, G May, C Howard, M Chidester, SK Springer, HK Maienschein, JL AF Hsu, P. C. Hust, G. May, C. Howard, M. Chidester, S. K. Springer, H. K. Maienschein, J. L. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI STUDY OF THERMAL SENSITIVITY AND THERMAL EXPLOSION VIOLENCE OF ENERGETIC MATERIALS IN THE LLNL ODTX SYSTEM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE thermal; LX-10; experimental techniques; cook-off; and detonation AB Some energetic materials may explode at fairly low temperatures and the violence from thermal explosion may cause a significant damage. Thus it is important to understand the response of energetic materials to thermal insults for safe handling and storage of energetic materials. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory can measure times to explosion, lowest explosion temperatures, and determine kinetic parameters of energetic materials. Samples of different configurations can be tested in the system. The ODTX testing can also generate useful data for determining thermal explosion violence of energetic materials. We also performed detonation experiments of LX-10 in aluminum anvils to determine the detonation violence and validated the Zerilli Armstrong aluminum model. Results of the detonation experiments agreed well with the model prediction. C1 [Hsu, P. C.; Hust, G.; May, C.; Howard, M.; Chidester, S. K.; Springer, H. K.; Maienschein, J. L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hsu, PC (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 5 TC 2 Z9 2 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686340 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300128 ER PT S AU Hull, LM Briggs, M Faulkner, J AF Hull, Lawrence M. Briggs, Matthew Faulkner, James BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SURFACE SHEAR STRAINS INDUCED BY QUASI-STEADY SWEEPING DETONATION WAVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE PDV; shear strain; sweeping detonation waves AB Sweeping wave experiments create conditions of greater shear than corresponding one-dimensional motion experiments, and are of current interest for material damage characterization. Sweeping waves are also important with regards to the spectrum of applications of explosives driving metals. The intensity of the shear developed in a sweeping wave experiment may be monitored using crossed beams of Photon Doppler Velocimetry (PDV). During the time the material is traversing the volume defined by the crossed beams, the interferometer is measuring the velocity of the same mass element (approximately) from two directions. It is known that PDV measures the velocity component that lies along the beam direction, so that with crossed beams, two independent directions are simultaneously measured and therefore the vector velocity (both magnitude and direction) are captured. The vector velocity is readily related to the strain rates on the surface (after removing the rigid rotation rates), and the equations are integrated to obtain the strains. C1 [Hull, Lawrence M.; Briggs, Matthew; Faulkner, James] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hull, LM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 2 TC 1 Z9 1 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686539 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300327 ER PT S AU Jackson, SI Short, M AF Jackson, Scott I. Short, Mark BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DETERMINATION OF THE VELOCITY-CURVATURE RELATIONSHIP FOR UNKNOWN FRONT SHAPES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE DSD; detonation shock dynamics; curvature; detonation AB Detonation Shock Dynamics (DSD) is a detonation propagation methodology that replaces the detonation shock and reaction zone with a surface that evolves according to a specified normal-velocity evolution law. DSD is able to model detonation propagation when supplied with two components: the normal-detonation-velocity variation versus detonation surface curvature and the surface edge angle at the explosive-confiner interface. The velocity-curvature relationship is typically derived from experimental rate-stick data. Experimental front shapes can be fit to an analytic equation with an appropriate characteristic shape to examine detonation velocity-curvature variation computed from that analytic expression. However, in some complex explosive-confiner configurations, an appropriate functional form for the detonation front shape may be difficult to construct. To address such situations, we numerically compute the velocity-curvature variation directly from discrete experimental front-shape data using local rather than global fitting forms. The results are then compared to the global method for determining the velocity-curvature variation. The possibilities and limitations of such an approach are discussed. C1 [Jackson, Scott I.; Short, Mark] LANL, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP Jackson, SI (reprint author), LANL, Shock & Detonat Phys Grp, WX-9, Los Alamos, NM 87545 USA. OI Jackson, Scott/0000-0002-6814-3468 NR 5 TC 2 Z9 2 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686290 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300078 ER PT S AU Jakus, AE Fredenburg, DA McCoy, T Thadhani, NN Cochran, J AF Jakus, A. E. Fredenburg, D. A. McCoy, T. Thadhani, N. N. Cochran, J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DYNAMIC DEFORMATION AND FRAGMENTATION RESPONSE OF MARAGING STEEL LINEAR CELLULAR ALLOY SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Dynamic; deformation; fragmentation; maraging steel; AUTODYN; Johnson-Cook; rod-on-anvil; impact ID TESTS AB The dynamic deformation and fragmentation response of 25% dense 9-cell linear cellular alloy (LCA) made of unaged 250 maraging steel, fabricated using a direct reduction and extrusion technique, is investigated. Explicit finite element simulations were implemented using AUTODYN finite element code. The maraging steel properties were defined using a Johnson-Cook strength model with previously validated parameters. Rod-on-anvil impact tests were performed using the 7.6mm helium gas gun and the transient deformation and fragmentation response was recorded with highspeed imaging. Analysis of observed deformation states of specimens and finite element simulations reveal that in the case of the 9-cell LCA, dissipation of stress and strain occurs along the interior cell wells resulting in significant and ubiquitous buckling prior to confined fragmentation. C1 [Jakus, A. E.] Northwestern Univ, Evanston, IL 60201 USA. [Jakus, A. E.; Fredenburg, D. A.; McCoy, T.; Thadhani, N. N.; Cochran, J.] Georgia Inst Technol, Atlanta, GA 60201 USA. [Fredenburg, D. A.] Los Alamos Natl Lab, Los Alamos 87545, NM USA. RP Jakus, AE (reprint author), Northwestern Univ, Evanston, IL 60201 USA. FU NDSEG Fellowship; DTRA [HDTRA1-07-1-0018] FX The authors acknowledge the research funding provided by NDSEG Fellowship, DTRA Grant No. HDTRA1-07-1-0018, and the continued support of program monitors Dr. Suhithi Peiris and Dr. Bill Wilson. NR 13 TC 2 Z9 2 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686534 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300322 ER PT S AU Johnson, CE Francois, EG Morris, JS AF Johnson, C. E. Francois, E. G. Morris, J. S. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI REACTIVE FLOW CALIBRATION FOR DIAMINOAZOXYFURAZAN (DAAF) AND COMPARISON WITH EXPERIMENT SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hydrocode; Reactive Flow; DAAF; History Variable Reactive Burn AB Diaminoazoxyfurazan (DAAF) has a number of desirable properties; it is sensitive to shock while being insensitive to initiation by low level impact or friction, it has a small failure diameter, and its manufacturing process is inexpensive with minimal environmental impact. In light of its unique properties, DAAF based materials have gained interest for possible applications in insensitive munitions. In order to facilitate hydrocode modeling of DAAF and DAAF based formulations, we have developed a set of reactive flow parameters which were calibrated using published experimental data as well as recent experiments at LANL. Hydrocode calculations using the DAAF reactive flow parameters developed in the course of this work were compared to rate stick experiments, small scale gap tests, as well as the Onionskin experiment. Hydrocode calculations were compared directly to streak image results using numerous tracer points in conjunction with an external algorithm to match the data sets. The calculations display a reasonable agreement with experiment with the exception of effects related to shock desensitization of explosive. C1 [Johnson, C. E.; Morris, J. S.] Los Alamos Natl Lab, WX 9, Los Alamos, NM 87545 USA. [Francois, E. G.] Los Alamos Natl Lab, High Explosive Sci & Technol, WX 7, Los Alamos, NM 87545 USA. RP Johnson, CE (reprint author), Los Alamos Natl Lab, WX 9, Los Alamos, NM 87545 USA. EM carlj@lanl.gov FU U. S. Dept. of Energy FX This work was funded by the U. S. Dept. of Energy. NR 8 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686330 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300118 ER PT S AU Johnson, JN AF Johnson, James N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE ROLE OF THE GIBBS FUNCTION IN SOLID-SOLID PHASE TRANSFORMATIONS UNDER NONHYDROSTATIC STRESS CONDITIONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Phase transformations; Gibbs function; solid mechanics and thermodynamics AB The question of how to deal analytically with solid-solid phase transformations is considered. We can easily form the Gibbs function for each of two solid phases (homogeneous, uniform deformation) and there is a natural temptation to simply equate them in order to determine conditions under which the transformation will occur. There are a few simple geometries and morphologies for which this is legitimate, but it is not generally correct. At the other end of the "rigorous" spectrum there is the rational thermodynamics generalization of the Gibbs function (i.e., the electrochemical tensor) and an equilibrium relationship that holds at any point on an interface between two phases under completely arbitrary conditions. However, this seems to be of limited use when trying to define global conditions for transformation. Various cases are examined to shed light on a practical question that has been around for a long time, and one that needs some quantitative examination. C1 [Johnson, James N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Johnson, JN (reprint author), 7201 Stanich Ave NW, Gig Harbor, WA 98335 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3681182 PG 8 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300001 ER PT S AU Kleiser, GJ Chhabildas, LC Reinhart, WD Anderson, WW AF Kleiser, G. J. Chhabildas, L. C. Reinhart, W. D. Anderson, W. W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RELEASE WAVE PROPAGATION IN SHOCKED MOLYBDENUM APPROACHING MELT CONDITIONS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock loading; molybdenum; phase transition; dynamic strength AB The purpose of this study is to investigate the unloading behavior of molybdenum at shock pressures approaching the melt regime, particularly in the vicinity of a previously reported solid-solid transition. Symmetric impact experiments were conducted using a two-stage light gas gun and VISAR diagnostic system to examine molybdenum's behavior up to pressures of 305 GPa. The approach required compensating for the wave interaction due to the low impedance LiF window, but provided detailed information regarding the release state and comparison of the measured sound speeds support the existence of the phase transition. This paper describes the strategy, experimental method, and corresponding results which are used to draw conclusions about the dynamic behavior of molybdenum at high pressure. C1 [Kleiser, G. J.; Chhabildas, L. C.] US Air Force, Munit Directorate, Res Lab, 101 W Eglin Blvd, Eglin AFB, FL 32542 USA. [Reinhart, W. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Anderson, W. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kleiser, GJ (reprint author), US Air Force, Munit Directorate, Res Lab, 101 W Eglin Blvd, Eglin AFB, FL 32542 USA. FU U.S. DOE [DE-AC04-94AL85000] FX This work was performed at Sandia National Laboratories supported by the U.S. DOE under contract DE-AC04-94AL85000. We would also like to acknowledge Tom Thornhill, John Martinez and Heidi Anderson, for their invaluable assistance with the experiments. NR 4 TC 0 Z9 0 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686571 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300359 ER PT S AU Knepper, R Tappan, AS Rodriguez, MA Alam, MK Martin, L Marquez, MP AF Knepper, R. Tappan, A. S. Rodriguez, M. A. Alam, M. K. Martin, L. Marquez, M. P. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI CRYSTALLIZATION BEHAVIOR OF VAPOR-DEPOSITED HEXANITROAZOBENZENE (HNAB) FILMS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Physical vapor deposition; crystallization AB Vapor-deposited hexanitroazobenzene (HNAB) has been shown to form an amorphous structure as-deposited that crystallizes over a period ranging from several hours to several weeks, depending on the ambient temperature. Raman spectroscopy and x-ray diffraction were used to identify three distinct phases during the crystallization process: the as-deposited amorphous structure, the HNAB-II crystal structure, and an as-yet unidentified crystal structure. Significant qualitative differences in the nucleation and growth of the crystalline phases were observed between 65 degrees C and 75 degrees C. While the same two polymorphs form in all cases, significant variation in the quantities of each phase was observed as a function of temperature. C1 [Knepper, R.; Tappan, A. S.; Rodriguez, M. A.; Alam, M. K.; Martin, L.; Marquez, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Knepper, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 5 TC 0 Z9 0 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686588 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300376 ER PT S AU Knudson, MD AF Knudson, Marcus D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MEGAAMPS, MEGAGAUSS, AND MEGABARS: USING THE SANDIA Z MACHINE TO PERFORM EXTREME MATERIAL DYNAMICS EXPERIMENTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Ramp and shock compression; equation of state; tantalum; quartz; beryllium; diamond ID CARBON AB For the past decade, a large, interdisciplinary team at Sandia National Laboratories has been refining the Z Machine (20+ MA and 10+ MGauss) into a mature, robust, and precise platform for material dynamics experiments in the multi-Mbar pressure regime. In particular, significant effort has gone into effectively coupling condensed matter theory, magneto-hydrodynamic simulation, and electromagnetic modeling to produce a fully self-consistent simulation capability able to very accurately predict the performance of the Z machine and various experimental load configurations. This capability has been instrumental in the ability to develop experimental platforms to routinely perform magnetic ramp compression experiments to over 4 Mbar, and magnetically accelerate flyer plates to over 40 km/s, creating over 20 Mbar impact pressures. Furthermore, a strong tie has been developed between the condensed matter theory and the experimental program. This coupling has been proven time and again to be extremely fruitful, with the capability of both theory and experiment being challenged and advanced through this close interrelationship. This paper will provide an overview of the material dynamics platform and discuss several examples of the use of Z to perform extreme material dynamics studies with unprecedented accuracy in support of basic science, planetary astrophysics, inertial confinement fusion, and the emerging field of high energy density laboratory physics. C1 Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Knudson, MD (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. NR 21 TC 2 Z9 2 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686216 PG 8 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300004 ER PT S AU Kullback, BA Terrones, G Carrara, MD Hajj, MR AF Kullback, B. A. Terrones, G. Carrara, M. D. Hajj, M. R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI QUANTIFICATION OF EJECTA FROM SHOCK LOADED METAL SURFACES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Ejecta; Richtmyer-Meshkov instability; Jetting; PAGOSA AB Mass ejecta from shock-loaded surfaces with finite disturbances were calculated for different elastic-perfectly plastic metals with the Mie-Gruneisen equation of state and with varying disturbance amplitudes (h(0)) wave numbers (k), and geometric shapes. In our simulations, the disturbance extends periodically in the transverse direction and the perturbed free surface is subjected to a single normal shock. The total ejected mass was found to depend on kh(0) (the product of the wave number and the initial amplitude of the disturbance) and (P/Y-0)(1/2) (where P is the shock pressure and Y-0 is the metal yield stress). For specific shapes of the disturbance, there seems to be a unique relation between the ratio of the total ejected mass and the mass removed by the disturbance. In addition, we found the cutoff condition (kh(0))(c) below which no ejecta can be produced. Generally, the amount of mass ejected increases with kh(0). However, a striking feature near the ejecta cutoff is the existence of a finite region (kh(0))(c) <= kh(0) <= (kh(0))(T) where the ejected mass decreases with kh(0). For all the metals and shock conditions we have considered, the ejecta production increases monotonically for the range of kh(0) values we have computed above (kh(0))(T). This effect and the global behavior of mass ejecta will be discussed. C1 [Kullback, B. A.; Terrones, G.; Carrara, M. D.] Los Alamos Natl Lab, X Theoret Design, POB 1663, Los Alamos, NM 87545 USA. [Kullback, B. A.; Hajj, M. R.] Virginia Tech, Dept Engn Sci & Mech, Blacksburg, VA 24061 USA. RP Kullback, BA (reprint author), Los Alamos Natl Lab, X Theoret Design, POB 1663, Los Alamos, NM 87545 USA. RI Hajj, Muhammad/A-1176-2010; OI Terrones, Guillermo/0000-0001-8245-5022 FU LANL FX Funding was provided by LANL for collaboration with Virginia Tech. The authors thank Wayne Weseloh for code support, Mike Burkett and the LANL research group for all their assistance with this study. NR 6 TC 3 Z9 4 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686445 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300233 ER PT S AU Lammi, CJ Vogler, TJ AF Lammi, C. J. Vogler, T. J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MESOSCALE SIMULATIONS OF GRANULAR MATERIALS WITH PERIDYNAMICS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Granular materials; peridynamics; mesoscale modeling AB The dynamic behavior of granular materials can be quite complex due to phenomena that occur at the scale of individual grains. For this reason, mesoscale simulations explicitly resolving individual grains with varying degrees of fidelity have been used to gain insight into the physics of granular materials. The vast majority of these simulations have, to date, been performed with Eulerian codes, which do a poor job of resolving fracture and grain-to-grain interactions. To address these shortcomings, we utilize a peridynamic modeling framework to examine the roles of fracture and contact under planar shock and other loading conditions. Peridynamics is a mesh-free Lagrangian technique based on an integral formulation to better enable simulations involving fracture. C1 [Lammi, C. J.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, 801 Ferst Dr NW, Atlanta, GA 30332 USA. [Vogler, T. J.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Lammi, CJ (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, 801 Ferst Dr NW, Atlanta, GA 30332 USA. FU [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energys National Nuclear Security Administration under contract DE-AC04- 94AL85000. NR 7 TC 0 Z9 0 U1 2 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686559 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300347 ER PT S AU Lane, JMD Grest, GS Thompson, AP Cochrane, KR Desjarlais, MP Mattsson, TR AF Lane, J. Matthew D. Grest, Gary S. Thompson, Aidan P. Cochrane, Kyle R. Desjarlais, Michael P. Mattsson, Thomas R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK COMPRESSION OF HYDROCARBON POLYMER FOAM USING MOLECULAR DYNAMICS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock; foam; polymer; molecular dynamics; simulation ID REACTIVE FORCE-FIELD; REAXFF AB Organic polymers and nanocomposites are increasingly being subjected to extreme environments. Molecular-scale modeling of these materials offers insight into failure mechanisms and response. In previously published work, we used classical molecular dynamics (MD) and density functional theory (DFT) simulations to determine the principal shock Hugoniot for two hydrocarbon polymers, polyethylene (PE) and poly(4-methyl-1-pentene) (PMP). DFT was in excellent agreement with experiment, and one of four classical MD potentials, ReaxFF, was found to be suitable for studies up to 50 GPa. Here, we extend these results to include low-density polymer foams using NEMD techniques. We find good quantitative agreement with both experiment and hydrocode simulations. Further, we have measured local temperatures to investigate the formation of hot spots and polymer dissociation near foam voids. C1 [Lane, J. Matthew D.; Grest, Gary S.; Thompson, Aidan P.; Desjarlais, Michael P.; Mattsson, Thomas R.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Cochrane, Kyle R.] Raytheon Ktech Corp, Albuquerque, NM 87123 USA. RP Lane, JMD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU NNSA Science Campaigns; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Tom Haill and Seth Root for sharing results shown in Figures 3 and 4. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Part of this work was supported by the NNSA Science Campaigns. 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 Energys National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 10 TC 7 Z9 7 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686551 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300339 ER PT S AU Lawrence, RJ Furnish, MD Remo, JL AF Lawrence, R. J. Furnish, M. D. Remo, J. L. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ANALYTIC MODELS FOR PULSED X-RAY IMPULSE COUPLING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Pulsed X rays; impulse generation; analytic models; NEO mitigation AB High-energy pulsed X-ray momentum coupling is a promising technology for early deflection of NEOs (Near Earth Objects) that might impact Earth. Analytic models for the radiation interactions can often preclude the need for large hydrocode analyses, and offer the advantage of many simple calculations that reveal important features of the nonlinear phenomena, e. g., thresholds, peak coupling, and high-energy scaling limits. However, model validation is an important element. One such model is used to analyze relevant experiments conducted on the Sandia Z-pinch machine. Samples were exposed to X-ray pulses approximating a 200-eV blackbody at fluences of similar to 1 kJ/cm(2). Target momenta were measured. Model calculations give impulse couplings somewhat greater than the data, but a more appropriate value for the one uncertain model parameter (the effective target decomposition energy), can account for this discrepancy. The analytic model is thus appropriate for system-level parameter studies that will be important constituents of all NEO mitigation investigations. C1 [Lawrence, R. J.; Furnish, M. D.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Remo, J. L.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP Lawrence, RJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU NNSA [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. DOE's NNSA under contract DE-AC04-94AL85000. NR 5 TC 1 Z9 1 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686419 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300207 ER PT S AU Lemke, RW Martin, MR McBride, RD Davis, JP Knudson, MD Sinars, DB Smith, IC Savage, M Stygar, WA Killebrew, K Flicker, DG Herrmann, MC AF Lemke, R. W. Martin, M. R. McBride, R. D. Davis, J-P. Knudson, M. D. Sinars, D. B. Smith, I. C. Savage, M. Stygar, W. A. Killebrew, K. Flicker, D. G. Herrmann, M. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DETERMINATION OF PRESSURE AND DENSITY OF SHOCKLESSLY COMPRESSED BERYLLIUM FROM X-RAY RADIOGRAPHY OF A MAGNETICALLY DRIVEN CYLINDRICAL LINER IMPLOSION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shockless compression; quasi-isentropic; liner; z-pinch; beryllium; radiography AB We describe a technique for measuring the pressure and density of a metallic solid, shocklessly compressed to multi-megabar pressure, through x-ray radiography of a magnetically driven, cylindrical liner implosion. Shockless compression of the liner produces material states that correspond approximately to the principal compression isentrope (quasi-isentrope). This technique is used to determine the principal quasi-isentrope of solid beryllium to a peak pressure of 2.4 Mbar from x-ray images of a high current (20 MA), fast (similar to 100 ns) liner implosion. C1 [Lemke, R. W.; Martin, M. R.; McBride, R. D.; Davis, J-P.; Knudson, M. D.; Sinars, D. B.; Smith, I. C.; Savage, M.; Stygar, W. A.; Flicker, D. G.; Herrmann, M. C.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Killebrew, K.] Gen Atom, San Diego, CA 92121 USA. RP Lemke, RW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX 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 11 TC 5 Z9 5 U1 3 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686320 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300108 ER PT S AU Lightstone, JM Stoltz, C Wilson, RM Horn, J Hooper, J Mayo, D Eichhorn, B Bowen, K White, MG AF Lightstone, J. M. Stoltz, C. Wilson, R. M. Horn, J. Hooper, J. Mayo, D. Eichhorn, B. Bowen, K. White, M. G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DEVELOPMENT OF METAL CLUSTER-BASED ENERGETIC MATERIALS AT NSWC-IHD SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Metal Clusters; Thermodynamics; Gas-phase reactivity; Aluminum ID ALUMINUM; REACTIVITY AB Current research efforts at NSWC-IHD are utilizing gas-phase molecular beam studies, theoretical calculations, and condensed-phase production methods to identify novel metal cluster systems in which passivated metal clusters make up the subunit of a molecular metal-based energetic material. The reactivity of NixAly+ clusters with nitromethane was investigated using a gas-phase molecular beam system. Results indicate that nitromethane is highly reactive toward the NixAly+ clusters and suggests it would not make a good passivating ligand for these cluster systems. To date, small amounts of a metal-based compound with a subunit containing four aluminum atoms and four Cp* ligands has been produced and was characterized using DSC and TGA. Results indicate this cluster material is more reactive than micron-and nano-sized aluminum. However lack of stability in air precludes it from being a viable replacement for current aluminum particles. Volumetric heat of combustion of Al50Cp*(12) was determined using thermodynamic data obtained from first principles calculations. The Al-50 cluster is found to have a heat of combustion near 60% that of pure aluminum. C1 [Lightstone, J. M.; Stoltz, C.; Wilson, R. M.; Horn, J.] NSWC IHD, Res & Dev, Indian Head, MD 20640 USA. [Hooper, J.] Naval Postgrad Sch, Dept Phys, Monterey, CA 93943 USA. [Mayo, D.; Eichhorn, B.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. [Bowen, K.] Johns Hopkins Univ, Dept Chem & Mat Sci, Baltimore, MD 21218 USA. [White, M. G.] Dept Chem, Brookhaven Natl Lab, Upton, NY 1177 USA. RP Lightstone, JM (reprint author), NSWC IHD, Res & Dev, Indian Head, MD 20640 USA. FU Defense Threat Reduction Agency under the Advanced Energetics Program FX Funding was provided by the Defense Threat Reduction Agency under the Advanced Energetics Program. NR 9 TC 0 Z9 0 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686353 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300141 ER PT S AU Lomov, I Fujino, D Antoun, T Vitali, E AF Lomov, Ilya. Fujino, Don Antoun, Tarabay Vitali, Efrem BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHEAR STRESS BEHAVIOR IN MESOSCALE SIMULATIONS OF GRANULAR MATERIALS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Powder compaction; granular flow; mesoscale simulations; quasielastic precursor AB 3D mesoscale simulations of shock propagation in porous solids and powders have been performed with the Eulerian hydrocode GEODYN. The results indicate that voids can have a profound effect on the stress state in the material behind the shock front. The simulations can explain experimentally observed wave profiles that are difficult to interpret in the context of the classical elastic-plastic theory. In particular, a quasielastic precursor is observed in reshock simulations. This effect persists even at extremely low porosity values, down to 0.1% by volume. Stress relaxation is pronounced in simulations involving wave propagation, but is not observed in uniform ramp loading. In this sense, the relaxation phenomenon is non-local in nature and classic continuum models are inadequate for its description. Simulations show that the response of highly porous powders is dominated by deviatoric stress relaxation in the shock regime. We propose an enhancement which can be easily integrated into most existing porous material continuum models for modeling the shock-induced relaxation phenomena observed in the mesoscale simulation. The model calculates the microkinetic energy generated by dynamic loading and stores it as an internal state variable. The rate of production and dissipation of microkinetic energy and other model parameters are calibrated based on the mesoscale results. The augmented continuum model represents the deviatoric stress behavior observed under different regimes of dynamic loading. C1 [Lomov, Ilya.; Fujino, Don; Antoun, Tarabay; Vitali, Efrem] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lomov, I (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. NR 3 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686555 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300343 ER PT S AU Lomov, IN Herbold, EB Austin, RA AF Lomov, Ilya N. Herbold, Eric B. Austin, Ryan A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MESOSCALE STUDIES OF MIXING IN REACTIVE MATERIALS DURING SHOCK LOADING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE reactive material; diffusion; hydrocode simulation ID INDUCED CHEMICAL-REACTIONS; NUMERICAL-SIMULATION; POWDER MIXTURES AB One of the requisite processes for chemical reactions between solid powder particles resulting from shock loading is that the particles undergo large deformations, exposing new surfaces while mixing with surrounding material. Reactions under shock loading occur in a reaction zone, the extent of which is defined by the interfacial surface area and the depth of the diffusion layer. The former depends on the level of hydrodynamic mixing of heterogeneous material under shock, while the latter depends on temperature-dependent species diffusion. To investigate diffusion-limited reactions at the grain scale level, mass diffusion and simple reaction kinetics depending on the interfacial surface area have been implemented in an Eulerian hydrocode GEODYN. Diffusion-reaction processes that are initiated by rapid heating of a Ni/Al nano-laminate and by shock loading of a micron-scale Ni/Al powder mixture are considered. C1 [Lomov, Ilya N.; Herbold, Eric B.; Austin, Ryan A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lomov, IN (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RI Austin, Ryan/J-9003-2014; Herbold, Eric/G-3432-2011 OI Herbold, Eric/0000-0002-9837-1824 NR 13 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686383 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300171 ER PT S AU Lu, CH Remington, BA Maddox, BR Kad, B Park, HS Prisbrey, ST Luo, R Meyers, MA AF Lu, C. H. Remington, B. A. Maddox, B. R. Kad, B. Park, H. S. Prisbrey, S. T. Luo, R. Meyers, M. A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI LASER COMPRESSION OF MONOCRYSTALLINE TANTALUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Tantalum; single crystal; laser shock ID COPPER-ALUMINUM ALLOYS; SHOCK COMPRESSION AB Monocrystalline tantalum with orientations [100] and [111] was subjected to laser driven compression at laser energies of 350 to 685 J, generating shock amplitudes varying from 15 to 100 GPa. The laser beam, with a beam spot diameter of similar to 1 mm, created a crater of significant depth (similar to 80 to similar to 200 mu m). Twins were observed just below the crater surface (similar to 42 mu m) by back-scattered SEM. Transmission electron microscopy (TEM) revealed profuse mechanical twinning within a distance from the energy deposition surface of similar to 1.5 mm at 684 J compression power, corresponding to an approximate pressure of 35 GPa. The decay of the pulse through the specimens was accompanied by an attendant decrease in the density of shock-generated dislocations. Microhardness measurements were conducted on the recovered samples. The experimentally measured dislocation densities and threshold stress for twinning are compared with predictions using analyses based on the constitutive response and the similarities and differences are discussed in terms of the mechanisms of defect generation. C1 [Lu, C. H.; Kad, B.; Luo, R.; Meyers, M. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Remington, B. A.; Maddox, B. R.; Park, H. S.; Prisbrey, S. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lu, CH (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. RI Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU UC Research Laboratories (UCRL); National Laser Users Facility (NLUF); ORNL; Division of Scientific User Facility, US Department of Energy FX This work was performed under the auspices of the UC Research Laboratories (UCRL) Grant and the National Laser Users Facility (NLUF) Grant. Electron Microscopy was conducted at the SHaRE User Facility, which is sponsored at ORNL by the Division of Scientific User Facility, US Department of Energy. NR 12 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686541 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300329 ER PT S AU Magyar, RJ Root, S Haill, TA Schroen, DG Mattsson, TR Flicker, DG AF Magyar, R. J. Root, S. Haill, T. A. Schroen, D. G. Mattsson, T. R. Flicker, D. G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI EQUATIONS OF STATE OF MIXTURES: DENSITY FUNCTIONAL THEORY (DFT) SIMULATIONS AND EXPERIMENTS ON SANDIA'S Z MACHINE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE mixtures; xenon; deuterium; EOS; DFT-MD ID INITIO MOLECULAR-DYNAMICS; AUGMENTED-WAVE METHOD; STAGED Z-PINCH; FUSION AB Mixtures of materials are expected to behave quite differently from their isolated constituents, particularly when the constituents atomic numbers differ significantly. To investigate the mixture behavior, we performed density functional theory (DFT) calculations on xenon/hydrogen (deuterium) mixtures. Since the DFT simulations treat electrons and nuclei generically, simulations of pure and mix systems are expected to be of comparable accuracy, and we present a method to simulate mixtures at constant pressure, an approach that makes comparisons between different mix models straightforward. C1 [Magyar, R. J.; Root, S.; Haill, T. A.; Mattsson, T. R.; Flicker, D. G.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Schroen, D. G.] Gen Atom, Albuquerque, NM 87185 USA. RP Magyar, RJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL8500] 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 Energys National Nuclear Security Administration under contract DE-AC04-94AL8500. NR 22 TC 0 Z9 0 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686494 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300282 ER PT S AU Maines, WR Borg, J Reinhart, WD Neel, C Nixon, M Chhabildas, LC AF Maines, W. R. Borg, J. Reinhart, W. D. Neel, C. Nixon, M. Chhabildas, L. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RELEASE STATES IN ALUMINUM FOAM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE aluminum foam; release states; CTH; mesoscale simulations AB We report isentropic release states of uniaxial strain experiments and simulations on 6101 T-6 48-50% density open-cell aluminum foam compressed up to 10 GPa. Mesoscale simulations of the dynamic response of the foam are compared to experimental measurements and are used to build continuum constitutive relations. The mesoscale simulations capture the Hugoniot and the release behavior in the foam extremely well. The resulting constitutive relations built from mesoscale simulations compare favorably to those built from experimental results. C1 [Maines, W. R.; Neel, C.; Nixon, M.; Chhabildas, L. C.] USAF, Res Lab, Damage Mech Branch, Eglin AFB, FL 32542 USA. [Borg, J.] Marquette Univ, Mech Engn Dept, Milwaukee, WI 53233 USA. [Reinhart, W. D.] Shock Thermodynam & Res, Sandia Natl Labs, Albuquerque, NM 87110 USA. RP Maines, WR (reprint author), USAF, Res Lab, Damage Mech Branch, Eglin AFB, FL 32542 USA. OI Maines, Warren/0000-0002-6708-0151 FU Defense Threat Reduction Agency; Air Force Office of Scientific Research FX Funding provided by Defense Threat Reduction Agency and Air Force Office of Scientific Research. NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686552 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300340 ER PT S AU Manner, VW Sheffield, SA Dattelbaum, DM Stahl, DB AF Manner, V. W. Sheffield, S. A. Dattelbaum, D. M. Stahl, D. B. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK COMPRESSION OF FORMIC ACID SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock compression; Hugoniot; formic acid; HCOOH; equation of state; chemical reaction AB Simple molecules such as formic acid, HCOOH, have been suggested to play important roles in the origin of life due to their high pressure and temperature chemistry. The hydrogen bonding characteristics and polymerization of HCOOH under static high pressure have been recently investigated using both molecular dynamics calculations and experimental work. These works suggest that symmetric hydrogen bonding of HCOOH (forming a linear chain polymer where all C-O bonds are equivalent) occurs at 16 - 21 GPa at room temperature. In order to examine the shock compression behavior of this simple carboxylic acid, we present a series of gas gun-driven plate impact experiments on formic acid with shock inputs in the range of 5.5 - 23.0 GPa. Using in-situ electromagnetic gauges, shock wave profiles (particle velocities) were measured at multiple positions as a function of shock input pressure, providing valuable information about its unreacted equation of state. No easily recognizable shock-induced reactions were observed in any of the four experiments, and the four points lie close to a universal liquid Hugoniot based only on the sound speed of formic acid. C1 [Manner, V. W.] Los Alamos Natl Lab, Explos Applicat & Special Projects, MS-C920, Los Alamos, NM 87545 USA. [Sheffield, S. A.; Dattelbaum, D. M.; Stahl, D. B.] Los Alamos Natl Lab, Shock & Detonat Phys, Los Alamos, NM 87545 USA. RP Manner, VW (reprint author), Los Alamos Natl Lab, Explos Applicat & Special Projects, MS-C920, Los Alamos, NM 87545 USA. FU LDRD project [20110012DR]; Public release [LA-UR 11-04389] FX We thank B. Bartram, L. Gibson, and A. Pacheco for shooting the gun. LDRD project # 20110012DR. Public release #: LA-UR 11-04389. NR 14 TC 2 Z9 2 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686254 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300042 ER PT S AU Martin, BE Flater, PJ Abrahams, RA Neel, CH Reinhart, WD Chhabildas, LC AF Martin, Bradley E. Flater, Philip J. Abrahams, Rachel A. Neel, Christopher H. Reinhart, William D. Chhabildas, Lalit C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DYNAMIC CHARACTERIZATION OF EGLIN STEEL BY SYMMETRIC IMPACT EXPERIMENTATION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ES-1; steel; symmetric impact; shock AB Well-controlled impact studies have been conducted on heat treated ES-1 (i.e. Eglin steel) to determine their dynamic material properties. In particular gas-gun and time-resolved laser interferometry was used to measure the fine structure in the particle velocity profile resulting from symmetric impact. Nominal impact pressures range from 8 to 20 GPa at corresponding impact velocities of 0.400 km/s and 1.00 km/s, respectively. These experiments have allowed us to estimate the dynamic yield and spall strengths and phase transition kinetics of the material. C1 [Martin, Bradley E.; Flater, Philip J.; Abrahams, Rachel A.; Neel, Christopher H.; Chhabildas, Lalit C.] USAF, Res Lab, Munit Directorate, Eglin AFB, FL 32542 USA. [Reinhart, William D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Martin, BE (reprint author), USAF, Res Lab, Munit Directorate, Eglin AFB, FL 32542 USA. NR 3 TC 1 Z9 1 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686441 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300229 ER PT S AU Martin, MR Lemke, RW McBride, RD Davis, JP Knudson, MD AF Martin, M. R. Lemke, R. W. McBride, R. D. Davis, J-P Knudson, M. D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ANALYSIS OF CYLINDRICAL RAMP COMPRESSION EXPERIMENT WITH RADIOGRAPHY BASED SURFACE FITTING METHOD SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shockless compression; z-pinch; cylindrical convergence; beryllium ID ISENTROPIC COMPRESSION AB The shockless compression of a cylindrical liner Z-pinch is explored as a method to obtain high pressure states while minimizing the entropy production in the target material. Experiments with beryllium liners on the Z-machine resulted in radiographic profiles at four different times in the liner's trajectory. From these results, we infer the longitudinally and azimuthally averaged material density, material pressure, and magnetic pressure along with their uncertainties. By combining these results with magnetohydrodynamic simulation, we obtain a pressure versus density response in solid beryllium up to 2.4Mbar. We conclude that the pressure versus density response for material samples in the 10Mbar range is achievable on the Z-machine with improved radiographic capability. C1 [Martin, M. R.; Lemke, R. W.; McBride, R. D.; Davis, J-P; Knudson, M. D.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Martin, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX 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 10 TC 5 Z9 5 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686292 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300080 ER PT S AU Millett, JCF Cotton, M Whiteman, G Bourne, NK Park, NT Gray, GT AF Millett, J. C. F. Cotton, M. Whiteman, G. Bourne, N. K. Park, N. T. Gray, G. T., III BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SHOCK RESPONSE OF BODY CENTERED CUBIC METALS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Plate impact; bcc; shear strength; rise time ID PEAK PRESSURE; DEFORMATION; MOLYBDENUM; BEHAVIOR; NICKEL AB Over the past few years, a research programme has been in place to examine the shock response of body centred cubic metals such as tantalum and tungsten. Examination of the development of shear strength behind the shock front has shown common behaviour in that a marked decrease has been noted, both in the pure metals and their simple alloys. This has been ascribed to the low generation of new dislocation line length due to the high Peierls stresses found in these metals. However more recent work in niobium and molybdenum has shown a more constant response in shear strength due to either a much lower Peierls stress (niobium) or the possibility of twin formation (molybdenum). Examination of the rise times in rear surface velocity traces in these materials has also shown a degree of agreement with changes in lateral stress behind the shock front. C1 [Millett, J. C. F.; Cotton, M.; Whiteman, G.; Bourne, N. K.; Park, N. T.] AWE, Reading RG7 4PR, Berks, England. [Gray, G. T., III] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. RP Millett, JCF (reprint author), AWE, Reading RG7 4PR, Berks, England. NR 17 TC 2 Z9 2 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686465 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300253 ER PT S AU Mniszewski, SM Cawkwell, MJ Germann, TC AF Mniszewski, S. M. Cawkwell, M. J. Germann, T. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MOLECULAR DYNAMICS SIMULATIONS OF DETONATION ON THE ROADRUNNER SUPERCOMPUTER SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; REBO AB potential; hybrid computing AB The temporal and spatial scales intrinsic to a real detonating explosive are extremely difficult to capture using molecular dynamics (MD) simulations. Nevertheless, MD remains very attractive since it allows for the resolution of dynamic phenomena at the atomic scale. Large-scale reactive MD simulations in three dimensions require immense computational resources even when simple reactive force fields are employed. We focus on the REBO force field for 'AB' since it has been shown to support a detonation while being simple, analytic, and short-ranged. The transition from two-to three-dimensional simulations is being facilitated by the port of the REBO force field in the parallel MD code SPaSM to LANL's petaflop supercomputer 'Roadrunner'. We provide a detailed discussion of the challenges associated with computing interatomic forces on a hybrid Opteron/Cell BE computational architecture. C1 [Mniszewski, S. M.; Cawkwell, M. J.; Germann, T. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mniszewski, SM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Mniszewski, Susan/0000-0002-0077-0537; Germann, Timothy/0000-0002-6813-238X; Cawkwell, Marc/0000-0002-8919-3368 NR 13 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686515 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300303 ER PT S AU Molitoris, JD Batteux, JD Garza, RG Tringe, JW Souers, PC Forbes, JW AF Molitoris, J. D. Batteux, J. D. Garza, R. G. Tringe, J. W. Souers, P. C. Forbes, J. W. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MIX AND INSTABILITY GROWTH FROM OBLIQUE SHOCK SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock Mix; Hydrodynamic Instability; Shock Waves in Solids; Turbulent Mixing AB We have studied the formation and evolution of shock-induced mix resulting from interface features in a divergent cylindrical geometry. In this research a cylindrical core of high-explosive was detonated to create an oblique shock wave and accelerate the interface. The interfaces studied were between high-explosive/aluminum, aluminum/plastic, and plastic/air. Surface features added to the aluminum were used to modify this interface. Time sequence radiographic imaging quantified the resulting instability formation from the growth phase to over 60 mu s post-detonation, thus allowing the study of the onset of mix and evolution to turbulence. The plastic used here was porous polyethylene. Radiographic image data are compared with numerical simulations of the experiment. C1 [Molitoris, J. D.; Batteux, J. D.; Garza, R. G.; Tringe, J. W.; Souers, P. C.] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. [Forbes, J. W.] Energe Technol Ctr, La Plata, MD USA. RP Molitoris, JD (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. FU U. S. Department of Energy [DE-AC52-07NA27344] FX The authors wish to thank the LLNL HEAF operations staff. Sabrina Fletcher deserves credit for a wonderful job on the data reduction, illustrations, and preparation of this manuscript.Partial support for this research was obtained from the Advanced Energetics Program, Defense Threat Reduction Agency. This work performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 5 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686606 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300394 ER PT S AU Mulford, RN Swift, DC AF Mulford, R. N. Swift, D. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SENSITIVITY OF PBX-9502 AFTER RATCHET GROWTH SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ratchet growth; TATB; PBX-9502; explosive initiation ID TATB-BASED EXPLOSIVES; THERMAL-EXPANSION AB Ratchet growth, or irreversible thermal expansion of the TATB-based plastic-bonded explosive PBX-9502, leads to increased sensitivity, as a result of increased porosity. The observed increase of between 3.1 and 3.5 volume percent should increase sensitivity according to the published Pop-plots for PBX-9502 [1]. Because of the variable size, shape, and location of the increased porosity, the observed sensitivity of the ratchet-grown sample is less than the sensitivity of a sample pressed to the same density. Modeling of the composite, using a quasi-harmonic EOS for unreacted components [2] and a robust porosity model for variations in density [3], allowed comparison of the initiation observed in experiment with behavior modeled as a function of density. An Arrhenius model was used to describe reaction, and the EOS for products was generated using the CHEETAH code [4]. A 1-D Lagrangian hydrocode was used to model in-material gauge records and the measured turnover to detonation, predicting greater sensitivity to density than observed for ratchet-grown material. This observation is consistent with gauge records indicating intermittent growth of the reactive wave, possibly due to inhomogeneities in density, as observed in SEM images of the material [5]. C1 [Mulford, R. N.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Swift, D. C.] Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94550 USA. RP Mulford, RN (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 15 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686281 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300069 ER PT S AU Murphy, MJ Clarke, SA AF Murphy, Michael J. Clarke, Steven A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SIMULTANEOUS PHOTONIC DOPPLER VELOCIMETRY AND ULTRA-HIGH SPEED IMAGING TECHNIQUES TO CHARACTERIZE THE PRESSURE OUTPUT OF DETONATORS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Detonator; Shock Wave; PMMA; Ultra-High Speed; PDV AB Detonator output directed into both ambient air and polymethylmethacrylate (PMMA) windows is simultaneously investigated using ultra-high speed, time-resolved imaging and photonic Doppler velocimetry (PDV) measurements. In air, one-dimensional measurements of detonator cup position are made from time-resolved image sequences and compared to time-integrated velocity curves obtained from the PDV data. The results demonstrate good agreement that validates using the two methods concurrently to measure the motion of the detonator free-surface. In PMMA windows, instantaneous shock velocities are calculated from 1-D time-resolved measurements of shock position and known velocity-Hugoniot data are utilized to map the shock velocity calculations to corresponding values of mass velocity and shock pressure. Simultaneous PDV data describing the motion of the detonator cup/PMMA interface are used to determine the mass velocity and pressure at the interface, and to compare to the mass and shock pressures calculated from the imaging data. Experimental results are in good agreement with empirical detonation-and shock-interaction calculations, as well as 1-D numerical simulations. C1 [Murphy, Michael J.; Clarke, Steven A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Murphy, MJ (reprint author), Los Alamos Natl Lab, MS P950, Los Alamos, NM 87545 USA. NR 8 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686303 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300091 ER PT S AU Najjar, FM Howard, WM Fried, LE Manaa, MR Nichols, A Levesque, G AF Najjar, F. M. Howard, W. M. Fried, L. E. Manaa, M. R. Nichols, A., III Levesque, G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI COMPUTATIONAL STUDY OF 3-D HOT-SPOT INITIATION IN SHOCKED INSENSITIVE HIGH-EXPLOSIVE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hydrodynamics; reactive flow; shocked TATB; pore collapse; Cheetah; ALE3D ID EQUATION-OF-STATE AB High-explosive (HE) material consists of large-sized grains with micron-sized embedded impurities and pores. Under various mechanical/thermal insults, these pores collapse generating high-temperature regions leading to ignition. A hydrodynamic study has been performed to investigate the mechanisms of pore collapse and hot spot initiation in TATB crystals, employing a multiphysics code, ALE3D, coupled to the chemistry module, Cheetah. This computational study includes reactive dynamics. Two-dimensional high-resolution large-scale meso-scale simulations have been performed. The parameter space is systematically studied by considering various shock strengths, pore diameters and multiple pore configurations. Preliminary 3-D simulations are undertaken to quantify the 3-D dynamics. C1 [Najjar, F. M.] Lawrence Livermore Natl Lab, Div B, 7000 E Ave,L-95, Livermore, CA 94551 USA. [Howard, W. M.; Fried, L. E.; Manaa, M. R.; Nichols, A., III; Levesque, G.] Lawrence Livermore Natl Lab, CMELS Div, Livermore, CA 94551 USA. RP Najjar, FM (reprint author), Lawrence Livermore Natl Lab, Div B, 7000 E Ave,L-95, Livermore, CA 94551 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 FU Lawrence Livermore National Security [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Security under contract No. DE-AC52-07NA27344. The authors acknowledge the numerous discussions with C. Tarver, R. McCallen, and N. Barton. NR 8 TC 5 Z9 5 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686267 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300055 ER PT S AU Neel, CH Chhabildas, LC Reinhart, WD AF Neel, C. H. Chhabildas, L. C. Reinhart, W. D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A REVIEW OF RESHOCK DATA FOR PMMA ABOVE THE PHASE TRANSITION AND THE IMPLIED GRUNEISEN COEFFICIENT SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE PMMA; Hugoniot; reshock AB PMMA (poly methyl methacrylate) is an important material to characterize, both as a model glassy polymer and as a window for interferometry techniques. Recently, PMMA reshock experimental results have been reported which implied a large thermal pressure component for PMMA reshocked from about 45 GPa. This work calls into question the high pressure, primary Hugoniot data the original conclusions were based on and presents an alternative explanation, namely, that the average Gruneisen coefficient, as indicated by the Mie-Gruneisen EOS, is too small to be inferred by the experimental data. C1 [Neel, C. H.; Chhabildas, L. C.] USAF, Res Lab, Eglin AFB, FL 32542 USA. [Reinhart, W. D.] Sandia Natl Labs, Albuquerque, NM USA. RP Neel, CH (reprint author), USAF, Res Lab, Eglin AFB, FL 32542 USA. NR 7 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686392 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300180 ER PT S AU Nichols, AL AF Nichols, Albert L., III BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI IMPROVING THE MODEL FIDELITY FOR THE MECHANICAL RESPONSE IN A THERMAL COOKOFF OF HMX SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Thermal Cookoff; HMX; LX-10; ALE3D ID EXPLOSIVES; SUBLIMATION AB Understanding the response of energetic materials to adverse thermal environments is necessary to have confidence in the safety of those systems. In the past few years we have been improving our thermal-mechanical-chemical modeling of HMX/Viton-A based systems. Time to event predictions are very good, to within a degree of the experimental result. However, the chemical network/reaction rates are under constrained, and many networks can achieve the same level of accuracy. Recently, we have significantly improved the mechanical response modeling by the inclusion of porosity and surface tension in the solid species in the reaction network. Here we consider the effect of HMX sublimation on the reaction network, and also consider the effect of the trapped gas in the ullage space on the overall mechanical response of the models of experiments like the Scaled Thermal Explosion eXperiemt. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Nichols, AL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 10 TC 0 Z9 0 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686338 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300126 ER PT S AU Oro, DM Hammerberg, JE Buttler, WT Mariam, FG Morris, C Rousculp, C Stone, JB AF Oro, D. M. Hammerberg, J. E. Buttler, W. T. Mariam, F. G. Morris, C. Rousculp, C. Stone, J. B. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A CLASS OF EJECTA TRANSPORT TEST PROBLEMS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ejecta; ejecta transport; particle drag / breakup AB Hydro code implementations of ejecta dynamics at shocked interfaces presume a source distribution function of particulate masses and velocities, f(0)(m, u; t). Some properties of this source distribution function have been determined from Taylor-and supported-shockwave experiments. Such experiments measure the mass moment of f(0) under vacuum conditions assuming weak particle-particle interactions and, usually, fully inelastic scattering (capture) of ejecta particles from piezoelectric diagnostic probes. Recently, planar ejection of W particles into vacuum, Ar, and Xe gas atmospheres have been carried out to provide benchmark transport data for transport model development and validation. We present those experimental results and compare them with modeled transport of the W-ejecta particles in Ar and Xe. C1 [Oro, D. M.; Buttler, W. T.; Mariam, F. G.; Morris, C.; Stone, J. B.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. [Hammerberg, J. E.; Rousculp, C.] Los Alamos Natl Lab, X Computat Phys, Los Alamos, NM 87544 USA. RP Oro, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. OI Morris, Christopher/0000-0003-2141-0255 NR 2 TC 9 Z9 9 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686531 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300319 ER PT S AU Park, HS Barton, NR Belof, JL Blobaum, KJM Cavallo, RM Comley, AJ Maddox, BR May, MJ Pollaine, SM Prisbrey, ST Remington, BA Rudd, RE Swift, DW Wallace, RJ Wilson, MJ Nikroo, A Giraldez, E AF Park, Hye-Sook Barton, N. R. Belof, J. L. Blobaum, K. J. M. Cavallo, R. M. Comley, A. J. Maddox, B. R. May, M. J. Pollaine, S. M. Prisbrey, S. T. Remington, B. A. Rudd, R. E. Swift, D. W. Wallace, R. J. Wilson, M. J. Nikroo, A. Giraldez, E. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI EXPERIMENTAL RESULTS OF TANTALUM MATERIAL STRENGTH AT HIGH PRESSURE AND HIGH STRAIN RATE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE High pressure Material Strength; Ta plasticity at high pressure; dynamic material properties under high strain rate ID MODEL AB We are studying material strength at high pressures (>1 Mbar) and high strain rates (10(6) - 10(8) sec(-1)) in Ta using the Omega laser. The Ta sample is maintained well below the melt temperature using a quasi-isentropic ramped drive based on a reservoir-gap-sample configuration. The strength is inferred from measurements of the growth of pre-imposed sinusoidal ripples on the sample via the Rayleigh-Taylor (RT) instability. The material strength can greatly suppress RT growth rate via an effective lattice viscosity (H. S. Park, et al., Phys. Rev. Lett. 104, 135504 (2010)). Our recent experiments measure the Ta RT growth in face-on radiography configuration. We find that the recently developed multi-scale dynamic material strength model matches our measured Ta RT strength data well, whereas the other constituent strength models disagree with our experimental observations. C1 [Park, Hye-Sook; Barton, N. R.; Belof, J. L.; Blobaum, K. J. M.; Cavallo, R. M.; Maddox, B. R.; May, M. J.; Pollaine, S. M.; Prisbrey, S. T.; Remington, B. A.; Rudd, R. E.; Swift, D. W.; Wallace, R. J.; Wilson, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Nikroo, A.; Giraldez, E.] Gen Atom, San Diego, CA 92121 USA. [Comley, A. J.] Atom Weapons Establishment, Reading RG7 4PR, Berks, England. RP Park, HS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU Lawrence Livermore National Security; LLC; (LLNS) [DE-AC52-07NA27344] FX This work was performed under the auspices of the Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52-07NA27344. NR 13 TC 1 Z9 1 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686536 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300324 ER PT S AU Parker, GR Dickson, P Asay, BW Smilowitz, LB Henson, BF McAfee, JM AF Parker, G. R. Dickson, P. Asay, B. W. Smilowitz, L. B. Henson, B. F. McAfee, J. M. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI VIOLENT COOKOFF REACTIONS IN HMX-BASED EXPLOSIVES IN DDT TUBES: TRACKING LUMINOUS WAVES WITH STREAK IMAGING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Cookoff; thermal explosion; deflagration; DDT; PBX 9501; LX-07 AB Recent implementation of modern high-speed video cameras has permitted the experimental flexibility needed to revisit classic deflagration-to-detonation (DDT) tube experiments and capture novel and valuable results displaying the progression of luminous reaction from a cookoff event. The authors present select data from a series of experiments where the HMX-based high explosives PBX 9501 and LX-07 were heated above 180 degrees C for various durations to impose damage (i.e. phase transitions and void generation) before being driven to cook off. These two explosives have different polymeric binders, HMX mass fractions and cookoff responses and a comparison between the two offers mechanistic insights on how thermal explosions evolve. From this series, results will be displayed indicating a wide range of violence from somewhat mild pressure bursts, to intermediate-power compressive burns, to high-violence DDT. Image data from high temperature DDT tube experiments, where the explosive was ignited on one end, were also collected and will be included for comparison. C1 [Parker, G. R.; Dickson, P.; Asay, B. W.; McAfee, J. M.] Los Alamos Natl Lab, Grp WX 6, POB 1663,MS J564, Los Alamos, NM 87545 USA. [Smilowitz, L. B.; Henson, B. F.] Los Alamos Natl Lab, Grp C PCS, Los Alamos, NM 87545 USA. RP Parker, GR (reprint author), Los Alamos Natl Lab, Grp WX 6, POB 1663,MS J564, Los Alamos, NM 87545 USA. FU Los Alamos National Laboratory's HE Science; NSRD; Los Alamos National Laboratory; LANS; LLC; US DOE/NNSA [DE-AC52-06NA25396] FX The authors would like to express their gratitude to Los Alamos National Laboratorys HE Science, and NSR&D Programs for funding. Los Alamos National Laboratory is managed by LANS, LLC., on behalf of the US DOE/NNSA, under contract DE-AC52-06NA25396. NR 4 TC 1 Z9 1 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686375 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300163 ER PT S AU Perez-Bergquist, AG Escobedo, JP Trujillo, CP Cerreta, EK Gray, GT Brandl, C Germann, TC AF Perez-Bergquist, A. G. Escobedo, J. P. Trujillo, C. P. Cerreta, E. K. Gray, G. T., III Brandl, C. Germann, T. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE ROLE OF THE STRUCTURE OF GRAIN BOUNDARY INTERFACES DURING SHOCK LOADING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Grain boundaries; Copper; TEM AB In order to understand the role of interface structure during shock loading, and specifically the role of interfaces in damage evolution due to shock, four copper bi-crystal grain boundaries (GBs) were studied under shock loading and incipient spall conditions. These boundaries, two [100]/[111] boundaries and two [100]/[100] boundaries, were characterized prior to deformation using optical microscopy (OM), electron back scattered diffraction (EBSD), and transmission electron microscopy (TEM) to determine axis/angle pair relationships and interface plane. Samples containing these boundaries were then subjected to incipient spall at 2.1 GPa and shock loading at 10 GPa, respectively, in an 80 mm gas gun. Samples were soft recovered and characterized post-mortem via EBSD and TEM. Preliminary results indicate that typical GBs readily form damage during shock loading but that special boundaries, such as twin boundaries, are resistant to failure. Differences in slip and defect transmissibility across these types of boundaries likely play a role in the failure modes. C1 [Perez-Bergquist, A. G.; Escobedo, J. P.; Trujillo, C. P.; Cerreta, E. K.; Gray, G. T., III] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Perez-Bergquist, AG (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RI Brandl, Christian/C-6405-2009; Escobedo, Juan/J-9077-2012; OI Brandl, Christian/0000-0003-1587-4678; Escobedo-Diaz, Juan/0000-0003-2413-7119; Germann, Timothy/0000-0002-6813-238X NR 4 TC 2 Z9 2 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686533 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300321 ER PT S AU Perez-Bergquist, SJ Gray, GT Maloy, SA Cerreta, EK Anderoglu, O AF Perez-Bergquist, S. J. Gray, G. T. (Rusty), III Maloy, S. A. Cerreta, E. K. Anderoglu, O. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ROLE OF STORED DEFECTS ON THE MECHANICAL RESPONSE OF SHOCK PRESTRAINED HT-9 STEEL SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock : pre-strain; annealing; steel : compression/tension characterization AB HT-9 is a 12Cr - 1Mo ferritic/martensitic steel with significant experience as cladding material in fast reactor applications. Recent investigations into precipitation of alpha' in HT-9 steel after irradiation at elevated temperatures suggests that it nucleates at dislocation loops. It is recognized that steel shocked below the alpha to epsilon high-pressure phase transformation results in a material with a high density of stored defects. These defects have profound effect on subsequent mechanical properties and with additional elevated temperature exposure could serve as nucleation sites for the alpha' precipitate. To investigate the possibility of precipitating alpha' at dislocations, HT-9 steel was shocked at a peak pressure of 11 GPa and subsequently annealed at 475 degrees C for up to 16 weeks. The mechanical response of shock prestrained HT-9 steel was investigated and compared to the mechanical response of the shocked and annealed material. Substructure and texture evolution due to shock loading was examined and mechanical response of shock prestrained HT-9 is rationalized in terms of these observations. C1 [Perez-Bergquist, S. J.; Gray, G. T. (Rusty), III; Anderoglu, O.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. [Maloy, S. A.] Los Alamos Natl Lab, SPO CNP, Los Alamos, NM 87545 USA. RP Perez-Bergquist, SJ (reprint author), Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. RI Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 FU DOENE's Fuel Cycle RD Program FX Funding for this study was provided by DOENEs Fuel Cycle R&D Program. The authors thank C.P. Trujillo for performing shock experiments and M.F. Lopez for encapsulation and aging treatments. NR 4 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686532 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300320 ER PT S AU Peterson, JH Honnell, KG Greeff, CW Johnson, JD Boettger, JC Crockett, SD AF Peterson, J. H. Honnell, K. G. Greeff, C. W. Johnson, J. D. Boettger, J. C. Crockett, S. D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI GLOBAL EQUATION OF STATE FOR COPPER SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Copper; equation of state; Hugoniot; porous Hugoniot; heat capacity ID VAPOR-PRESSURE; MELTING CURVE; CU; COMPRESSION; GOLD AB A new, tabular (SESAME format) equation of state for Cu, suitable for use in hydrodynamic simulations, is described and compared to experimental data. Pressures, internal energies, and Helmholtz free energies are tabulated as functions of temperature and density. The new equation of state builds on the theoretical investigations of Greeff, et al., (J. Phys. Chem. Solids 67, 2033 (2006)), but extends the range of densities and temperatures covered to 10(-5)-10(5) g/cc and 0-10(8)K. The static-lattice cold curve is modeled using the semi-empirical stabilized jellium equation near ambient densities, LDA and GGA density-functional predictions at moderate compressions, and Thomas-Fermi-Dirac theory at high compressions. The Johnson ionic model, which smoothly interpolates between Debye-like and ideal-gas behavior, is employed to model contributions from atomic motion, and Thomas-Fermi-Dirac theory is used for contributions from thermal electronic excitations. Predictions for the compressibility, principle and porous shock Hugoniot, thermal expansion, heat capacity, and melt line are compared with experimental data. C1 [Peterson, J. H.; Honnell, K. G.; Greeff, C. W.; Johnson, J. D.; Boettger, J. C.; Crockett, S. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Peterson, JH (reprint author), Los Alamos Natl Lab, POB 1663,MS F663, Los Alamos, NM 87545 USA. EM kgh@lanl.gov RI Greeff, Carl/N-3267-2013; Peterson, Jeffrey/N-6668-2016; OI Peterson, Jeffrey/0000-0001-9425-4674; Greeff, Carl/0000-0003-0529-0441 NR 34 TC 2 Z9 2 U1 2 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686390 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300178 ER PT S AU Plohr, JN AF Plohr, JeeYeon N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI EQUILIBRIUM CONDITIONS AT A SOLID-SOLID INTERFACE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Equilibrium; Solid-Solid Interface; Phase Transition AB We derive the thermodynamic conditions necessary for two elasto-plastic solid phases to coexist in equilibrium. In doing so, we examine the well-known case of inviscid fluids and note the underlying physical principles so that we apply them to the case of solids. Beyond temperature, velocity, and traction continuity, these conditions require continuity of a generalization of the specific Gibbs free energy. We express this quantity in the Eulerian frame, as well as the Lagrangian frame. We also show that two approaches in deriving the equilibrium conditions, one on the continuum level and the other on the atomistic scale, yield the same results. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Plohr, JN (reprint author), Los Alamos Natl Lab, Div Theoret, MS B221, Los Alamos, NM 87545 USA. NR 7 TC 0 Z9 0 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686582 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300370 ER PT S AU Preston, DN Brown, GW Skidmore, CB Reardon, BL Parkinson, DA AF Preston, D. N. Brown, G. W. Skidmore, C. B. Reardon, B. L. Parkinson, D. A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SMALL-SCALE EXPLOSIVES SENSITIVITY SAFTEY TESTING: A DEPARTURE FROM BRUCETON SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE sensitivity testing; Bruceton Up-Down; D-optimal AB In order to safely work with explosives, their sensitivity to external stimuli needs to be characterized. The Bruceton method for evaluating explosives sensitivity results has been used effectively for over six decades. This has included the skid test on the large scale, and the friction and drop weight impact tests on the small scale. The result was a 50% probability of reaction, useful for ranking the comparative responses of various explosives in order to make a practical assessment of handling safety. This paper summarizes the limitations of the Bruceton method and introduces the efficacies of the D-optimal test method. A comparison of the two approaches is provided using results for RDX, HMX, and PETN. For this paper, the Los Alamos Type 12 Drop Weight Impact apparatus is used to generate and compare 50% drop heights (H50), or mean probability of reaction, using the Bruceton and D-optimal methods. The results show that the mean obtained by the D-optimal method is not significantly different from the mean obtained by the Bruceton method, alleviating potential concerns about departing from a historical database. The D-optimal method accomplishes this by using a larger step size between consecutive tests to efficiently converge on the 17% and 83% probability points of the distribution. In the presentation we will also discuss details of our historical Bruceton testing for impact and friction sensitivity and how these tests are currently evolving in our facilities. C1 [Preston, D. N.; Brown, G. W.; Skidmore, C. B.; Reardon, B. L.; Parkinson, D. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Preston, DN (reprint author), Los Alamos Natl Lab, POB 1663,MS C920, Los Alamos, NM 87545 USA. NR 4 TC 1 Z9 1 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686378 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300166 ER PT S AU Prime, MB Chen, SR Adams, CD AF Prime, M. B. Chen, S. R. Adams, C. D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI ADVANCED PLASTICITY MODELS APPLIED TO RECENT SHOCK DATA ON BERYLLIUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Beryllium; plasticity; shock; hcp; MTS; PTW ID DEFORMATION; BEHAVIOR AB Plate impact experiments were performed on vacuum hot-pressed S-200F Beryllium. This hexagonal close-packed (HCP) metal shows significant plasticity effects. To examine the validity of plasticity models in the shock regime, the experiments were modeled using a Lagrangian hydrocode. Two constitutive strength (plasticity) models, the Preston-Tonks-Wallace (PTW) and Mechanical Threshold Stress (MTS) models, were calibrated using the same set of quasi-static and Hopkinson bar data taken at temperatures from 77K to 873K and strain rates from 0.001/sec to 4300/sec. In spite of being calibrated on the same data, the two models give noticeably different results when compared with the measured wave profiles. The reasons for the differences are explored and discussed. C1 [Prime, M. B.; Chen, S. R.; Adams, C. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Prime, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Prime, Michael/0000-0002-4098-5620 NR 10 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686455 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300243 ER PT S AU Rae, PJ Glover, BB Gunderson, JA Perry, WL AF Rae, Philip J. Glover, Brian B. Gunderson, Jake A. Perry, W. Lee BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI FREE-FIELD MICROWAVE INTERFEROMETRY FOR DETONATION FRONT TRACKING AND RUN-TO-DETONATION MEASUREMENTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Microwave Interferometry; Detonation; Run-To-Detonation ID POROUS-MEDIA; SHOCK-WAVES AB A quadrature interferometer used in a free-field measurement mode has, with the aid of a high directivity horn antenna, been successfully used to measure the detonation front of PBX-9501 within a dielectric can. Using the known length of explosive, a relative dielectric permittivity of 3.84 has been calculated for the 34 GHz frequency used. Using this value, the displacement vs. time of the detonation front can be found and hence the velocity of detonation may be calculated. This technique shows good promise as a method of measuring the run-to-detonation distance in explosives using a totally non-contacting technique. C1 [Rae, Philip J.; Glover, Brian B.; Gunderson, Jake A.; Perry, W. Lee] LANL, Los Alamos, NM 87545 USA. RP Rae, PJ (reprint author), LANL, WX-6,MS J564, Los Alamos, NM 87545 USA. OI Perry, William/0000-0003-1993-122X NR 13 TC 2 Z9 2 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686311 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300099 ER PT S AU Ravelo, R An, Q Germann, TC Holian, BL AF Ravelo, Ramon An, Qi Germann, Timothy C. Holian, Brad Lee BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS OF SHOCK INDUCED PLASTICITY IN TANTALUM SINGLE CRYSTALS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Shock waves; molecular dynamics; metals; bcc; twinning; plasticity ID EMBEDDED-ATOM METHOD; TRANSITION-METALS; BCC METALS; ALLOYS; MODEL AB We report on large-scale non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression in Ta single crystals. The atomic interactions are modeled via a recently developed and optimized embedded-atom method (EAM) potential for Ta, which reproduces the equation of state up to 200 GPa. We examined the elastic-plastic transition and shock wave structure for wave propagation along the low index directions: (100), (110) and (111). Shock waves along (100) and (111) exhibit an elastic precursor followed by a plastic wave for particle velocities below 1.1 km/s for (100) and 1.4 km/s for (111). The nature of the plastic deformation along (110) is dominated by twinning for pressures above 41 GPa. C1 [Ravelo, Ramon] Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA. [Ravelo, Ramon] Univ Texas El Paso, Mat Res Inst, El Paso, TX 79968 USA. [Ravelo, Ramon; Germann, Timothy C.; Holian, Brad Lee] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [An, Qi] CALTECH, Mat & Process Simulat Ctr, Pasadena, CA 91125 USA. RP Ravelo, R (reprint author), Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA. RI An, Qi/I-6985-2012; OI Germann, Timothy/0000-0002-6813-238X FU U.S. Department of Energy [DE-AC52-06NA25396] FX Part of this work was supported by the U.S. Department of Energy under contract DE-AC52- 06NA25396. The authors thank James E. Hammerberg, Davis Tonks and Sheng-Nian Luo for useful discussions and valuable comments. NR 14 TC 9 Z9 9 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686510 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300298 ER PT S AU Reeves, RV Mukasyan, AS Son, SF AF Reeves, R. V. Mukasyan, A. S. Son, S. F. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MICROSTRUCTURAL EFFECTS ON IGNITION SENSITIVITY IN NI/AL SYSTEMS SUBJECTED TO HIGH STRAIN RATE IMPACTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE nanocomposites; shear: initiated reaction; NiAl; arrested reactive milling AB The effect of microstructural refinement on the sensitivity of the Ni/Al (1: 1 mol%) system to ignition via high strain rate impacts is investigated. The tested microstructures include compacts of irregularly convoluted lamellar structures with nanometric features created through high-energy ball milling (HEBM) of micron size Ni/Al powders and compacts of nanometric Ni and Al powders. The test materials were subjected to high strain rate impacts through Asay shear experiments powered by a light gas gun. Muzzle velocities up to 1.1 km/s were used. It was found that the nanometric powder exhibited a greater sensitivity to ignition via impact than the HEBM material, despite greater thermal sensitivity of the HEBM. A previously unseen fast reaction mode where the reaction front traveled at the speed of the input stress wave was also observed in the nanometric mixtures at high muzzle energies. This fast mode is considered to be a mechanically induced thermal explosion mode dependent on the magnitude of the traveling stress wave, rather than a self-propagating detonation, since its propagation rate decreases rapidly across the sample. A similar mode is not exhibited by HEBM samples, although local, nonpropagating reaction zones shear bands formed during the impact event are observed. C1 [Reeves, R. V.; Son, S. F.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Mukasyan, A. S.] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Reeves, R. V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Reeves, RV (reprint author), Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. RI Mukasyan, Alexander/K-1784-2013; OI Mukasyan, Alexander/0000-0001-8866-0043; Son, Steven/0000-0001-7498-2922 FU Office of Naval Research [N0014-07-1-0969]; Laura Davidson-Winkleman Fellowship FX This work was funded by the Office of Naval Research under contract number N0014-07-1-0969 with Clifford Bedford as Program Manager. Partial funding was also provided by the Laura Davidson-Winkleman Fellowship. NR 8 TC 1 Z9 1 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686335 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300123 ER PT S AU Remington, BA Rudd, RE Barton, NR Cavallo, RM Park, HS Belof, J Comley, AJ Maddox, BR May, MJ Pollaine, SM Prisbrey, ST AF Remington, B. A. Rudd, R. E. Barton, N. R. Cavallo, R. M. Park, Hye-Sook Belof, J. Comley, A. J. Maddox, B. R. May, M. J. Pollaine, S. M. Prisbrey, S. T. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI INTERPRETATION OF LASER-DRIVEN V AND TA RAYLEIGH-TAYLOR STRENGTH EXPERIMENTS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE High pressure material strength; V and Ta plasticity at high pressure; dynamic material properties under high strain rate ID DYNAMICS AB We present theoretical and computational analysis of the deformation regimes accessed by recent Rayleigh-Taylor (RT) material strength experiments in vanadium (V) and tantalum (Ta) done at the Omega laser at high pressures (>1 Mbar) and high strain rates (10(6) - 10(8) sec(-1)). Within the context of the LLNL multiscale models, the V-RT experiment appears to be dominated by deformation in the drag regime, whereas the Ta-RT experiment resides largely within the thermal activation regime. C1 [Remington, B. A.; Rudd, R. E.; Barton, N. R.; Cavallo, R. M.; Park, Hye-Sook; Belof, J.; Maddox, B. R.; May, M. J.; Pollaine, S. M.; Prisbrey, S. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Comley, A. J.] AWE Lab, Aldermaston, England. RP Park, HS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU Lawrence Livermore National Security; LLC; (LLNS) [DE-AC52-07NA27344] FX This work was performed under the auspices of the Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52- 07NA27344. NR 7 TC 4 Z9 4 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686537 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300325 ER PT S AU Remo, JL Furnish, MD Lawrence, RJ AF Remo, J. L. Furnish, M. D. Lawrence, R. J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SOFT X-RAY SHOCK LOADING AND MOMENTUM COUPLING IN METEORITE AND PLANETARY MATERIALS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Pulsed X-rays; impulse generation; momentum transfer; z-pinch; meteorite; NEO AB X-ray momentum coupling coefficients, C-M, were determined by measuring stress waveforms in planetary materials subjected to impulsive radiation loading from the SNL Z-machine. Targets were prepared from iron and stone meteorites, dunite (primarily magnesium rich olivine) in solid and powder forms (similar to 5 - 300 mu m grains), and Si, Al, and Fe. All samples were similar to 1 mm thick and, except for Si, backed by LiF single-crystal windows. The spectra of the incident x-rays included thermal radiation (blackbody 170 - 237 eV) and line emissions from the pinch material (Cu, Ni, Al, or stainless steel). Target fluences of 0.4 - 1.7 kJ/cm(2) at intensities 43 - 260 GW/cm(2) produced front surface plasma pressures of 2.6 - 12.4 GPa. Stress waves driven into the samples were attenuating due to the short similar to 5 ns duration of the drive pulse. C-M was determined using the fact that an attenuating wave impulse is constant, and accounted for the mechanical impedance mismatch between samples and window. Values ranged from 0.8 - 3.1 x 10(-5) s/m. CTH hydrocode modeling of x-ray coupling to porous and fully dense silica corroborated experimental results and extrapolations to other materials. C1 [Remo, J. L.] Harvard Univ, Dept Earth & Planetary Sci, 20 Oxford St, Cambridge, MA 02138 USA. [Furnish, M. D.; Lawrence, R. J.] Sandia Natl Labs, MS 1195, Albuquerque, NM 87185 USA. RP Remo, JL (reprint author), Harvard Univ, Dept Earth & Planetary Sci, 20 Oxford St, Cambridge, MA 02138 USA. FU Sandia National Laboratories [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories, a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. DOEs NNSA under contract DE-AC04-94AL85000 NR 6 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686418 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300206 ER PT S AU Rothman, SD Edwards, RJ Vogler, TJ Furnish, MD AF Rothman, S. D. Edwards, R. J. Vogler, T. J. Furnish, M. D. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI INFERRING THE HIGH-PRESSURE STRENGTH OF COPPER BY MEASUREMENT OF LONGITUDINAL SOUND SPEED IN A SYMMETRIC IMPACT AND RELEASE EXPERIMENT SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Copper; shear modulus; yield strength ID ISENTROPIC COMPRESSION EXPERIMENTS AB Velocity-time histories of free- or windowed-surfaces have been used to calculate wave speeds and hence deduce the shear moduli for materials at high pressure. This is important to high velocity impact phenomena, e. g. shaped-charge jets, long rod penetrators, and other projectile/armour interactions. Historically the shock overtake method has required several experiments with different depths of material to account for the effect of the surface on the arrival time of the release. A characteristics method, previously used for analysis of isentropic compression experiments, has been modified to account for the effect of the surface interactions, thus only one depth of material is required. This analysis has been applied to symmetric copper impacts performed at Sandia National Laboratory's Star Facility. A shear modulus of 200GPa, at a pressure of similar to 180GPa, has been estimated. These results are in broad agreement with previous work by Hayes et al. C1 [Rothman, S. D.; Edwards, R. J.] AWE Aldermaston, Reading RG7 4PR, Berks, England. [Vogler, T. J.; Furnish, M. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rothman, SD (reprint author), AWE Aldermaston, Reading RG7 4PR, Berks, England. NR 10 TC 1 Z9 1 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686232 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300020 ER PT S AU Rudd, RE Comley, AJ Hawreliak, J Maddox, BR Park, HS Remington, BA AF Rudd, Robert E. Comley, Andrew J. Hawreliak, James Maddox, Brian R. Park, Hye-Sook Remington, Bruce A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THEORY AND SIMULATION OF 1D TO 3D PLASTIC RELAXATION IN TANTALUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Plasticity; Molecular Dynamics; Shock Wave; Plastic Relaxation ID DEFORMATION; FLOW AB In plane shockwaves the uniaxial strain rate can greatly exceed the rate at which dislocation flow can relax the concomitant shear stress. The result is an overdriven plastic state in which the compression is 1D uniaxial initially and only after a period of time does the lattice relax to a more 3D compressed state due to plastic flow. Here we use an analytic calculation based on a generalization of the Gilman model of flow involving dislocation evolution to predict the phases of plastic relaxation and to derive an analytic estimate of the relaxation time, including a decomposition into incubation and flow times, suitable for comparison with in-situ x-ray diffraction. We use molecular dynamics (MD) to study the threshold for homogeneous nucleation both in shock compression of single crystal Ta < 100 >. We find that shock heating on the Hugoniot substantially lowers the threshold pressure for homogeneous nucleation. C1 [Rudd, Robert E.; Hawreliak, James; Maddox, Brian R.; Park, Hye-Sook; Remington, Bruce A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Comley, Andrew J.] AWE, Reading RG7 4PR, Berks, England. RP Rudd, RE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. OI Rudd, Robert/0000-0002-6632-2681 FU LDRD program; Lawrence Livermore National Laboratory (LLNL) [09-SI-010]; supercomputer time from the Computing Grand Challenge program at LLNL; U.S. Dept. of Energy (DOE); LLNL [DE-AC52-07NA27344] FX We acknowledge discussions with N. R. Barton, J. N. Glosli, R. Minich and R. Smith. We thank J. A. Moriarty for the MGPT Ta potential and J. N. Glosli, D. F. Richards, and F. H. Streitz for the ddcMD code. We appreciate support from the LDRD program at Lawrence Livermore National Laboratory (LLNL) under project 09-SI-010 and supercomputer time from the Computing Grand Challenge program at LLNL. This work was performed under the auspices of the U.S. Dept. of Energy (DOE) by LLNL under Contract DE-AC52-07NA27344. NR 18 TC 7 Z9 7 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686538 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300326 ER PT S AU Gray, GT AF (Rusty) Gray, George T., III BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MATERIAL RESPONSE TO SHOCK/DYNAMIC LOADING: WINDOWS INTO KINETIC AND STRESS-STATE EFFECTS ON DEFECT GENERATION AND DAMAGE EVOLUTION SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock loading; deformation; defect generation; mechanisms; kinetics; dynamic damage; spall ID TANTALUM; DEFORMATION; PRESSURE AB While the field of shock-wave physics has provided significant insights into many of the processes related to wave propagation in materials, the exact operative micromechanisms of defect generation occurring during the shock and thereafter those controlling defect storage and damage evolution remain incompletely understood and poorly modeled. Attainment of a truly predictive capability to enable accurate simulations of dynamic impact, shock, and high-rate loading phenomena applications requires a linked experimental, modeling, and validation research program. In this talk an overview of the microstructural mechanisms affecting the strength of materials at high pressure and strain rates as well as the processes controlling damage evolution during shock loading will be reviewed. The spectrum of physical phenomena and the potential nation-wide experimental facilities poised to study them is discussed. In addition, the limitations and caveats involved in using only velocimetry, single-pass radiography, and/or shock recovery alone to elucidate the 3-D aspects of defect generation, storage, and recovery will be examined in detail. Examples of how both "real-time" and post-mortem experimental approaches are needed to quantify dislocation / defect generation, shock-induced phase transitions, and damage evolution and spallation will be discussed. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gray, GT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 22 TC 1 Z9 1 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686214 PG 8 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300002 ER PT S AU Salyer, TR AF Salyer, Terry R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI THE EFFECTS OF PBX 9502 RATCHET GROWTH ON DETONATION FAILURE AS DETERMINED VIA THE LANL FAILURE CONE TEST SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE detonation; failure; PBX 9502; TATB; ratchet growth; microstructure ID TATB AB The detonation failure cone test (developed at LANL) functions as a sensitive experimental technique capable of discriminating small detonation performance differences due to material microstructural variations. Detonation performance with respect to failure is visibly amplified in the edge velocity trajectory measured along a conically shaped explosive. The failure cone test has been fielded to examine the possible effects of PBX 9502 ratchet growth (material expansion due to thermal cycling) on detonation failure. Performance comparisons are made between charges of equal density, but with different microstructures due to charge preparation technique. Material porosity complexities affect hot spot distribution and thus the reaction zone characteristics of PBX 9502. The results indicate that ratchet growth does indeed affect detonation performance with respect to failure. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Salyer, TR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 5 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686264 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300052 ER PT S AU Sanchez, NJ Gustavsen, RL Gibson, LL Hooks, DE AF Sanchez, N. J. Gustavsen, R. L. Gibson, L. L. Hooks, D. E. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI GAS GUN EXPERIMENTS TO MEASURE THE SHOCK COMPRESSION BEHAVIOR OF HIGH PERFORMANCE PROPELLANT (HPP) SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Hugoniot; Shock Initiation; EOS; Ammonium Perchlorate; Propellant AB Gas-gun driven plate impact experiments were performed on High Performance Propellant (HPP) to measure the shock compression behavior and Hugoniot. HPP is a proprietary blend of ammonium-perchlorate (AP), aluminum, and plastic binder. A small amount of FeO2 gives the propellant a rust color. The primary diagnostic was embedded magnetic particle velocity gauges. The Hugoniot was determined by performing multiple experiments using different impactors and a range of impact velocities. Impact stresses ranged from 0.3 GPa to 15 GPa. Even at the highest stress no reaction was observed; none was expected. At low stress HPP exhibits viscoelastic behavior with rounded wave profiles. Hugoniot data can be described using a model based on a Murnaghan isotherm with a small amount of porosity. C1 [Sanchez, N. J.; Gustavsen, R. L.; Gibson, L. L.; Hooks, D. E.] Los Alamos Natl Lab, Shock & Detonat Phys WX 9, Los Alamos, NM 87545 USA. RP Sanchez, NJ (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys WX 9, POB 1663, Los Alamos, NM 87545 USA. OI Gustavsen, Richard/0000-0002-2281-2742 NR 7 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686345 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300133 ER PT S AU Schumacher, SC AF Schumacher, Shane C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI COMPOSITE LAYERING TECHNIQUE FOR USE IN A EULERIAN SHOCK PHYSICS CODE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Composite; shock physics ID GEOMETRIC-PROPERTIES; ARBITRARY POLYHEDRA AB The high strength and low density characteristics of fiber reinforced composite materials have made them applicable to a large variety of applications. As these applications grow, their performance in high strain rate shock environments has increased. The modeling and simulation of such materials is difficult due to their anisotropic behavior and complex internal geometries. Fiber reinforced composite materials consist of a collection of layers that create a laminate. Each layer is typically transverse isotropic or orthotropic consisting of a fiber and matrix material. One approach is to explicitly model each layer, while accurate, this is often not feasible for full system calculations as the laminate layer count increases in size. Additionally, modeling each layer given the finite thickness proves to be a challenging process and typically a smearing approach is used to represent the laminate response removing the identity and material response of each layer. The creation of a layering capability is a good compromise between the inaccuracy of smearing and the computational cost of explicitly modeling each layer. The layering is done using a sub-grid technique in an individual grid cell. The grid cell is partitioned based on layer location in the laminate and the material deformation. The volume occupied by the given layer is computed and the layer calculates a material response based on the cell strain field. The resulting material stress and state variables are volume weighted with the remaining layers in the given grid cell yielding a cell response. The result is a technique that requires less computation time than modeling each layer while increasing the accuracy over smeared approximations. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Schumacher, SC (reprint author), Sandia Natl Labs, POB 5800,MS 0836, Albuquerque, NM 87185 USA. RI jingjing, cai/M-2687-2013 NR 2 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686249 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300037 ER PT S AU Souers, PC Lauderbach, L Moua, K Garza, R AF Souers, P. C. Lauderbach, L. Moua, K. Garza, R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI SIZE EFFECT AND CYLINDER TEST ON SEVERAL COMMERCIAL EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Size effect; diameter effect; detonation velocity; detonation energy; Cylinder test AB Some size (diameter) effect and the Cylinder test results for Kinepak (ammonium nitrate/nitromethane), Semtex 1, Semtex H and urea nitrate are presented. Cylinder test data appears normal despite faster sound speeds in the copper wall. Most explosives come to steady state in the Cylinder test as expected, but Kinepak shows a steadily increasing wall velocity with distance down the cylinder. Some data on powder densities as a function of loading procedure are also given. C1 [Souers, P. C.; Lauderbach, L.; Moua, K.; Garza, R.] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Souers, PC (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. NR 5 TC 0 Z9 0 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686289 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300077 ER PT S AU Springer, HK Glascoe, EA Reaugh, JE Kercher, JR Maienschein, JL AF Springer, H. K. Glascoe, E. A. Reaugh, J. E. Kercher, J. R. Maienschein, J. L. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MESOSCALE MODELING OF DEFLAGRATION-INDUCED DECONSOLIDATION IN POLYMER-BONDED EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Deflagration-induced damage; deconsolidation; convective burning; mesoscale; ALE3D ID HMX AB Initially undamaged polymer-bonded explosives can transition from conductive burning to more violent convective burning via rapid deconsolidation at higher pressures. The pressure-dependent infiltration of cracks and pores, i.e., damage, by product gases at the burn-front is a key step in the transition to convective burning. However, the relative influence of pre-existing damage and the evolution of deflagration-induced damage during the transition to convective burning is not well understood. The objective of this study is to investigate the role of microstructure and initial pressurization on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX-Viton A served as our model explosive. A Prout-Tompkins chemical kinetic model, Vielle's Law pressure-dependent burning, Gruneisen equation-of-state, and simplified strength model were used for the HMX. The propensity for deconsolidation increased with increasing defect size and decreasing initial pressurization, as measured by the increase in burning surface area. These studies are important because they enable the development of continuum-scale damage models and the design of inherently safer explosives. C1 [Springer, H. K.; Glascoe, E. A.; Reaugh, J. E.; Kercher, J. R.; Maienschein, J. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Springer, HK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 20 TC 2 Z9 2 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686376 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300164 ER PT S AU Stewart, DS Fried, LE Szuck, M AF Stewart, D. Scott Fried, Laurence E. Szuck, Matthew BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI DETONATION THEORY FOR CONDENSED PHASE EXPLOSIVES WITH ANISOTROPIC PROPERTIES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Ultra-fast detonation; anisotropic; crystals AB Detonation theory for condensed phase explosives with anisotropic properties is relevant to energetic materials that are crystals in their unreacted state and have anisotropic material properties due to their underlying molecular structure. For example, crystalline, molecular explosives like PETN and azides, depending on which crystal face is shocked, initiate detonation at different shock pressures. We discuss our recent efforts to construct a theory of sustained detonation that has strong directionally dependent effects and properties. We propose a continuum, phase-field theory that is capable of describing the transition from anisotropic unreacted solid to reacted condensed products. The material behavior is allowed to include anisotropic elasticity, heat conduction and reaction. C1 [Stewart, D. Scott; Szuck, Matthew] Univ Illinois, Mech Sci Engn, Urbana, IL 61801 USA. [Fried, Laurence E.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Stewart, DS (reprint author), Univ Illinois, Mech Sci Engn, Urbana, IL 61801 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 FU LLNL; DOE-LLNL [B586089]; DTRA [HDTRA1-10-1-0020] FX DSS and MS were supported LLNL, DOE-LLNL B586089. LEF was supported by LLNL. DSS was also supported by DTRA HDTRA1-10-1-0020. NR 6 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686269 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300057 ER PT S AU Swift, DC Hawreliak, JA Braun, D Kritcher, A Glenzer, S Collins, G Rothman, SD Chapman, D Rose, S AF Swift, Damian C. Hawreliak, James A. Braun, David Kritcher, Andrea Glenzer, Siegfried Collins, Gilbert Rothman, Stephen D. Chapman, David Rose, Steven BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI GIGABAR MATERIAL PROPERTIES EXPERIMENTS ON NIF AND OMEGA SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock; equation of state; laser ID RAY THOMSON SCATTERING; MATTER AB The unprecedented laser capabilities of the National Ignition Facility (NIF) make it possible for the first time to countenance laboratory-scale experiments in which gigabar pressures can be applied to a reasonable volume of material, and sustained long enough for percent level equation of state measurements to be made. We describe the design for planned experiments at the NIF, using a hohlraum drive to induce a spherically-converging shock in samples of different materials. Convergence effects increase the shock pressure to several gigabars over a radius of over 100 microns. The shock speed and compression will be measured radiographically over a range of pressures using an x-ray streak camera. In some cases, we will use doped layers to allow a radiographic measurement of particle velocity. C1 [Swift, Damian C.] Lawrence Livermore Natl Lab, PLS CMMD, 7000 East Ave, Livermore, CA 94551 USA. [Hawreliak, James A.; Braun, David; Kritcher, Andrea; Glenzer, Siegfried; Collins, Gilbert] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Rothman, Stephen D.; Chapman, David] Atom Weap Estab, Reading RG7 4PR, Berks, England. [Rose, Steven] Imperial Coll, Dept Phys, London SW7 2AZ, England. RP Swift, DC (reprint author), Lawrence Livermore Natl Lab, PLS CMMD, 7000 East Ave, Livermore, CA 94551 USA. FU U.S. Department of Energy [DE-AC52-07NA27344] FX We would like to thank Dr Damien Hicks (Lawrence Livermore National Laboratory) for advice on radiography of hohlraum-driven samples. This work was performed under the auspices of the U.S. Department of Energy under contract #DE-AC52-07NA27344. NR 13 TC 5 Z9 5 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686321 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300109 ER PT S AU Swift, DC Yuan, VW Kraus, RG McNaney, JM Higginson, DP MacKinnon, A Beg, F Lancaster, K Nakamura, H AF Swift, Damian C. Yuan, Vincent W. Kraus, Richard G. McNaney, James M. Higginson, Drew P. MacKinnon, Andrew Beg, Farhat Lancaster, Kate Nakamura, Hiroyuki BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI NEUTRON RESONANCE SPECTROMETRY FOR TEMPERATURE MEASUREMENT DURING DYNAMIC LOADING SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE shock physics; temperature measurement; neutron resonance spectroscopy ID SHOCK COMPRESSION AB Neutron resonance spectrometry (NRS) has been used to measure the temperature inside a metal during shock loading. The initial experiments on Mo at the LANSCE accelerator gave higher than expected temperatures. We have reconciled the temperatures with the known properties of Mo by considering strength and curvature of the shock, demonstrating that the NRS measurement worked as intended. We have developed improved designs for the explosively-driven projectiles and NRS configurations used at LANSCE: these should give much flatter shocks with less explosive, allowing NRS to be used for a wider range of studies. Pulsed neutrons can also be produced by nuclear reaction of laser-accelerated ions. We are investigating the use of high energy short pulse lasers such as TITAN to produce neutron pulses orders of magnitude higher intensity than at LANSCE. Such pulses could be used to make NRS temperature measurements on samples shock or ramp-loaded by nanosecond laser ablation to kb-Mb pressures, enabling a huge range of interesting physics to be explored. C1 [Swift, Damian C.; McNaney, James M.; Higginson, Drew P.; MacKinnon, Andrew] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. [Yuan, Vincent W.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Kraus, Richard G.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Beg, Farhat] Univ Calif San Diego, La Jolla, CA 92093 USA. [Lancaster, Kate] Rutherford Appleton Lab, Harwell OX110QX, Berks, England. [Nakamura, Hiroyuki] Osaka Univ, Toyonaka, Osaka 5608531, Japan. RP Swift, DC (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. RI McNaney, James/F-5258-2013; MacKinnon, Andrew/P-7239-2014; Higginson, Drew/G-5942-2016 OI MacKinnon, Andrew/0000-0002-4380-2906; Higginson, Drew/0000-0002-7699-3788 FU U.S. Department of Energy [DEAC52-07NA27344] FX We would like to acknowledge the contributions of those involved in the original NRS and pyrometry experiments, in particular Charles Ragan, David Bowman, Charles Forest, Achim Seifter, and David Funk. This work was performed under the auspices of the U.S. Department of Energy under contract # DEAC52-07NA27344. NR 17 TC 0 Z9 0 U1 5 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686297 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300085 ER PT S AU Tang, Y Bringa, EM Remington, BA Meyers, MA AF Tang, Y. Bringa, E. M. Remington, B. A. Meyers, M. A. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI GROWTH AND COLLAPSE OF NANOVOIDS IN TANTALUM MONOCRYSTALS LOADED AT HIGH STRAIN RATE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Void growth; dislocation loop; ductile failure; molecular dynamics ID MOLECULAR-DYNAMICS; VOID GROWTH; FCC METALS; BCC AB Shock-induced spall in ductile metals is known to occur by the sequence of nucleation, growth and coalescence of voids, even in high purity monocrystals. However, the atomistic mechanisms involved are still not completely understood. The growth and collapse of nanoscale voids in tantalum are investigated under different stress states and strain rates by molecular dynamics (MD) simulations. Three principal mechanisms of deformation are identified and quantitatively evaluated: shear loop emission, prismatic loop formation, and twinning. Dislocation shear loops expand as expected from a crystallographic analysis, and their extremities remain attached to the void surface in tension (if there is no dislocation reaction or cross slip), but can detach in compression and form prismatic loops due to cross slip and reactions. Prismatic loops that detach from the void are also formed by reaction of multiple shear loops sharing the same < 111 > slip direction during hydrostatic loading. Nanotwins form preferably upon both uniaxial and hydrostatic tensile stress. The void-size effect on plasticity is studied via MD simulations and is modeled based on the shear loop emission mechanism. The stresses required for generation of a free surface step, dislocation and bow are calculated by continuum dislocation theory. The predictions agree well with MD simulation results. C1 [Tang, Y.; Meyers, M. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Bringa, E. M.] UN Cuyo, Conicet & ICB, Mendoza, Argentina. [Remington, B. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Tang, Y (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. RI Tang, Yizhe/A-2603-2014; Meyers, Marc/A-2970-2016 OI Tang, Yizhe/0000-0002-2744-3819; Meyers, Marc/0000-0003-1698-5396 FU University of California Research Laboratory Program FX Funding was provided by the University of California Research Laboratory Program. E.M.B. thanks computer time at the SUMO cluster at the Centro Atomico Bariloche, at the TWISTER cluster at the Instituto Tecnologico Universitario in Mendoza. NR 14 TC 0 Z9 0 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686508 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300296 ER PT S AU Tappan, AS Knepper, R Wixom, RR Marquez, MP Ball, JP Miller, JC AF Tappan, Alexander S. Knepper, Robert Wixom, Ryan R. Marquez, Michael P. Ball, J. Patrick Miller, Jill C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI CRITICAL DETONATION THICKNESS IN VAPOR-DEPOSITED PENTAERYTHRITOL TETRANITRATE (PETN) FILMS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Microenergetics; microdetonics; critical diameter; critical thickness ID HIGH EXPLOSIVES AB The use of physical vapor deposition is an attractive technique to produce microenergetic samples to study sub-millimeter explosive behavior. Films of the high explosive PETN (pentaerythritol tetranitrate) were deposited through vacuum thermal sublimation. Deposition conditions were varied to understand the effect of substrate cooling capacity and substrate temperature during deposition. PETN films were characterized with surface profilometry and scanning electron microscopy. Detonation velocity versus PETN film thickness was analyzed using a variation of the standard form for analysis of the diameter effect. Results were compared with previous work conducted on PETN films deposited with lower substrate cooling capacity. Seemingly subtle variations in PETN deposition conditions led to differences in detonation behaviors such as critical thickness for detonation, detonation velocity at "infinite" thickness, and the shape of the critical thickness curves. C1 [Tappan, Alexander S.; Knepper, Robert; Wixom, Ryan R.; Marquez, Michael P.; Ball, J. Patrick; Miller, Jill C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Tappan, AS (reprint author), Sandia Natl Labs, POB 5800 MS1454, Albuquerque, NM 87185 USA. NR 5 TC 2 Z9 2 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686369 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300157 ER PT S AU Tappan, BC Manner, VW Lloyd, JM Pemberton, SJ AF Tappan, B. C. Manner, V. W. Lloyd, J. M. Pemberton, S. J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI FAST REACTIONS OF ALUMINUM AND EXPLOSIVE DECOMPOSITION PRODUCTS IN A POST-DETONATION ENVIRONMENT SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Aluminum; Gurney Energy; enhanced blast; non-ideal explosives AB In order to determine the reaction behavior of Al in RDX or HMX/cast-cured binder formulations shortly after the passage of the detonation, a series of cylinder tests was performed on formulations comprising of varying binder systems and either 3.5 mu m spherical Al or LiF (an inert salt with a similar molecular weight and density to Al). In these studies, both detonation velocity and cylinder expansion velocity are measured in order to determine exactly how and when Al contributes to the explosive event, particularly in the presence of oxidizing/energetic binders. The U. S. Army Research, Development and Engineering Laboratory at Picatinny have recently coined the term "combined effects" explosives for materials such as these; as they demonstrate both high metal pushing capability and high blast ability. This study is aimed at developing a fundamental understanding of the reaction of Al with explosives decomposition products, where both the detonation and early post-detonation environment are analyzed. Reaction rates of Al metal are investigated via comparison of predicted performance based on thermoequilibrium calculations. The detonation velocities, wall velocities, and parameters at the CJ plane are some of the parameters that will be discussed. C1 [Tappan, B. C.; Manner, V. W.; Lloyd, J. M.; Pemberton, S. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tappan, BC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 6 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686271 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300059 ER PT S AU Tarver, CM AF Tarver, Craig M. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI EFFECT OF ELECTRIC FIELDS ON THE REACTION RATES IN SHOCK INITIATING AND DETONATING SOLID EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Detonation; shock initiation; electric field effects ID CONDUCTIVITY; MOLECULES; WAVES AB The presence of a strong electric field has been demonstrated to effect the shock initiation and detonation wave propagation of solid high explosives. Several mechanisms have been proposed to explain the observed increased shock sensitivity, increased detonation velocity, and decreased failure diameter of certain explosives. The most likely chemical mechanism is postulated to be the excitation of some of the explosive molecules and/or intermediate reaction products to higher energy electronic states, which rapidly transition nonradiatively to the ground electronic state with excited vibrational states. This vibrational excitation increases the reaction rates of the explosive decomposition chain reactions. The resulting shorter duration reaction zone causes faster shock to detonation transition, decreased failure thickness, and increased detonation velocity for a specific charge diameter. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Tarver, CM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 21 TC 3 Z9 3 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686260 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300048 ER PT S AU Tasker, DG Mielke, CH Rodriguez, G Rickel, DG AF Tasker, D. G. Mielke, C. H. Rodriguez, G. Rickel, D. G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A SIMPLE MACHINE FOR ISENTROPIC COMPRESSION EXPERIMENTS (ICE) SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE ICE; isentropic compression; capacitor bank; portable; SPICE AB A single-turn magnet pulsed power system, at the Los Alamos National Laboratory (LANL) National High Magnetic Field Laboratory (NHMFL), was originally designed to measure actinide samples in extremes of high magnetic field (to 300 Tesla) [1, 2]. A simple modification to the system has converted it to a fast turnaround, inexpensive, magnetic system for Isentropic Compression Experiments (ICE). For the design and predictions of performance of the NHMFL-ICE experiment a circuit code simulation was chosen to model all aspects of the experiment, electrical and physical. This paper describes the potential performance of the system, recent experiments, and plans for a portable system. The 2.2 mu s rise time of the system allows sample thicknesses up to similar to 5 mm. With the present design the maximum stresses are similar to 50GPa (0.5 Mbar) at the maximum bank voltage of 60 kV. C1 [Tasker, D. G.; Mielke, C. H.; Rodriguez, G.; Rickel, D. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tasker, DG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Rodriguez, George/G-7571-2012 OI Rodriguez, George/0000-0002-6044-9462 NR 15 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686322 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300110 ER PT S AU Terrones, G Burkett, MW Morris, C AF Terrones, Guillermo Burkett, Michael W. Morris, Christopher BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI BURN FRONT AND REFLECTED SHOCK WAVE VISUALIZATION IN AN INERTIALLY CONFINED DETONATION OF HIGH EXPLOSIVE SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Detonation; proton radiography; burn front; reflected shocks; PAGOSA AB Proton radiography was used to investigate the spatiotemporal evolution of the burn front and associated reflected shocks on a PBX-9502 charge confined between an outer cylindrical steel liner and an inner elliptical tin liner. The charge was initiated with a PBX-9501 booster and a line wave generator at 30 degrees from the major axis of the ellipse. This configuration provides a large region where the high explosive (HE) is not within the line of sight of the detonation line and thus offers a suitable experimental platform to test various burn models and EOS formulations. In addition, the off-axis initiation allows for the burn fronts to travel around the charge through different confining paths. Simulations with the hydrocode PAGOSA were performed to assess the accuracy of several HE burn methodologies. C1 [Terrones, Guillermo; Burkett, Michael W.] Los Alamos Natl Lab, X Theoret Design, POB 1663, Los Alamos, NM 87545 USA. [Morris, Christopher] Los Alamos Natl Lab, Dept Phys, POB 1663, Los Alamos, NM 87545 USA. RP Terrones, G (reprint author), Los Alamos Natl Lab, X Theoret Design, POB 1663, Los Alamos, NM 87545 USA. OI Terrones, Guillermo/0000-0001-8245-5022; Morris, Christopher/0000-0003-2141-0255 FU U.S. Department of Energy [DE-AC52-06NA25396] FX The authors thank the support of the Proton Radiography team. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 3 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686263 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300051 ER PT S AU Thompson, AP Lane, JMD Desjarlais, MP AF Thompson, Aidan P. Lane, J. Matthew D. Desjarlais, Michael P. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MOLECULAR DYNAMICS SIMULATION OF DYNAMIC RESPONSE OF BERYLLIUM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; MEAM; thermodynamic and mechanical properties AB The response of beryllium to dynamic loading has been extensively studied, both experimentally and theoretically, due to its importance in several technological areas. We use a MEAM empirical potential to examine the melt transition. MD simulations of equilibrated two-phase systems were used to calculate the HCP melting curve up to 300 GPa. This was found to agree well with previous ab initio calculations. The Hugoniostat method was used to examine dynamic compression along the two principal orientations of the HCP crystal. In both directions, the melting transition occurred at 230 GPa and 5000 K, consistent with the equilibrium melting curve. Direct NEMD simulations of uniaxial compression show a transition to an amorphous material at shocked states that lie below the equilibrium melt curve. C1 [Thompson, Aidan P.; Lane, J. Matthew D.; Desjarlais, Michael P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Thompson, AP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 9 TC 2 Z9 2 U1 3 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686522 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300310 ER PT S AU Thompson, DG DeLuca, R Brown, GW Sandstrom, MM Hagelberg, SI Giambra, AM Hill, LG AF Thompson, D. G. DeLuca, R. Brown, G. W. Sandstrom, M. M. Hagelberg, S. I. Giambra, A. M. Hill, L. G. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI RATCHET GROWTH EXPERIMENTS ON TATB AND PBX 9502 SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE TATB; ratchet growth; IHE; PBX 9502 AB TATB (triaminotrinitrobenzene) crystals are graphitic in structure. In compacted form, with or without binder, TATB undergoes irreversible volume changes upon thermal cycling. This "ratchet growth" (RG) can change geometry and reduce density by several percent, however, the mechanism responsible remains unknown. We have conducted independent studies to shed light on the nature of RG characteristics. Using thermal mechanical analysis and dilatometry, strain values are measured in real time as temperature cycling protocols are varied. Initial work on PBX 9502 (95 weight% TATB) has led to new studies on dry-pressed TATB cylinders, thus eliminating binder contributions to the thermal response. Our results clearly show that the magnitude of RG over two different temperature ranges depends on the thermal history of the specimen. In addition, we have shown that for dry-pressed TATB, the RG magnitude over a given temperature range may depend on the temperature at which the specimen was compacted from molding powder. A pressing temperature of 130 degrees C led to specimens with significantly lower RG growth magnitude than specimens pressed at 30 or 80 degrees C. These data and their insights are being used to inform RG models. LA-UR 11-04058. C1 [Thompson, D. G.; DeLuca, R.; Brown, G. W.; Sandstrom, M. M.; Hagelberg, S. I.; Giambra, A. M.; Hill, L. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Thompson, DG (reprint author), Los Alamos Natl Lab, WX 7,MS C920,POB 1663, Los Alamos, NM 87545 USA. NR 3 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686386 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300174 ER PT S AU Thompson, DG DeLuca, R Wright, WJ AF Thompson, D. G. DeLuca, R. Wright, W. J. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI TIME-TEMPERATURE SUPERPOSITION APPLIED TO PBX MECHANICAL PROPERTIES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE PBX; PBXN; mechanical properties; time-temperature analysis AB The use of plastic-bonded explosives (PBXs) in weapon applications requires that they possess and maintain a level of structural/mechanical integrity. Uniaxial tension and compression experiments are typically used to characterize the mechanical response of materials over a wide range of temperatures and strain rates, providing the basis for predictive modeling in more complex geometries. After many years of data collection on a variety of PBX formulations, we have here applied the principles of time-temperature superposition to a mechanical properties database which includes PBX 9501, PBX 9502, PBXN-110, PBXN-9, and HPP (propellant). Consistencies are demonstrated between the results of quasi-static tension and compression, dynamic Split-Hopkinson Pressure Bar (SHPB) compression, and cantilever Dynamic Mechanical Analysis (DMA). Time-temperature relationships of maximum stress and corresponding strain values are analyzed, in addition to the more conventional analysis of modulus. The extensive analysis shows adherence to the principles of time-temperature superposition and correlations of mechanical response to binder glass-transition temperature (T-g) and specimen density. Direct ties exist between the time-temperature analysis and the underlying basis of a useful existing PBX mechanical model (ViscoSCRAM). Results give confidence that, with some limitations, mechanical response can be predicted at conditions not explicitly measured. C1 [Thompson, D. G.; DeLuca, R.; Wright, W. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Thompson, DG (reprint author), Los Alamos Natl Lab, WX 7, Los Alamos, NM 87545 USA. NR 8 TC 0 Z9 0 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686364 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300152 ER PT S AU Tonks, DL Bronkhorst, CA Bingert, JF AF Tonks, D. L. Bronkhorst, C. A. Bingert, J. F. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A COMPARISON OF CALCULATED DAMAGE FROM SQUARE WAVES AND TRIANGULAR WAVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Spallation; Ductile Damage; Square wave loading; Triangular wave loading AB Damage in plate impacts of 50 kbar and 30 kbar Cu, has been simulated with the traditional square wave loading profile of plate impacts and a triangular loading profile to study the time dependence of the damage evolution. At 30 kbar loading the square wave loading produces complete fracture while the triangular wave loading does not, similar to experiments by Koller et al. [1]. The calculated stress and strain loading histories are compared to provide insight for this result. The damage process in the triangular loading simply stops before fracture due to lack of kinetic energy. C1 [Tonks, D. L.; Bronkhorst, C. A.; Bingert, J. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tonks, DL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Bronkhorst, Curt/B-4280-2011 OI Bronkhorst, Curt/0000-0002-2709-1964 NR 3 TC 1 Z9 1 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686457 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300245 ER PT S AU Trujillo, CP Martinez, DT Burkett, MW Escobedo, JP Cerreta, EK Gray, GT AF Trujillo, C. P. Martinez, D. T. Burkett, M. W. Escobedo, J. P. Cerreta, E. K. Gray, G. T., III BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI A NOVEL USE OF PDV FOR AN INTEGRATED SMALL SCALE TEST PLATFORM SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE PDV; Damage; Deformation. Zirconium ID TENSILE-EXTRUSION RESPONSE; MECHANICAL-BEHAVIOR; ZIRCONIUM; DEFORMATION; TANTALUM; TEXTURE AB To examine the high strain and high strain rate response of structural metals, a dynamic extrusion technique has been developed at Los Alamos National Laboratory. In this study, several structural metals (copper, tantalum, and most recently zirconium) have been accelerated up to velocities of 600 m/s and extruded through a high strength steel die. A novel use of Photonic Doppler Velocimetry (PDV) has been employed to track the time and distance of the evolved deformation through the die. This integrated small-scale experiment is used to study and provide in-situ data, assisting in the modeling and understanding the dynamic response of materials. Time and distance data as well as the influence of crystallography and texture on the dynamic extrusion response of high purity zirconium will be presented. C1 [Trujillo, C. P.; Martinez, D. T.; Burkett, M. W.; Escobedo, J. P.; Cerreta, E. K.; Gray, G. T., III] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Trujillo, CP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Escobedo, Juan/J-9077-2012; OI Escobedo-Diaz, Juan/0000-0003-2413-7119 NR 8 TC 1 Z9 1 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686304 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300092 ER PT S AU Vitello, PA Fried, LE Howard, WM Levesque, G Souers, PC AF Vitello, P. A. Fried, L. E. Howard, W. M. Levesque, G. Souers, P. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI CHEMISTRY RESOLVED KINETIC FLOW MODELING OF TATB BASED EXPLOSIVES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Detonation modeling; reactive flow AB Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502. C1 [Vitello, P. A.; Fried, L. E.; Howard, W. M.; Levesque, G.; Souers, P. C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Vitello, PA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 7 TC 0 Z9 0 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686328 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300116 ER PT S AU Wagner, JL Beresh, SJ Kearney, SP Trott, WM Castaneda, JN Pruett, BO Baer, MR AF Wagner, J. L. Beresh, S. J. Kearney, S. P. Trott, W. M. Castaneda, J. N. Pruett, B. O. Baer, M. R. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI INTERACTION OF A PLANAR SHOCK WITH A DENSE FIELD OF PARTICLES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE particle dispersal; shock tube; reflected shock; debris cloud; experimental techniques AB A novel multiphase shock tube has recently been developed to study particle dynamics in gas-solid flows having particle volume fractions that reside between the dilute and granular regimes. The particle field is generated by a gravity-fed method that results in a spanwise curtain of 100-micron spherical particles producing a volume fraction of about 19 percent. Interactions with incident shock Mach numbers of 1.66, 1.92, and 2.02 are reported. High-speed schlieren imaging simultaneous with fast-response wall pressure measurements are used to reveal the complex wave structure associated with the interaction. After the impingement of the incident shock, transmitted and reflected shocks are observed, which lead to differences in particle drag forces across the streamwise dimension of the curtain. Shortly thereafter, the particle field begins to propagate downstream and disperse. The trajectories of the spread between the upstream and downstream edges of the particle field at different Mach numbers are shown to be similar when normalized by the velocity of the flow induced by the incident shock. C1 [Wagner, J. L.; Beresh, S. J.; Kearney, S. P.; Trott, W. M.; Castaneda, J. N.; Pruett, B. O.; Baer, M. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wagner, JL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 5 TC 0 Z9 0 U1 3 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686604 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300392 ER PT S AU White, BW Springer, HK Jordan, JL Spowart, JE Thadhani, NN AF White, Bradley W. Springer, H. Keo Jordan, Jennifer L. Spowart, Jonathan E. Thadhani, Naresh N. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI MESOSCALE SIMULATIONS OF PARTICLE REINFORCED EPOXY-BASED COMPOSITES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Particulate Composites; Shock; Mesoscale Simulations AB Polymer matrix composites reinforced with metal powders have complex microstructures that vary greatly from differences in particle size, morphology, loading fractions, etc. The effects of the underlying microstructure on the mechanical and wave propagation behavior of these composites during dynamic loading conditions are not well understood. To better understand these effects, epoxy (Epon826/DEA) reinforced with different particle sizes of Al and loading fractions of Al and Ni were prepared by casting. Microstructures from the composites were then used in 2D plane strain mesoscale simulations. The effect of varying velocity loading conditions on the wave velocity was then examined to determine the Us-Up and particle deformation response as a function of composite configuration. C1 [White, Bradley W.; Thadhani, Naresh N.] Georgia Tech, Sch Mat Sci & Engn, 771 Ferst Dr NW, Atlanta, GA 30332 USA. [Springer, H. Keo] Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94550 USA. [Jordan, Jennifer L.] AFRL RWME, Eglin AFB, FL 32542 USA. [Spowart, Jonathan E.] AFRL RXBC, Wright Patterson AFB, OH 45433 USA. RP White, BW (reprint author), Georgia Tech, Sch Mat Sci & Engn, 771 Ferst Dr NW, Atlanta, GA 30332 USA. FU U.S. Air Force Research Labs; Eglin AFB [F08630-03-C-0001] FX Funding was provided by the U.S. Air Force Research Labs, Eglin AFB under contract F08630-03-C-0001. NR 6 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686248 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300036 ER PT S AU Zhang, RF Wang, J Liu, XY Beyerlein, IJ Germann, TC AF Zhang, R. F. Wang, J. Liu, X. Y. Beyerlein, I. J. Germann, T. C. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS OF SHOCK WAVE PROPAGATION IN NANOLAYERED CU/NB NANOCOMPOSITES SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE Molecular dynamics; Cu/Nb; nanocomposite; dislocation; interface ID ATOMISTIC SIMULATIONS; COPPER; COMPRESSION; CRYSTALS; STRENGTH AB Employing nonequilibrium molecular dynamics simulations, we characterize the defect substructures induced in nanolayered Cu/Nb composites by shock compression, and their manifestation on macroscopic observables such as pressure, shear stress and temperature. We find that Cu lattice dislocations are initially nucleated at the Cu/Nb heterophase interface, and subsequently transmit into the neighboring Nb crystal. The nucleation of dislocations at interfaces may be partly attributed to the shear stress gradient across interfaces; although there is a good impedance match between Cu and Nb at the shock strengths we are considering, the interfaces introduce a periodic variation in the pressure and shear stress profiles, even during elastic loading. The resulting dislocation activity (nucleation and transmission) subsequently leads to local heating at those interfaces. These findings imply that by atomic design of interface structure and spacing, one might control the thermomechanical response of nanocomposites under extreme mechanical loadings. C1 [Zhang, R. F.; Wang, J.; Liu, X. Y.; Beyerlein, I. J.; Germann, T. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zhang, RF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Beyerlein, Irene/A-4676-2011; Wang, Jian/F-2669-2012; OI Wang, Jian/0000-0001-5130-300X; Germann, Timothy/0000-0002-6813-238X NR 19 TC 1 Z9 1 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686507 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300295 ER PT S AU Zucker, JM Tappan, BC Manner, VW Novak, AM AF Zucker, J. M. Tappan, B. C. Manner, V. W. Novak, A. M. BE Elert, ML Buttler, WT Borg, JP Jordan, JL Vogler, TJ TI COOKOFF OF NON-TRADITIONAL DETONATORS SO SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Biennial Conference of the American-Physical-Society-Topical-Group on Shock Compression of Condensed Matter CY JUN 26-JUL 01, 2011 CL Chicago, IL SP Amer Phys Soc (APS), Top Grp, Los Alamos Natl Lab, Lawrence Livermore Natl Lab, Sandia Natl Labs DE TATP; HMTD; Homemade Explosives; Cookoff; Detonators ID DECOMPOSITION; TATP; HMTD AB Significant work has gone into understanding the cookoff behavior of a variety of explosives, primarily for safety and surety reasons. However, current times require similar knowledge on a new suite of explosives that are readily attainable or made, and are easily initiated without expensive firesets or controlled materials. Homemade explosives (HMEs) are simple to synthesize from readily available precursor materials. Two of these HMEs, triacetone triperoxide (TATP) and hexamethylene triperoxide diamine (HMTD) are not only simple to prepare, but have sufficient output and sensitivity to act as primary explosives in an initiation train. Previous work has shown that detonators may be an integral vulnerability in a cookoff scenario. This poster contains the results of cookoff experiments performed on detonators made with TATP and HMTD. We found that the less chemically stable TATP decomposed during heating, while the more chemically stable HMTD acted like a traditional primary explosive, namely reaction violence and time-to-ignition were independent of confinement. C1 [Zucker, J. M.; Tappan, B. C.; Manner, V. W.; Novak, A. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zucker, JM (reprint author), Los Alamos Natl Lab, MS J564,POB 1663, Los Alamos, NM 87545 USA. NR 6 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1006-0 J9 AIP CONF PROC PY 2012 VL 1426 DI 10.1063/1.3686377 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BZS44 UT WOS:000302774300165 ER PT J AU Wei, XY Gu, WY Chen, W Shen, XB Liu, F Strzalka, JW Jiang, Z Russell, TP AF Wei, Xinyu Gu, Weiyin Chen, Wei Shen, Xiaobo Liu, Feng Strzalka, Joseph W. Jiang, Zhang Russell, Thomas P. TI Disorder-to-order transitions induced by alkyne/azide click chemistry in diblock copolymer thin films SO SOFT MATTER LA English DT Article ID BLOCK-COPOLYMERS; PHASE-BEHAVIOR; MICRODOMAIN ORIENTATION; TEMPERATURE-GRADIENT; POLYMER-FILMS; DEFECT-FREE; BLENDS; PATTERNS; ARRAYS; LITHOGRAPHY AB We investigated thin film morphologies of binary blends of alkyne-functionalized diblock copolymer poly(ethylene oxide)-block-poly(n-butyl methacrylate-random-propargyl methacrylate) (PEO-b-P(nBMA-r-PgMA)) and Rhodamine B azide, where the thermal alkyne/azide click reaction between the two components induced a disorder-to-order transition (DOT) of the copolymer. By controlling the composition of the neat copolymers and the mole ratio between the alkyneand azide groups, different microphase separated morphologies were achieved. At higher azide loading ratios, a perpendicular orientation of the microdomains was observed with wide accessible film thickness window. As less azide was incorporated, the microdomains have a stronger tendency to be parallel to the substrate, and the film thickness window for perpendicular orientation also became narrower. C1 [Wei, Xinyu; Gu, Weiyin; Shen, Xiaobo; Liu, Feng; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Chen, Wei] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Strzalka, Joseph W.; Jiang, Zhang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM russell@mail.pse.umass.edu RI Jiang, Zhang/A-3297-2012; Chen, Wei/G-6055-2011; Liu, Feng/J-4361-2014 OI Jiang, Zhang/0000-0003-3503-8909; Chen, Wei/0000-0001-8906-4278; Liu, Feng/0000-0002-5572-8512 FU Department of Energy Office of Basic Energy Science [DE-FG02-96ER45612, DE-FG02-04ER46126]; NSF-supported Materials Research Science and Engineering Center at UMass; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by the Department of Energy Office of Basic Energy Science under contract no. DE-FG02-96ER45612 and DE-FG02-04ER46126 and the NSF-supported Materials Research Science and Engineering Center at UMass. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Use of the Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 70 TC 1 Z9 1 U1 3 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2012 VL 8 IS 19 BP 5273 EP 5282 DI 10.1039/c2sm07329c PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 931ID UT WOS:000303208700021 ER PT J AU Zhu, ZH Shutthanandan, V AF Zhu, Zihua Shutthanandan, Vaithiyalingam TI Are cluster ion analysis beams good choices for hydrogen depth profiling using time-of-flight secondary ion mass spectrometry? SO SURFACE AND INTERFACE ANALYSIS LA English DT Article DE ToF-SIMS; hydrogen depth profiling; cluster primary ion; atomic primary ion ID SPUTTERING YIELDS; ORGANIC MATERIALS; GA BOMBARDMENT; SIMS; ENHANCEMENT; ENERGY; GLASS; C-60; DEPENDENCE; AG(111) AB For more than three decades, time-of-flight secondary ion mass spectrometry (ToF-SIMS) has been used for elemental depth profiling. In recent years, cluster primary ion sources (principally, C-60(+), Bi-n(+), and Au-n(+)) have become widely available, and they can greatly enhance the signal intensity of molecular ions (10-1000 times). Understanding the performance of cluster ion analysis beams used in elemental depth profiling can greatly assist normal ToF-SIMS users in choosing the optimal analysis beam for depth profiling work. Presently, however, the experimental data are lacking, and such choices are difficult to make. In this paper, hydrogen and deuterium depth profiling were studied using six different analysis beams -25 keV Bi+, Bi-3(+), Bi-5(+), 50 keV Bi-3(2+), 10 keV C-60(+), and 20 keV C-60(2+). The effort shows that cluster primary ions do enhance H- and D- yields, but the enhancement is only about 1.5-4.0 times when compared to atomic Bi+ ions. Because the currents of atomic ion analysis beams are much stronger than the currents of cluster ion analysis beams for most commercial ToF-SIMS instruments, the atomic ion analysis beams can provide the strongest H- and D- signal intensities, and may be the best choices for hydrogen and deuterium depth profiling. In addition, two representative nuclides, Si-30 and O-18, were also studied and yielded results similar to those of H- and D-. Copyright (c) 2011 John Wiley & Sons, Ltd. C1 [Zhu, Zihua; Shutthanandan, Vaithiyalingam] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhu, ZH (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM zihua.zhu@pnl.gov RI Zhu, Zihua/K-7652-2012 FU US Department of Energy [DE-AC05-76RL01830] FX The research 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 located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US Department of Energy under Contract No. DE-AC05-76RL01830. NR 29 TC 7 Z9 7 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0142-2421 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD JAN PY 2012 VL 44 IS 1 BP 89 EP 93 DI 10.1002/sia.3776 PG 5 WC Chemistry, Physical SC Chemistry GA 931UQ UT WOS:000303245200013 ER PT J AU Wilkening, DA AF Wilkening, Dean A. TI Does Missile Defence in Europe Threaten Russia? SO SURVIVAL LA English DT Article C1 [Wilkening, Dean A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Wilkening, Dean A.] Stanford Univ, Ctr Int Secur & Cooperat, Stanford, CA 94305 USA. RP Wilkening, DA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 5 TC 5 Z9 5 U1 0 U2 2 PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND SN 0039-6338 J9 SURVIVAL JI Survival PY 2012 VL 54 IS 1 BP 31 EP 51 DI 10.1080/00396338.2012.657531 PG 21 WC International Relations; Political Science SC International Relations; Government & Law GA 922QL UT WOS:000302562800002 ER PT S AU Boye, RR Peters, DW Wendt, JR Samora, S Stevens, J Shul, RJ Hunker, J Kellogg, RA Kemme, SA AF Boye, R. R. Peters, D. W. Wendt, J. R. Samora, S. Stevens, J. Shul, R. J. Hunker, J. Kellogg, R. A. Kemme, S. A. BE Schoenfeld, WV Rumpf, RC VonFreymann, G TI High precision fabrication of polarization insensitive resonant grating filters SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics V CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Dyoptyka, VUZIX Corp DE Subwavelength; diffractive optical element; resonant grating; guided mode resonance filter ID COUPLED-WAVE ANALYSIS; IMPLEMENTATION AB Resonant subwavelength gratings have been designed and fabricated as wavelength-specific reflectors for application as a rotary position encoder utilizing ebeam based photolithography. The first grating design used a two-dimensional layout to provide polarization insensitivity with separate layers for the grating and waveguide. The resulting devices had excellent pattern fidelity and the resonance peaks and widths closely matched the expected results. Unfortunately, the gratings were particularly angle sensitive and etch depth errors led to shifts in the center wavelength of the resonances. A second design iteration resulted in a double grating period to reduce the angle sensitivity as well as different materials and geometry; the grating and waveguide being the same layer. The inclusion of etch stop layers provided more accurate etch depths; however, the tolerance to changes in the grating duty cycle was much tighter. Results from these devices show the effects of small errors in the pattern fidelity. The fabrication process flows for both iterations of devices will be reviewed as well as the performance of the fabricated devices. A discussion of the relative merits of the various design choices provides insight into the importance of fabrication considerations during the design stage. C1 [Boye, R. R.; Peters, D. W.; Wendt, J. R.; Samora, S.; Stevens, J.; Shul, R. J.; Hunker, J.; Kellogg, R. A.; Kemme, S. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Boye, RR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 13 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8892-3 J9 PROC SPIE PY 2012 VL 8249 AR 82490C DI 10.1117/12.912169 PG 10 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BZR80 UT WOS:000302640700005 ER PT S AU Burckel, DB AF Burckel, D. Bruce BE Schoenfeld, WV Rumpf, RC VonFreymann, G TI Magnetostatic Response of 3D Metallic Traces Created Using Dynamic Membrane Projection Lithography SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics V CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Dyoptyka, VUZIX Corp DE Metamaterials; nanophotonics; 3D fabrication ID FABRICATION AB The magnetostatic response of a variety of 3D metallic loop traces are studied numerically by evaluating the Biot-Savart law as a first step in understanding the radiative behavior of such structures. These numerical studies confirm that the magnetostatic behavior of localized planar and non-planar current distributions are equivalent to magnetic dipoles in the far field, however the near-field behavior of these traces can be quite different. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 14 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8892-3 J9 PROC SPIE PY 2012 VL 8249 AR 824914 DI 10.1117/12.909393 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BZR80 UT WOS:000302640700025 ER PT S AU Kemme, SA Brady, GR Ellis, AR Wendt, JR Peters, DW Biedermann, GW Carter, TR Samora, S Isaacs, JA Ivanov, VV Saffman, M AF Kemme, S. A. Brady, G. R. Ellis, A. R. Wendt, J. R. Peters, D. W. Biedermann, G. W. Carter, T. R. Samora, S. Isaacs, J. A. Ivanov, V. V. Saffman, M. BE Schoenfeld, WV Rumpf, RC VonFreymann, G TI Ultra-Fast Diffractive Optical Micro-Trap Arrays for Neutral Atom Quantum Computing SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics V CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Dyoptyka, VUZIX Corp DE diffractive optics; diffractive lenses; fast lenses; low F/#; quantum computing; neutral atoms; optical traps; micro optics fabrication; tweezer traps AB We design and fabricate arrays of diffractive optical elements (DOEs) to realize neutral atom micro-traps for quantum computing. We initialize a single atom at each site of an array of optical tweezer traps for a customized spatial configuration. Each optical trapping volume is tailored to ensure only one or zero trapped atoms. Specifically designed DOEs can define an arbitrary optical trap array for initialization and improve collection efficiency in readout by introducing high-numerical aperture, low-profile optical elements into the vacuum environment. We will discuss design and fabrication details of ultra-fast collection DOEs integrated monolithically and coaxially with tailored DOEs that establish an optical array of micro-traps through far-field propagation. DOEs, as mode converters, modify the lateral field at the front focal plane of an optical assembly and transform it to the desired field pattern at the back focal plane of the optical assembly. We manipulate the light employing coherent or incoherent addition with judicious placement of phase and amplitude at the lens plane. This is realized through a series of patterning, etching, and depositing material on the lens substrate. The trap diameter, when this far-field propagation approach is employed, goes as 2.44 lambda F/#, where the F/# is the focal length divided by the diameter of the lens aperture. The 8-level collection lens elements in this presentation are, to our knowledge, the fastest diffractive elements realized; ranging from F/1 down to F/0.025. C1 [Kemme, S. A.; Brady, G. R.; Ellis, A. R.; Wendt, J. R.; Peters, D. W.; Biedermann, G. W.; Carter, T. R.; Samora, S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kemme, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Saffman, Mark/A-8120-2009 OI Saffman, Mark/0000-0001-6398-2097 NR 7 TC 1 Z9 1 U1 1 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8892-3 J9 PROC SPIE PY 2012 VL 8249 AR 82490E DI 10.1117/12.910829 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BZR80 UT WOS:000302640700007 ER PT S AU Lo, JC Horsley, DA Skinner, JL AF Lo, Joanne C. Horsley, David A. Skinner, Jack L. BE Schoenfeld, WV Rumpf, RC VonFreymann, G TI Fabrication of Large Arrays of Plasmonic Nanostructures via Double Casting SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics V CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Dyoptyka, VUZIX Corp DE Nanofabrication; Plasmonics; Nanophotonics; Double casting; h-PDMS; Composite stamp ID SOFT LITHOGRAPHY AB Large arrays of periodic nanostructures are widely used for plasmonic applications, including ultrasensitive particle sensing, optical nanoantennas, and optical computing; however, current fabrication processes (e. g., e-beam lithography and nanoimprint lithography) remain time consuming and expensive. Previously, researchers have utilized double casting methods to effectively fabricate large-scale arrays of microscale features. Despite significant progress, employing such techniques at the nanoscale has remained a challenge due to cracking and incomplete transfer of the nanofeatures. To overcome these issues, here we present a double casting methodology for fabricating large-scale arrays of nanostructures. We demonstrate this technique by creating large (0.5 cm x 1 cm) arrays of 150 nm nanoholes and 150 nm nanopillars from one silicon master template with nanopillars. To preclude cracking and incomplete transfer problems, a hard-PDMS/soft-PDMS (h-PDMS/s-PDMS) composite stamp was used to replicate the features from: (i) the silicon template, and (ii) the resulting PDMS template. Our double casting technique can be employed repeatedly to create positive and negative copies of the original silicon template as desired. By drastically reducing the cost, time, and labor associated with creating separate silicon templates for large arrays of different nanostructures, this methodology will enable rapid prototyping for diverse applications in nanotechnological fields. C1 [Lo, Joanne C.; Skinner, Jack L.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Lo, JC (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. RI Horsley, David/K-7243-2013 NR 22 TC 0 Z9 0 U1 1 U2 15 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8892-3 J9 PROC SPIE PY 2012 VL 8249 AR 824915 DI 10.1117/12.909943 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BZR80 UT WOS:000302640700026 ER PT S AU Subramania, G Li, Q Lee, YJ Figiel, JJ Sanchez, CA Wang, GT Fischer, AJ Biswas, R AF Subramania, G. Li, Q. Lee, Y-J. Figiel, J. J. Sanchez, C. A. Wang, G. T. Fischer, A. J. Biswas, R. BE Schoenfeld, WV Rumpf, RC VonFreymann, G TI Gallium Nitride based logpile photonic crystals for visible lighting SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics V CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Dyoptyka, VUZIX Corp DE Three dimensional photonic crystals; gallium nitride; logpile; lithography ID SINGLE QUANTUM-DOT; EMISSION AB Photonic crystals (PC) can fundamentally alter the emission behavior of light sources by suitably modifying the electromagnetic environment around them. Strong modulation of the photonic density of states especially by full three-dimensional (3D) bandgap PCs, enables one to completely suppress emission in undesired wavelengths and directions while enhancing desired emission. This property of 3DPC to control spontaneous emission, opens up new regimes of light-matter interaction in particular, energy efficient and high brightness visible lighting. Therefore a 3DPC composed entirely of gallinum nitride (GaN), a key material used in visible light emitting diodes can dramatically impact solid state lighting. The following work demonstrates an all GaN logpile 3DPC with bandgap in the visible fabricated by a template directed epitaxial growth. C1 [Subramania, G.; Li, Q.; Figiel, J. J.; Sanchez, C. A.; Wang, G. T.; Fischer, A. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Subramania, G (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 22 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8892-3 J9 PROC SPIE PY 2012 VL 8249 AR 82490V DI 10.1117/12.915778 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BZR80 UT WOS:000302640700021 ER PT S AU Fujioka, Y Frantti, J Vogel, SC Zhang, JZ Lin, ZJ Reiche, H Losko, A Daemen, LL AF Fujioka, Yukari Frantti, Johannes Vogel, Sven C. Zhang, Jianzhong Lin, Zhijun Reiche, Helmut Losko, Adrian Daemen, Luke L. BE Ruck, BJ Kemmitt, T TI Neutron powder diffraction study of the effect of Mn-doping on SrTiO3 SO ADVANCED MATERIALS AND NANOTECHNOLOGY SE Materials Science Forum LA English DT Proceedings Paper CT 5th Biennial Conference on Advanced Materials and Nanotechnology (AMN-5) CY FEB 07-11, 2011 CL Wellington, NEW ZEALAND SP Univ Canterbury, Victoria Univ Wellington, Ind Res Ltd, IZON, AJ Park, Bluefern, Royal Soc New Zealand, Embassy US, Nanoscale, Int Year Chem, New Zealand Inst Chem, Polym Elect Res Inst, New Zealand Inst Phys DE Strontium titanate; Manganese; Neutron powder diffraction; Orthorhombic; Perovskite; Solubility ID DIFFRACTOMETER; HIPPO AB The effect of manganese doping on the magnetic and structural properties of strontium titanate (SrTiO3) was studied. Neutron powder diffraction, x-ray diffraction, magnetic measurements, scanning electron microscopy and energy dispersive spectroscopy of x-rays were utilized. Air-sintered Sr(MnxTi1-x)O-3 (SMT) with x = 0.02 and x = 0.05 were homogeneous single phase orthorhombic (space group Pbnm) perovskite samples. The symmetry was orthorhombic already at room temperature, and no symmetry change was observed down to 11 K. An anomaly in the magnetic susceptibility was observed in x = 0.02 sample at 75 K. In contrast to earlier reports, no ferromagnetism was observed. C1 [Fujioka, Yukari; Frantti, Johannes] Aalto Univ, Sch Sci & Technol, Dept Appl Phys, FI-00076 Aalto, Finland. [Vogel, Sven C.; Zhang, Jianzhong; Lin, Zhijun; Reiche, Helmut; Losko, Adrian; Daemen, Luke L.] Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Fujioka, Y (reprint author), Aalto Univ, Sch Sci & Technol, Dept Appl Phys, FI-00076 Aalto, Finland. EM yukari.fujioka@hut.fi RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 10 TC 1 Z9 1 U1 1 U2 7 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2012 VL 700 BP 28 EP + DI 10.4028/www.scientific.net/MSF.700.28 PG 3 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BZS13 UT WOS:000302673700007 ER PT J AU Balatsky, AV Nishijima, M Manassen, Y AF Balatsky, Alexander V. Nishijima, Mitsuaki Manassen, Yishay TI Electron spin resonance-scanning tunneling microscopy SO ADVANCES IN PHYSICS LA English DT Review DE scanning tunneling microscopy; electron spin resonance; spin precession; noise; spectroscopy; single spin detection; rf signal ID INDIVIDUAL PARAMAGNETIC SPINS; MAGNETIC-RESONANCE; FORCE MICROSCOPY; SINGLE-MOLECULE; PRECESSING SPIN; NOISE; STM; SILICON; SPECTROSCOPY; CONDUCTORS AB Electron spin resonance-scanning tunneling microscopy (ESR-STM) is a rapidly developing surface-science technique that is sensitive to a single spin existing on or nearby a solid surface. The single spin is detected through elevated noise at the Larmor frequency that appears when the single spin participates in the tunneling process between the tip and the surface. In this review, experimental and theoretical works which have been performed up to date on ESR-STM are reviewed. The remaining experimental problems which have to be solved, possible approaches to differentiate between different mechanisms and the future of ESR-STM are discussed. C1 [Balatsky, Alexander V.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Santa Fe, NM 87501 USA. [Balatsky, Alexander V.] Los Alamos Natl Lab, Div Theory, Santa Fe, NM 87501 USA. [Nishijima, Mitsuaki] Kyoto Univ, Sakyo Ku, Kyoto 6068501, Japan. [Manassen, Yishay] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. [Manassen, Yishay] Ben Gurion Univ Negev, Ilse Katz Ctr Sci & Technol Nanoscale, IL-84105 Beer Sheva, Israel. RP Balatsky, AV (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS B 262, Santa Fe, NM 87501 USA. EM avb@lanl.gov FU Los Alamos National Security, LLC [DE-AC52-06NA25396]; USA-Israel Binational Science Foundation (BSF); Israeli Ministry of Science and the Wolfson Foundation; Israeli Ministry of Science FX We are grateful to L. Bulaevskii, M. Crommie, S. Crooker, J.C. Davis, J. Fransson, D. Eigler, A. Heinrich, W. Ho, H. Manoharan, I. Martin, D. Mozyrsky, R. Moerner, K. Schwab, D. Smith, B. Spivak, Z. Nussinov, R. Wiesendanger, A. Yazdani, J.X. Zhu, Y. Imry, O. Entin-Wohlman, B Horovitz, T. Komeda, H. Ohya-Nishiguchi, A. Yoshimori, C. Ascoli, A. Caneschi, D. Gatteschi, P. Messina, M. Fabrizioli and P. Pittana for useful discussions over the years. The work presented in Figure 13 is part of the PhD work of M. Averbukh [27]. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences, user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. This work was supported by the USA-Israel Binational Science Foundation (BSF). Additional support from the Israeli Ministry of Science and the Wolfson Foundation and from the Israeli Ministry of Science is acknowledged. NR 60 TC 13 Z9 13 U1 11 U2 58 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0001-8732 EI 1460-6976 J9 ADV PHYS JI Adv. Phys. PY 2012 VL 61 IS 2 BP 117 EP 152 DI 10.1080/00018732.2012.668775 PG 36 WC Physics, Condensed Matter SC Physics GA 925DX UT WOS:000302742100001 ER PT J AU Wunschel, DS Melville, AM Ehrhardt, CJ Colburn, HA Victry, KD Antolick, KC Wahl, JH Wahl, KL AF Wunschel, David S. Melville, Angela M. Ehrhardt, Christopher J. Colburn, Heather A. Victry, Kristin D. Antolick, Kathryn C. Wahl, Jon H. Wahl, Karen L. TI Integration of gas chromatography mass spectrometry methods for differentiating ricin preparation methods SO ANALYST LA English DT Article ID PROFILES; MARKER AB The investigation of crimes involving chemical or biological agents is infrequent, but presents unique analytical challenges. The protein toxin ricin is encountered more frequently than other agents and is found in the seeds of Ricinus communis, commonly known as the castor plant. Typically, the toxin is extracted from castor seeds utilizing a variety of different recipes that result in varying purity of the toxin. Moreover, these various purification steps can also leave or differentially remove a variety of exogenous and endogenous residual components with the toxin that may indicate the type and number of purification steps involved. We have applied three gas chromatography - mass spectrometry (GCMS) based analytical methods to measure the variation in seed carbohydrates and castor oil ricinoleic acid, as well as the presence of solvents used for purification. These methods were applied to the same samples prepared using four previously identified toxin preparation methods, starting from four varieties of castor seeds. The individual data sets for seed carbohydrate profiles, ricinoleic acid, or acetone amount each provided information capable of differentiating different types of toxin preparations across seed types. However, the integration of the data sets using multivariate factor analysis provided a clear distinction of all samples based on the preparation method, independent of the seed source. In particular, the abundance of mannose, arabinose, fucose, ricinoleic acid, and acetone were shown to be important differentiating factors. These complementary tools provide a more confident determination of the method of toxin preparation than would be possible using a single analytical method. C1 [Wunschel, David S.; Melville, Angela M.; Ehrhardt, Christopher J.; Colburn, Heather A.; Victry, Kristin D.; Antolick, Kathryn C.; Wahl, Jon H.; Wahl, Karen L.] Pacific NW Natl Lab, Natl Secur Directorate, Richland, WA 99352 USA. RP Wunschel, DS (reprint author), Pacific NW Natl Lab, Natl Secur Directorate, POB 999,MSIN P7-50, Richland, WA 99352 USA. EM David.Wunschel@pnnl.gov OI Ehrhardt, Christopher/0000-0002-4909-0532 FU Department of Homeland Security, Science and Technology Directorate [AGRHSHQDC07X00207, AGRHSHQDC08X00571/B1] FX Funding for this research was provided through contracts AGRHSHQDC07X00207 and AGRHSHQDC08X00571/B1 to Pacific Northwest National Laboratory by the Department of Homeland Security, Science and Technology Directorate. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy under contract DE-AC06-76RLO. NR 30 TC 5 Z9 5 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2012 VL 137 IS 9 BP 2077 EP 2085 DI 10.1039/c2an16186a PG 9 WC Chemistry, Analytical SC Chemistry GA 919FR UT WOS:000302308600017 PM 22416271 ER PT S AU Volkow, ND Wang, GJ Fowler, JS Tomasi, D AF Volkow, Nora D. Wang, Gene-Jack Fowler, Joanna S. Tomasi, Dardo BE Insel, PA Amara, SG Blaschke, TF TI Addiction Circuitry in the Human Brain SO ANNUAL REVIEW OF PHARMACOLOGY AND TOXICOLOGY, VOL 52 SE Annual Review of Pharmacology and Toxicology LA English DT Review; Book Chapter DE conditioning; executive function; accumbens; dorsal striatum; orbitofrontal cortex; cingulate gyrus ID SYNAPTIC DOPAMINE CONCENTRATIONS; SELF-ADMINISTER COCAINE; ORBITOFRONTAL CORTEX; NUCLEUS-ACCUMBENS; RHESUS-MONKEYS; BASAL GANGLIA; RECEPTOR AVAILABILITY; LIMBIC ACTIVATION; NEURAL MECHANISMS; LATERAL HABENULA AB A major challenge in understanding substance-use disorders lies in uncovering why some individuals become addicted when exposed to drugs, whereas others do not. Although genetic, developmental, and environmental factors are recognized as major contributors to a person's risk of becoming addicted, the neurobiological processes that underlie this vulnerability are still poorly understood. Imaging studies suggest that individual variations in key dopamine-modulated brain circuits, including circuits involved in reward, memory, executive function, and motivation, contribute to some of the differences in addiction vulnerability. A better understanding of the main circuits affected by chronic drug use and the influence of social stressors, developmental trajectories, and genetic background on these circuits is bound to lead to a better understanding of addiction and to more effective strategies for the prevention and treatment of substance-use disorders. C1 [Volkow, Nora D.] NIDA, NIH, Bethesda, MD 20892 USA. [Volkow, Nora D.; Tomasi, Dardo] NIAAA, NIH, Bethesda, MD 20892 USA. [Wang, Gene-Jack; Fowler, Joanna S.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Volkow, ND (reprint author), NIDA, NIH, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov RI Tomasi, Dardo/J-2127-2015 FU Intramural NIH HHS [ZIA AA000550-08] NR 90 TC 159 Z9 166 U1 8 U2 66 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0362-1642 BN 978-0-8243-0452-2 J9 ANNU REV PHARMACOL JI Annu. Rev. Pharmacol. Toxicol. PY 2012 VL 52 BP 321 EP 336 DI 10.1146/annurev-pharmtox-010611-134625 PG 16 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA BZK49 UT WOS:000301839600016 PM 21961707 ER PT J AU Leibensperger, EM Mickley, LJ Jacob, DJ Chen, WT Seinfeld, JH Nenes, A Adams, PJ Streets, DG Kumar, N Rind, D AF Leibensperger, E. M. Mickley, L. J. Jacob, D. J. Chen, W. -T. Seinfeld, J. H. Nenes, A. Adams, P. J. Streets, D. G. Kumar, N. Rind, D. TI Climatic effects of 1950-2050 changes in US anthropogenic aerosols - Part 1: Aerosol trends and radiative forcing SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID TRANSBOUNDARY POLLUTION INFLUENCES; STRATIFORM CLOUD MICROPHYSICS; EASTERN UNITED-STATES; ART. NO. 4407; BLACK-CARBON; ORGANIC AEROSOL; TROPOSPHERIC OZONE; MODEL DESCRIPTION; DROPLET FORMATION; SULFUR CYCLE AB We calculate decadal aerosol direct and indirect (warm cloud) radiative forcings from US anthropogenic sources over the 1950-2050 period. Past and future aerosol distributions are constructed using GEOS-Chem and historical emission inventories and future projections from the IPCC A1B scenario. Aerosol simulations are evaluated with observed spatial distributions and 1980-2010 trends of aerosol concentrations and wet deposition in the contiguous US. Direct and indirect radiative forcing is calculated using the GISS general circulation model and monthly mean aerosol distributions from GEOS-Chem. The radiative forcing from US anthropogenic aerosols is strongly localized over the eastern US. We find that its magnitude peaked in 1970-1990, with values over the eastern US (east of 100A degrees W) of -2.0 W m(-2) for direct forcing including contributions from sulfate (-2.0 W m(-2)), nitrate (-0.2 W m(-2)), organic carbon (-0.2 W m(-2)), and black carbon (+0.4 W m(-2)). The uncertainties in radiative forcing due to aerosol radiative properties are estimated to be about 50%. The aerosol indirect effect is estimated to be of comparable magnitude to the direct forcing. We find that the magnitude of the forcing declined sharply from 1990 to 2010 (by 0.8 W m(-2) direct and 1.0 W m(-2) indirect), mainly reflecting decreases in SO2 emissions, and project that it will continue declining post-2010 but at a much slower rate since US SO2 emissions have already declined by almost 60% from their peak. This suggests that much of the warming effect of reducing US anthropogenic aerosol sources has already been realized. The small positive radiative forcing from US BC emissions (+0.3 W m(-2) over the eastern US in 2010; 5% of the global forcing from anthropogenic BC emissions worldwide) suggests that a US emission control strategy focused on BC would have only limited climate benefit. C1 [Chen, W. -T.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Seinfeld, J. H.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Nenes, A.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Nenes, A.] Georgia Inst Technol, Sch Chem & Biol Engn, Atlanta, GA 30332 USA. [Adams, P. J.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Adams, P. J.] Carnegie Mellon Univ, Dept Engn & Publ Policy, Pittsburgh, PA 15213 USA. [Streets, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kumar, N.] Elect Power Res Inst, Palo Alto, CA USA. [Rind, D.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Leibensperger, E. M.; Mickley, L. J.; Jacob, D. J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Leibensperger, EM (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. EM eleibens@mit.edu RI Adams, Peter/D-7134-2013; Chem, GEOS/C-5595-2014; Chen, Wei-Ting/A-4476-2012; OI Adams, Peter/0000-0003-0041-058X; Chen, Wei-Ting/0000-0002-9292-0933; Streets, David/0000-0002-0223-1350 FU Electric Power Research Institute (EPRI); EPA Science to Achieve Results (STAR) FX This work was supported by the Electric Power Research Institute (EPRI) and an EPA Science to Achieve Results (STAR) Graduate Research Fellowship to Eric Leibensperger. The EPRI and EPA have not officially endorsed this publication and the views expressed herein may not reflect those of the EPRI and EPA. This work utilized resources and technical support offered by the Harvard University School of Engineering and Applied Science Instructional and Research Computing Services. We would like to thank Jack Yatteau for computational assistance. We thank the editor and two anonymous reviewers whose comments helped improve this work. NR 103 TC 56 Z9 57 U1 5 U2 64 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2012 VL 12 IS 7 BP 3333 EP 3348 DI 10.5194/acp-12-3333-2012 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 926BQ UT WOS:000302806700013 ER PT J AU Leibensperger, EM Mickley, LJ Jacob, DJ Chen, WT Seinfeld, JH Nenes, A Adams, PJ Streets, DG Kumar, N Rind, D AF Leibensperger, E. M. Mickley, L. J. Jacob, D. J. Chen, W. -T. Seinfeld, J. H. Nenes, A. Adams, P. J. Streets, D. G. Kumar, N. Rind, D. TI Climatic effects of 1950-2050 changes in US anthropogenic aerosols - Part 2: Climate response SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID TRANSBOUNDARY POLLUTION INFLUENCES; GENERAL-CIRCULATION MODEL; CLOUD DROPLET FORMATION; NORTH-ATLANTIC CLIMATE; CENTRAL UNITED-STATES; ART. NO. 4407; SURFACE-TEMPERATURE; AIR-QUALITY; GODDARD INSTITUTE; GREENHOUSE GASES AB We investigate the climate response to changing US anthropogenic aerosol sources over the 1950-2050 period by using the NASA GISS general circulation model (GCM) and comparing to observed US temperature trends. Time-dependent aerosol distributions are generated from the GEOS-Chem chemical transport model applied to historical emission inventories and future projections. Radiative forcing from US anthropogenic aerosols peaked in 1970-1990 and has strongly declined since due to air quality regulations. We find that the regional radiative forcing from US anthropogenic aerosols elicits a strong regional climate response, cooling the central and eastern US by 0.5-1.0 A degrees C on average during 1970-1990, with the strongest effects on maximum daytime temperatures in summer and autumn. Aerosol cooling reflects comparable contributions from direct and indirect (cloud-mediated) radiative effects. Absorbing aerosol (mainly black carbon) has negligible warming effect. Aerosol cooling reduces surface evaporation and thus decreases precipitation along the US east coast, but also increases the southerly flow of moisture from the Gulf of Mexico resulting in increased cloud cover and precipitation in the central US. Observations over the eastern US show a lack of warming in 1960-1980 followed by very rapid warming since, which we reproduce in the GCM and attribute to trends in US anthropogenic aerosol sources. Present US aerosol concentrations are sufficiently low that future air quality improvements are projected to cause little further warming in the US (0.1 A degrees C over 2010-2050). We find that most of the warming from aerosol source controls in the US has already been realized over the 1980-2010 period. C1 [Leibensperger, E. M.; Mickley, L. J.; Jacob, D. J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Chen, W. -T.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Seinfeld, J. H.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Nenes, A.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Nenes, A.] Georgia Inst Technol, Sch Chem & Biol Engn, Atlanta, GA 30332 USA. [Adams, P. J.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Adams, P. J.] Carnegie Mellon Univ, Dept Engn & Publ Policy, Pittsburgh, PA 15213 USA. [Streets, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kumar, N.] Elect Power Res Inst, Palo Alto, CA USA. [Rind, D.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. RP Leibensperger, EM (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. EM eleibens@mit.edu RI Chem, GEOS/C-5595-2014; Adams, Peter/D-7134-2013; Chen, Wei-Ting/A-4476-2012; OI Adams, Peter/0000-0003-0041-058X; Chen, Wei-Ting/0000-0002-9292-0933; Streets, David/0000-0002-0223-1350 FU Electric Power Research Institute (EPRI); EPA Science to Achieve Results (STAR) FX This work was funded by the Electric Power Research Institute (EPRI) and by an EPA Science to Achieve Results (STAR) Graduate Research Fellowship to Eric Leibensperger. The EPRI and EPA have not officially endorsed this publication and the views expressed herein may not reflect those of the EPRI and EPA. This work utilized resources and technical support offered by the Harvard University School of Engineering and Applied Science (SEAS) Instructional and Research Computing Services (IRCS). We would like to thank Jeff Jonas and Mark Chandler of NASA GISS for help with ocean heat flux calculations and Jack Yatteau for computational assistance. We also thank three anonymous referees. NR 100 TC 51 Z9 51 U1 2 U2 37 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2012 VL 12 IS 7 BP 3349 EP 3362 DI 10.5194/acp-12-3349-2012 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 926BQ UT WOS:000302806700014 ER PT J AU Kuang, C Chen, M Zhao, J Smith, J McMurry, PH Wang, J AF Kuang, C. Chen, M. Zhao, J. Smith, J. McMurry, P. H. Wang, J. TI Size and time-resolved growth rate measurements of 1 to 5 nm freshly formed atmospheric nuclei SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID IONIZATION MASS-SPECTROMETRY; PARTICLE FORMATION RATES; CHEMICAL-IONIZATION; AEROSOL FORMATION; CONDENSATION NUCLEI; BOREAL FOREST; SULFURIC-ACID; ULTRAFINE PARTICLES; NUCLEATION EVENTS; LONG-TERM AB This study presents measurements of size and time-resolved particle diameter growth rates for freshly nucleated particles down to 1 nm geometric diameter. Novel data analysis methods were developed, de-coupling for the first time the size and time-dependence of particle growth rates by fitting the aerosol general dynamic equation to size distributions obtained at an instant in time. Size distributions of freshly nucleated total aerosol (neutral and charged) were measured during two intensive measurement campaigns in different environments (Atlanta, GA and Boulder, CO) using a recently developed electrical mobility spectrometer with a diethylene glycol-based ultrafine condensation particle counter as the particle detector. One new particle formation (NPF) event from each campaign was analyzed in detail. At a given instant in time during the NPF event, size-resolved growth rates were obtained directly from measured size distributions and were found to increase approximately linearly with particle size from similar to 1 to 3 nm geometric diameter, increasing from 5.5 +/- 0.8 to 7.6 +/- 0.6 nm h(-1) in Atlanta (13:00) and from 5.6 +/- 2 to 27 +/- 5 nm h(-1) in Boulder (13:00). The resulting growth rate enhancement Gamma, defined as the ratio of the observed growth rate to the growth rate due to the condensation of sulfuric acid only, was found to increase approximately linearly with size from similar to 1 to 3 nm geometric diameter. For the presented NPF events, values for Gamma had lower limits that approached similar to 1 at 1.2 nm geometric diameter in Atlanta and similar to 3 at 0.8 nm geometric diameter in Boulder, and had upper limits that reached 8.3 at 4.1 nm geometric diameter in Atlanta and 25 at 2.7 nm geometric diameter in Boulder. Nucleated particle survival probability calculations comparing the effects of constant and size-dependent growth indicate that neglecting the strong dependence of growth rate on size from 1 to 3 nm observed in this study could lead to a significant overestimation of CCN survival probability. C1 [Kuang, C.; Wang, J.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Chen, M.; McMurry, P. H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Zhao, J.; Smith, J.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 815E, Upton, NY 11973 USA. EM jian@bnl.gov RI Kuang, Chongai/E-4446-2013; Wang, Jian/G-9344-2011; Smith, James/C-5614-2008; Zhao, Jun/C-8565-2009; McMurry, Peter/A-8245-2008 OI Smith, James/0000-0003-4677-8224; Zhao, Jun/0000-0002-3340-4816; McMurry, Peter/0000-0003-1609-5131 FU US Department of Energy (Office of Science, OBER) [DE-AC02-98CH10886]; NSF [AGS 1068201]; Guggenheim Fellowship; US DOE [DE-SC0006861] FX This work was supported by the US Department of Energy's Atmospheric System Research Program (Office of Science, OBER) under contract DE-AC02-98CH10886, US DOE Grant Number DE-SC0006861, and NSF Award Number AGS 1068201. PHM was supported by a Guggenheim Fellowship. The National Center for Atmospheric Research is sponsored by the National Science Foundation. NR 72 TC 55 Z9 55 U1 3 U2 41 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2012 VL 12 IS 7 BP 3573 EP 3589 DI 10.5194/acp-12-3573-2012 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 926BQ UT WOS:000302806700026 ER PT B AU Glass, EM Meyer, F AF Glass, Elizabeth M. Meyer, Folker BE RodriguezEzpeleta, N Hackenberg, M Aransay, AM TI Analysis of Metagenomics Data SO BIOINFORMATICS FOR HIGH THROUGHPUT SEQUENCING LA English DT Article; Book Chapter ID RESOURCE; ANNOTATION; GENOME; GENES; PYROPHOSPHATE; PROJECT; BLAST; ARB AB Improved sampling of diverse environments and advances in the development and application of next-generation sequencing technologies are accelerating the rate at which new metagenomes are produced. Over the past few years, the major challenge associated with metagenomics has shifted from generating to analyzing sequences. Metagenomic analysis includes the identification, and functional and evolutionary analysis of the genomic sequences of a community of organisms. There are many challenges involved in the analysis of these data sets including sparse meta-data, a high volume of sequence data, genomic heterogeneity, and incomplete sequences. Because of the nature of metagenomic data, analysis is very complex and requires new approaches and significant compute resources. Recently, several computational systems and tools have been developed and applied to analyze their functional and phylogenetic composition. The metagenomics RAST server (MG-RAST) is a high-throughput system that has been built to provide high-performance computing to researchers interested in analyzing metagenomic data. It has removed one of the primary bottlenecks in metagenome sequence analysis, the availability of high-performance computing for annotating data. C1 [Glass, Elizabeth M.; Meyer, Folker] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Glass, Elizabeth M.; Meyer, Folker] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Meyer, Folker] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA. RP Meyer, F (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM folker@anl.gov NR 29 TC 2 Z9 2 U1 1 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4614-0781-2 PY 2012 BP 219 EP 229 DI 10.1007/978-1-4614-0782-9_13 D2 10.1007/978-1-4614-0782-9 PG 11 WC Biochemical Research Methods; Genetics & Heredity; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Genetics & Heredity; Mathematical & Computational Biology GA BZT38 UT WOS:000302880800013 ER PT J AU Danila, I Pop, F Escudero, C Feldborg, LN Puigmarti-Luis, J Riobe, F Avarvari, N Amabilino, DB AF Danila, Ion Pop, Flavia Escudero, Carlos Feldborg, Lise N. Puigmarti-Luis, Josep Riobe, Francois Avarvari, Narcis Amabilino, David B. TI Twists and turns in the hierarchical self-assembly pathways of a non-amphiphilic chiral supramolecular material SO CHEMICAL COMMUNICATIONS LA English DT Article ID DISCOTIC LIQUID-CRYSTALS; AMPLIFICATION; ARCHITECTURES; PORPHYRINS; NANOTUBES; RIBBONS; FIBERS AB The formation of helical self-assembled fibres by a C-3 symmetric molecule incorporating three tetrathiafulvalene units is shown to be influenced dramatically by the processing conditions, leading to a variety of different chiral forms, including unprecedented croissants. C1 [Danila, Ion; Pop, Flavia; Avarvari, Narcis] Univ Angers, CNRS, Lab MOLTECH Anjou, UMR 6200,UFR Sci, F-49045 Angers, France. [Feldborg, Lise N.; Puigmarti-Luis, Josep; Riobe, Francois; Amabilino, David B.] ICMAB CSIC, Inst Ciencia Mat Barcelona, Bellaterra 08193, Catalonia, Spain. [Escudero, Carlos] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Avarvari, N (reprint author), Univ Angers, CNRS, Lab MOLTECH Anjou, UMR 6200,UFR Sci, Bat K,2 Bd Lavoisier, F-49045 Angers, France. EM narcis.avarvari@univ-angers.fr; amabilino@icmab.es RI Amabilino, David/D-4671-2012; POP, FLAVIA/F-2988-2013; Puigmarti-Luis, Josep/A-5302-2015; Riobe, Francois/H-8541-2014; Escudero, Carlos/F-8044-2011 OI Amabilino, David/0000-0003-1674-8462; Riobe, Francois/0000-0001-6746-8132; Escudero, Carlos/0000-0001-8716-9391 FU Ministry of Education and Research; National Agency for Research (ANR) [09-BLAN-0045-01]; CNRS, in Spain by the MINECO [CTQ2010-16339]; DGR, Catalonia [2009 SGR 158]; European Community [NMP4-SL-2008-214340]; MEC/Fulbright program [2008-0253]; COST Action [D35] FX This work was supported in France by the Ministry of Education and Research (grants to I. D. and F. R.), the National Agency for Research (ANR, Project 09-BLAN-0045-01), and the CNRS, in Spain by the MINECO (Project CTQ2010-16339), DGR, Catalonia (Project 2009 SGR 158), and the European Community's Seventh Framework Programme under grant agreement no. NMP4-SL-2008-214340, project RESOLVE. C. E. acknowledges financial support from the MEC/Fulbright program (Reference No. 2008-0253). Financial support from the COST Action D35 is also gratefully acknowledged. We warmly thank Judit Oro for helping in the recording of the SEM images. NR 31 TC 35 Z9 35 U1 4 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 38 BP 4552 EP 4554 DI 10.1039/c2cc30789h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 925EG UT WOS:000302743000007 PM 22473290 ER PT J AU Kwak, JH Zhu, HY Lee, JH Peden, CHF Szanyi, J AF Kwak, Ja Hun Zhu, Haiyang Lee, Jong H. Peden, Charles H. F. Szanyi, Janos TI Two different cationic positions in Cu-SSZ-13? SO CHEMICAL COMMUNICATIONS LA English DT Article ID O-T VIBRATIONS; SELECTIVE CATALYTIC-REDUCTION; ION-EXCHANGED COUNTERION; NITRIC-OXIDE; CU+ IONS; FTIR; COORDINATION; ZEOLITES; SPECTRA; ZSM-5 AB H-2-TPR and FTIR were used to characterize the nature of the Cu ions present in the Cu-SSZ-13 zeolite at different ion exchange levels. The results obtained are consistent with the presence of Cu ions at two distinct cationic positions in the SSZ-13 framework. C1 [Kwak, Ja Hun; Zhu, Haiyang; Lee, Jong H.; Peden, Charles H. F.; Szanyi, Janos] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Kwak, JH (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. EM Kwak@pnnl.gov; janos.szanyi@pnnl.gov RI Kwak, Ja Hun/J-4894-2014; OI Peden, Charles/0000-0001-6754-9928 FU US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy; DOE's Office of Biological and Environmental Research FX We gratefully acknowledge the US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy/Vehicle Technologies Program for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle. NR 24 TC 90 Z9 93 U1 10 U2 94 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2012 VL 48 IS 39 BP 4758 EP 4760 DI 10.1039/c2cc31184d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 928SK UT WOS:000303003800031 ER PT J AU Jiang, LJ Moulton, JD Svyatskiy, D AF Jiang, Lijian Moulton, J. David Svyatskiy, Daniil TI Analysis of stochastic mimetic finite difference methods and their applications in single-phase stochastic flows SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Mimetic finite difference method; Stochastic collocation method; Hybrid mixed formulation; Single-phase flow ID RANDOM INPUT DATA; DIFFUSION-PROBLEMS; COLLOCATION METHOD; POLYHEDRAL MESHES; ELLIPTIC PROBLEMS; EQUATIONS; ELEMENTS AB Stochastic modeling has become a widely accepted approach to quantify uncertainty in applications where diffusion plays a central role. In many of these applications the geometry is complex, and important properties of the underlying deterministic continuum model need to be captured accurately. To address these problems we present a stochastic mimetic finite difference (MFD) method for diffusion equations with random input data. Specifically, we use the MFD methodology for the spatial approximation to ensure the necessary accuracy and robustness is achieved. To treat the high-dimensionality of the stochastic approximation efficiently, we use a stochastic collocation method. We consider the stochastic MFD approximation in hybrid form, and perform a rigorous analysis of its semi-discretization and full discretization for the pressure, flux and Lagrange multipliers. Convergence rates are developed for statistical moments of the quantities of interest. Numerical results are presented for single-phase flow in random porous media, and support the efficiency of the stochastic MFD. Published by Elsevier B.V. C1 [Jiang, Lijian; Moulton, J. David; Svyatskiy, Daniil] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jiang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ljiang@lanl.gov; moulton@lanl.gov; dasvyat@lanl.gov FU Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Office of Science Advanced Computing Research (ASCR) FX This work was funded by the Department of Energy at Los Alamos National Laboratory under contracts DE-AC52-06NA25396 and the DOE Office of Science Advanced Computing Research (ASCR) program in Applied Mathematical Sciences. This publication is released by LANL with LA-UR 11-00995. We thank the referees for their constructive comments that helped improved this paper. NR 29 TC 1 Z9 1 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2012 VL 217 BP 58 EP 76 DI 10.1016/j.cma.2011.12.007 PG 19 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 928GP UT WOS:000302971500006 ER PT J AU Salloum, M Alexanderian, A Le Maitre, OP Najm, HN Knio, OM AF Salloum, Maher Alexanderian, Alen Le Maitre, Olivier P. Najm, Habib N. Knio, Omar M. TI Simplified CSP analysis of a stiff stochastic ODE system SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE CSP; Stiff system; Uncertain ODE; Polynomial chaos; Random eigenvalues ID COMPUTATIONAL SINGULAR PERTURBATION; POLYNOMIAL CHAOS; UNCERTAINTY QUANTIFICATION; PROJECTION METHOD; FLOW SIMULATIONS; TIME SCALES; FLUID-FLOW; IGNITION; DECOMPOSITION; CONSTRUCTION AB We develop a simplified computational singular perturbation (CSP) analysis of a stochastic dynamical system. We focus on the case of parametric uncertainty, and rely on polynomial chaos (PC) representations to quantify its impact. We restrict our attention to a system that exhibits distinct timescales, and that tends to a deterministic steady state irrespective of the random inputs. A detailed analysis of eigenvalues and eigenvectors of the stochastic system Jacobian is conducted, which provides a relationship between the PC representation of the stochastic Jacobian and the Jacobian of the Galerkin form of the stochastic system. The analysis is then used to guide the application of a simplified CSP formalism that is based on relating the slow and fast manifolds of the uncertain system to those of a nominal deterministic system. Two approaches are specifically developed with the resulting simplified CSP framework. The first uses the stochastic eigenvectors of the uncertain system as CSP vectors, whereas the second uses the eigenvectors of the nominal system as CSP vectors. Numerical experiments are conducted to demonstrate the results of the stochastic eigenvalue and eigenvector analysis, and illustrate the effectiveness of the simplified CSP algorithms in addressing the stiffness of the system dynamics. (C) 2012 Elsevier B.V. All rights reserved. C1 [Salloum, Maher; Najm, Habib N.] Sandia Natl Labs, Livermore, CA 94551 USA. [Alexanderian, Alen; Knio, Omar M.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Le Maitre, Olivier P.] LIMSI CNRS, F-91403 Orsay, France. RP Knio, OM (reprint author), Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. EM omar.knio@duke.edu RI Le Maitre, Olivier/D-8570-2011; alexanderian, alen/L-2124-2014 OI Le Maitre, Olivier/0000-0002-3811-7787; FU US Department of Energy (DOE) [DE-SC0001980, DE-AC04-94-AL85000]; DOE Office of Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences, and Biosciences; United States Government; French Agence Nationale pour la Recherche [ANR-2010-Blan-0904]; GNR MoMaS; ANDRA; BRGM; CEA; EDF; IRSN FX This work was supported by the US Department of Energy (DOE) under Award No. DE-SC0001980. HNN was supported by the DOE Office of Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. This report was prepared as an account of work sponsored in part 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. The work of OLM. is partially supported by the French Agence Nationale pour la Recherche (Project ANR-2010-Blan-0904) and the GNR MoMaS funded by ANDRA, BRGM, CEA, EDF, and IRSN. NR 47 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2012 VL 217 BP 121 EP 138 DI 10.1016/j.cma.2012.01.001 PG 18 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 928GP UT WOS:000302971500010 ER PT S AU Awes, TC AF Awes, Terry C. CA PHENIX Collaboration BE Elia, D Bruno, GE Cosmai, L DiBari, D Lenti, V TI Small-x Physics in PHENIX SO EPIC@LHC: INTERNATIONAL WORKSHOP ON EARLY PHYSICS WITH HEAVY-ION COLLISIONS AT THE LHC SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Early Physics with Heavy-Ion Collisions/LHC Workshop (EPIC/LHC) CY JUL 06-08, 2011 CL Italian Natl Inst Nucl & Particle Phys (INFN), Giovinazzo, ITALY SP Univ Bari, Univ & Polytechn Bari, Phys Dept HO Italian Natl Inst Nucl & Particle Phys (INFN) DE Small-x; di-hadron; nuclear suppression; gluon saturation ID SCATTERING; COLLISIONS AB We present recent results from the PHENIX experiment on measurements of di-hadron correlations at forward rapidities in d+Au collisions. These measurements probe the small-x region of the parton momenta in the Au nucleus. The di-hadron yield is observed to show large nuclear suppression, as compared to expectations from p+p measurements. The results indicate significant modification of the nuclear parton distributions at small-x, from shadowing or gluon saturation, for example. C1 [Awes, Terry C.; PHENIX Collaboration] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Awes, TC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 15 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1000-8 J9 AIP CONF PROC PY 2012 VL 1422 DI 10.1063/1.3692214 PG 5 WC Physics, Nuclear SC Physics GA BZS39 UT WOS:000302752700025 ER PT S AU Mitchell, JT AF Mitchell, J. T. CA PHENIX Collaboration BE Elia, D Bruno, GE Cosmai, L DiBari, D Lenti, V TI PHENIX Results from the RHIC Beam Energy Scan Program SO EPIC@LHC: INTERNATIONAL WORKSHOP ON EARLY PHYSICS WITH HEAVY-ION COLLISIONS AT THE LHC SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Early Physics with Heavy-Ion Collisions/LHC Workshop (EPIC/LHC) CY JUL 06-08, 2011 CL Italian Natl Inst Nucl & Particle Phys (INFN), Giovinazzo, ITALY SP Univ Bari, Univ & Polytechn Bari, Phys Dept HO Italian Natl Inst Nucl & Particle Phys (INFN) DE QCD; phase diagram; jet suppression; flow ID COLLISIONS AB The Relativistic Heavy Ion Collider has initiated a program to probe the QCD phase diagram in the vicinity of a possible critical point with a beam energy scan. During the 2010 run, the PHENIX experiment took data at root s(NN)=200,62.4,39.0, and 7.7 GeV. Preliminary results from analyses of the suppression of high p(T) particles and the constituent quark scaling of flow are discussed. C1 [Mitchell, J. T.; PHENIX Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Mitchell, JT (reprint author), Brookhaven Natl Lab, Bldg 510C,POB 5000, Upton, NY 11973 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1000-8 J9 AIP CONF PROC PY 2012 VL 1422 DI 10.1063/1.3692204 PG 6 WC Physics, Nuclear SC Physics GA BZS39 UT WOS:000302752700015 ER PT S AU Djalali, C Wood, MH Paolone, M Nasseripour, R Weygand, DP AF Djalali, Chaden Wood, Michael H. Paolone, Michael Nasseripour, Rakhsha Weygand, Dennis P. BE Alarcon, R Ayala, E Granja, C Medina, N TI Absorption of the omega and phi Mesons in Nuclei SO IX LATIN AMERICAN SYMPOSIUM ON NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 9th Latin American Symposium on Nuclear Physics and Applications (LASNPA) CY JUL 18-22, 2011 CL Escuela Politecnica Nacl (EPN), Quito, ECUADOR SP Arizona State Univ, Centro Latino-Amer Fisica (CLAF), Czech Tech Univ, Int Union Pure & Appl Phys (IUPAP), Univ Sao Paulo (USP) HO Escuela Politecnica Nacl (EPN) DE Medium modifications; vector mesons; di-lepton decay; transparency ratios ID HEAVY-ION COLLISIONS; RHO; ENHANCEMENT; DILEPTONS; MATTER; HOT AB The properties of hadrons, such as their masses and widths, are predicted to be modified in dense and/or hot nuclear matter. Particular attention has been given to the modifications of vector-meson properties in ordinary nuclear matter where chiral symmetry is predicted to be partially restored due to a change in the quark condensate. Different models predict relatively large measurable changes in the mass and/or the width of these mesons. The e(+)e(-) decay channel of these mesons has negligible final-state interactions (FSI), providing an ideal tool to study their possible in-medium modifications Due to its short lifetime, the rho meson has a substantial probability of decaying in the nucleus and its study has been previously reported. Due to their long lifetimes, the omega and phi mesons are ideal candidates for the study of possible modifications of the in-medium meson-nucleon interaction through their absorption inside the nucleus. These mesons have been photo-produced in several targets ranging from deuterium to lead. Nuclear transparencies ratios have been derived for different decay channels. These ratios indicate larger in-medium widths compared with what have been reported in other reaction channels. The absorption of the. meson is stronger than that reported by the CBELSA-TAPS experiment. These results are compared to recent theoretical models. C1 [Djalali, Chaden; Paolone, Michael] Univ South Carolina, Dept Phys, Columbia, SC 29208 USA. [Wood, Michael H.] Canisius Coll, Dept Phys, Buffalo, NY 14208 USA. [Nasseripour, Rakhsha] George Washington Univ, Dept Phys, Washington, DC 20052 USA. [Weygand, Dennis P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Djalali, C (reprint author), Univ South Carolina, Dept Phys, Columbia, SC 29208 USA. FU National Science Foundation [NSF-0856010]; The Jefferson Science Associates; LLC; Thomas Jefferson National Accelerator Facility; United States Department of Energy [DE-AC05-84ER40150] FX The authors would like to thank U. Mosel, E. Oset, M. Soyeur and R. Hayano forextensive discussions. This work was supported in part by the National Science Foundation under the award NSF-0856010. The Jefferson Science Associates, LLC, operates the Thomas Jefferson National Accelerator Facility for the United States Department of Energy under contract DE-AC05-84ER40150. NR 30 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1003-9 J9 AIP CONF PROC PY 2012 VL 1423 DI 10.1063/1.3688809 PG 6 WC Physics, Applied; Physics, Nuclear SC Physics GA BZS42 UT WOS:000302767500036 ER PT S AU McKeown, RD AF McKeown, R. D. BE Alarcon, R Ayala, E Granja, C Medina, N TI Electroweak Physics at Jefferson Lab SO IX LATIN AMERICAN SYMPOSIUM ON NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 9th Latin American Symposium on Nuclear Physics and Applications (LASNPA) CY JUL 18-22, 2011 CL Escuela Politecnica Nacl (EPN), Quito, ECUADOR SP Arizona State Univ, Centro Latino-Amer Fisica (CLAF), Czech Tech Univ, Int Union Pure & Appl Phys (IUPAP), Univ Sao Paulo (USP) HO Escuela Politecnica Nacl (EPN) DE Parity violation; fundamental symmetries; neutral currents; gauge boson; dark matter ID SCATTERING AB The Continuous Electron Beam Accelerator Facility (CEBAF) at the Thomas Jefferson National Accelerator Facility provides CW electron beams with high intensity, remarkable stability, and a high degree of polarization. These capabilities offer new and unique opportunities to search for novel particles and forces that would require extension of the standard model. CEBAF is presently undergoing an upgrade that includes doubling the energy of the electron beam to 12 GeV and enhancements to the experimental equipment. This upgraded facility will provide increased capability to address new physics beyond the standard model. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP McKeown, RD (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. NR 16 TC 8 Z9 8 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1003-9 J9 AIP CONF PROC PY 2012 VL 1423 DI 10.1063/1.3688816 PG 8 WC Physics, Applied; Physics, Nuclear SC Physics GA BZS42 UT WOS:000302767500043 ER PT S AU Paolone, M Kunkel, M Djalali, C Nasseripour, R Weygand, D Wood, M AF Paolone, M. Kunkel, M. Djalali, C. Nasseripour, R. Weygand, D. Wood, M. CA CLAS Collaboration BE Alarcon, R Ayala, E Granja, C Medina, N TI Recent Studies of the Leptonic Decays of Photoproduced Vector and Pseudoscalar Mesons off of H-1 at Jefferson Lab SO IX LATIN AMERICAN SYMPOSIUM ON NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 9th Latin American Symposium on Nuclear Physics and Applications (LASNPA) CY JUL 18-22, 2011 CL Escuela Politecnica Nacl (EPN), Quito, ECUADOR SP Arizona State Univ, Centro Latino-Amer Fisica (CLAF), Czech Tech Univ, Int Union Pure & Appl Phys (IUPAP), Univ Sao Paulo (USP) HO Escuela Politecnica Nacl (EPN) DE rho-omega Interference; eta Form Factor AB Jefferson Lab's experiment E04-005, the largest integrated luminosity real photon CLAS experiment to date, provided a large sample of leptonic data; allowing for studies of the rho - omega interference in the dileptonic decay channel, as well as charge radius and comparative branching ratio studies of the eta and eta' through the Dalitz decay channel. An experimental study of the rho - omega provides valuable input for theoretical models and calculations in addition to establishing a comparative basis for medium modification studies of vector mesons off of heavier targets. The total statistics collected for the eta dalitz exceed the world's published statistics by an order of magnitude, while the eta' Daltiz decay is observed and measured for the first time. C1 [Paolone, M.; Djalali, C.] Univ S Carolina, Columbia, SC 29208 USA. [Kunkel, M.] Old Dominion Univ, Norfolk, VA 23529 USA. [Nasseripour, R.] George Washington Univ, Washington, DC 20052 USA. [Weygand, D.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Wood, M.] Canisius Coll, Buffalo, NY 14208 USA. RP Paolone, M (reprint author), Univ S Carolina, Columbia, SC 29208 USA. FU CLAS collaboration; Latin American Symposium on Nuclear Physics and Applications IX for allowing us to present these findings; National Science Foundation [NSF-0856010] FX We would like to thank the Thomas Jefferson National Accelerator Facility staff and the CLAS collaboration for all the support they have provided. We would also like to thank the organizers of the Latin American Symposium on Nuclear Physics and Applications IX for allowing us to present these findings. This work was supported in part by the National Science Foundation under the award NSF-0856010 NR 10 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1003-9 J9 AIP CONF PROC PY 2012 VL 1423 DI 10.1063/1.3688811 PG 6 WC Physics, Applied; Physics, Nuclear SC Physics GA BZS42 UT WOS:000302767500038 ER PT S AU Roblin, YR Beard, KB Bogacz, SA Morozov, V AF Roblin, Yves R. Beard, K. B. Bogacz, S. A. Morozov, V. BE Alarcon, R Ayala, E Granja, C Medina, N TI Recirculating Linear Accelerators for Future Muon Facilities SO IX LATIN AMERICAN SYMPOSIUM ON NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 9th Latin American Symposium on Nuclear Physics and Applications (LASNPA) CY JUL 18-22, 2011 CL Escuela Politecnica Nacl (EPN), Quito, ECUADOR SP Arizona State Univ, Centro Latino-Amer Fisica (CLAF), Czech Tech Univ, Int Union Pure & Appl Phys (IUPAP), Univ Sao Paulo (USP) HO Escuela Politecnica Nacl (EPN) AB Neutrino Factories (NF) and Muon Colliders (MC) require rapid acceleration of short-lived muons to multi-GeV and TeV energies. A Recirculating Linear Accelerator (RLA) that uses superconducting RF structures can provide exceptionally fast and economical acceleration to the extent that the focusing range of the RLA quadrupoles allows each muon to pass several times through each high-gradient cavity. A new concept of rapidly changing the strength of the RLA focusing quadrupoles as the muons gain energy is being developed to increase the number of passes that each muon will make in the RF cavities, leading to greater cost effectiveness. We discuss the optics and technical requirements for RLA designs, using RF cavities capable of simultaneous acceleration of both mu(+) and mu(-) species. The design will include the optics for the multi-pass linac and droplet-shaped return arcs. C1 [Roblin, Yves R.; Bogacz, S. A.; Morozov, V.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Beard, K. B.] Muons Inc, Batavia, IL USA. RP Roblin, YR (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1003-9 J9 AIP CONF PROC PY 2012 VL 1423 DI 10.1063/1.3688840 PG 6 WC Physics, Applied; Physics, Nuclear SC Physics GA BZS42 UT WOS:000302767500067 ER PT J AU Guedj, J Dahari, H Pohl, RT Ferenci, P Perelson, AS AF Guedj, Jeremie Dahari, Harel Pohl, Ralf T. Ferenci, Peter Perelson, Alan S. TI Understanding silibinin's modes of action against HCV using viral kinetic modeling SO JOURNAL OF HEPATOLOGY LA English DT Article DE Hepatitis C; Silibinin; Viral kinetics; Mathematical modeling ID HEPATITIS-C VIRUS; GENOTYPE 1 INFECTION; INTRAVENOUS SILIBININ; THERAPY; TELAPREVIR; SILYMARIN; RIBAVIRIN; PEGINTERFERON; RNA; PHARMACODYNAMICS AB Background & Aims: Legalon (R) SIL (SIL) is a chemically hydrophilized version of silibinin that has exhibited high antiviral effectiveness against hepatitis C virus (HCV). Its main mode of action (MOA) remains unclear, with contradicting in vitro studies supporting either suppression of entry and cell-to-cell spread or suppression of viral RNA synthesis as the main MOA. We sought to provide new insights into SIL's MOA in HCV genotype-1/4 patients receiving intravenous SIL monotherapy for 7 days via mathematical modeling. Methods: Changes in HCV RNA in 25 patients receiving 10, 15, or 20 mg/kg/day of SIL were analyzed and modeled using viral kinetic methods. Results: In 15 patients, the virus declined in a biphasic manner, in which a sharp drop between days 0 and 2 was followed by a slower second phase of decline. In 10 patients, the initial decline was weaker and the virus declined in a single phase over the 7-day period. The blocking production effectiveness, epsilon, was dose-dependent with mean epsilon = 0.49 and 0.89 in the 10 or 15 and 20 mg/kg/day dosing groups, respectively (p = 0.02). The effectiveness of blocking viral infection, eta, was estimated as 0.60 with no significant differences across dosing groups. For all patients, the mean rate of viral load decline measured between days 2 and 7 was high (0.3 log(10) IU/ml/day), i.e., 4-fold higher than typically observed during the 2nd phase of (pegylated)-interferon-alpha +/- ribavirin treatment. Conclusions: Modeling HCV kinetics in vivo suggests that SIL may block both viral infection and viral production/release with its main dose-dependent effect being blocking viral production/release. (C) 2012 European Association for the Study of the Liver. Published by Elsevier B.V. All rights reserved. C1 [Guedj, Jeremie; Dahari, Harel; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Dahari, Harel] Univ Illinois, Dept Med, Chicago, IL 60612 USA. [Pohl, Ralf T.] Madaus GmbH, Rottapharm Madaus, D-51067 Cologne, Germany. [Ferenci, Peter] Med Univ Vienna, Dept Gastroenterol & Hepatol, Vienna, Austria. RP Perelson, AS (reprint author), Los Alamos Natl Lab, MS-K710, Los Alamos, NM 87545 USA. EM asp@lanl.gov RI Guedj, Jeremie/A-6842-2017 OI Guedj, Jeremie/0000-0002-5534-5482 FU U.S. Department of Energy [DE-AC52-06NA25396]; NIH [RR006555, P20-RR018754, AI078881, AI065256, AI028433]; University of Illinois Walter Payton Liver Center GUILD FX This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396, and supported by NIH Grants RR006555, P20-RR018754, AI078881, AI065256, and AI028433, and by the University of Illinois Walter Payton Liver Center GUILD. NR 38 TC 32 Z9 32 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-8278 J9 J HEPATOL JI J. Hepatol. PY 2012 VL 56 IS 5 BP 1019 EP 1024 PG 6 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 928KE UT WOS:000302980800005 PM 22245888 ER PT J AU Liao, T Sun, CH Du, AJ Sun, ZQ Hulicova-Jurcakova, D Smith, S AF Liao, Ting Sun, Chenghua Du, Aijun Sun, Ziqi Hulicova-Jurcakova, Denisa Smith, Sean TI Charge carrier exchange at chemically modified graphene edges: a density functional theory study SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID WANNIER FUNCTIONS; ENERGY; SUPERCAPACITOR; SYSTEMS; CARBON; FILMS AB Heteroatom doping on the edge of graphene may serve as an effective way to tune chemical activity of carbon-based electrodes with respect to charge carrier transfer in an aqueous environment. In a step towards developing mechanistic understanding of this phenomenon, we explore herein mechanisms of proton transfer from aqueous solution to pristine and doped graphene edges utilizing density functional theory. Atomic B-, N-, and O-doped edges as well as the native graphene are examined, displaying varying proton affinities and effective interaction ranges with the H3O+ charge carrier. Our study shows that the doped edges characterized by more dispersive orbitals, namely boron and nitrogen, demonstrate more energetically favourable charge carrier exchange compared with oxygen, which features more localized orbitals. Extended calculations are carried out to examine proton transfer from the hydronium ion in the presence of explicit water, with results indicating that the basic mechanistic features of the simpler model are unchanged. C1 [Smith, Sean] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sun, Ziqi] Univ Wollongong, Inst Superconducting & Elect Mat, Wollongong, NSW 2500, Australia. [Sun, Chenghua; Hulicova-Jurcakova, Denisa] Univ Queensland, Australian Inst Bioengn & Nanotechnol, ARC Ctr Excellence Funct Nanomat, Brisbane, Qld 4072, Australia. [Liao, Ting; Sun, Chenghua; Du, Aijun] Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia. RP Smith, S (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM t.liao1@uq.edu.au; c.sun1@uq.edu.au; a.du@uq.edu.au; ziqi@uow.edu.au; d.jurcakova@uq.edu.au; smithsc@ornl.gov RI Du, Aijun/C-5759-2009; Sun, Ziqi/A-8122-2011; Sun, Chenghua/C-5734-2009; LIAO, Ting/C-7027-2012 OI Du, Aijun/0000-0002-3369-3283; Sun, Ziqi/0000-0002-4777-4017; LIAO, Ting/0000-0001-7488-6244 FU University of Queensland; Center for Nanophase Materials Sciences FX TL acknowledges financial support from the University of Queensland Postdoctoral Research Fellowship. We also appreciate the generous grants of CPU time from both the University of Queensland and the Australian National Computational Infrastructure Facility. SCS acknowledges support from the Center for Nanophase Materials Sciences, which is sponsored at the Oak Ridge National Laboratory by the Scientific User Facilities Division, US Department of Energy. NR 40 TC 8 Z9 8 U1 5 U2 56 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2012 VL 22 IS 17 BP 8321 EP 8326 DI 10.1039/c2jm30387f PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 919YG UT WOS:000302367500021 ER PT J AU Ileri, N Stroeve, P Palazoglu, A Faller, R Zaidi, SH Nguyen, HT Britten, JA Letant, SE Tringe, JW AF Ileri, Nazar Stroeve, Pieter Palazoglu, Ahmet Faller, Roland Zaidi, Saleem H. Nguyen, Hoang T. Britten, Jerald A. Letant, Sonia E. Tringe, Joseph W. TI Fabrication of functional silicon-based nanoporous membranes SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS LA English DT Article DE membrane; interferometric lithography; nanopore; separation; silicon; microfluidic; sieve ID SELF-ASSEMBLED MONOLAYERS; SOLID-STATE NANOPORES; PROTEIN-TRANSPORT; INTERFERENCE LITHOGRAPHY; BIOMOLECULE SEPARATION; ANODIC ALUMINA; NITRIDE; ARRAYS; SURFACES; SIZE AB Macroscopic porous membranes with pore diameter uniformity approaching the nanometer scale have great potential to significantly increase the speed, selectivity, and efficiency of molecular separations. We present fabrication, characterization, and molecular transport evaluation of nanoporous thin silicon-based sieves created by laser interferometric lithography (LIL). This fabrication approach is ideally suited for the integration of nanostructured pore arrays into larger microfluidic processing systems, using a simple all-silicon lithographic process. Submillimeter-scale planar arrays of uniform cylindrical and pyramidal nanopores are created in silicon nitride and silicon, respectively, with average pore diameters below 250 nm and significantly smaller standard error than commercial polycarbonate track etched (PCTE) membranes. Molecular transport properties of short cylindrical pores fabricated by LIL are compared to those of thicker commercial PCTE membranes for the first time. A 10-fold increase in pyridine pore flux is achieved with thin membranes relative to commercial sieves, without any modification of the membrane surface. (C) 2012 Society of Photo-Optical Instrumentation Engineers (SPIE). [DOI: 10.1117/1.JMM.11.1.013012] C1 [Ileri, Nazar; Stroeve, Pieter; Palazoglu, Ahmet; Faller, Roland] Univ Calif Davis, Chem Engn & Mat Sci Dept, Davis, CA 95616 USA. [Ileri, Nazar; Nguyen, Hoang T.; Britten, Jerald A.; Letant, Sonia E.; Tringe, Joseph W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Zaidi, Saleem H.] Gratings Inc, Albuquerque, NM 87107 USA. RP Ileri, N (reprint author), Univ Calif Davis, Chem Engn & Mat Sci Dept, Davis, CA 95616 USA. EM tringe2@llnl.gov FU University of California [2007-03]; LLNL LDRD [07-FS-001]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Special thanks to Harold Levie for his help on the preparation of membrane-metal sheet samples for the diffusion experiments. This work was partially supported by the University of California System wide Biotechnology Research & Education Training Program (GREAT) grant 2007-03 and by LLNL LDRD 07-FS-001. Parts of this work were performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 54 TC 6 Z9 6 U1 2 U2 44 PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1932-5150 J9 J MICRO-NANOLITH MEM JI J. Micro-Nanolithogr. MEMS MOEMS PD JAN-MAR PY 2012 VL 11 IS 1 AR 013012 DI 10.1117/1.JMM.11.1.013012 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Engineering; Science & Technology - Other Topics; Materials Science; Optics GA 925SP UT WOS:000302781900024 ER PT J AU Hudak, NS Huber, DL AF Hudak, Nicholas S. Huber, Dale L. TI Size Effects in the Electrochemical Alloying and Cycling of Electrodeposited Aluminum with Lithium SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CHLOROALUMINATE MOLTEN-SALT; ION BATTERIES; NEGATIVE-ELECTRODE; ROOM-TEMPERATURE; ANODE MATERIALS; RECHARGEABLE BATTERIES; MICROBATTERIES; MORPHOLOGY; NANOWIRES; CHLORIDE AB The electrochemical alloying and cycling of electrodeposited aluminum films, electron-beam deposited aluminum films, and template-synthesized aluminum nanorods with lithium is presented here. Electrodeposition of aluminum is performed at room temperature using ionic liquid solutions and is shown to exhibit high faradaic efficiency. To study the dependence of lithium-aluminum cycling on size, the thickness of these films is varied between 0.25 mu m and 6.2 mu m by varying the electrodeposition time. Electrochemical alloying and de-alloying of these films with lithium is observed in lithium half-cells at room temperature. The films reach theoretical capacity for the formation of LiAl (1 Ah g(-1)). The performance of electrodeposited aluminum films is dependent on film thickness, and the thinnest films exhibit the worst cycling behavior. Cycling of aluminum films formed by electron-beam deposition is in quantitative agreement with that of films formed by electrodeposition, and the two types of films have a similar appearance in SEM images taken after cycling. Synthesis of aluminum nanorod arrays on stainless steel substrates is also demonstrated using electrodeposition into anodic aluminum oxide templates followed by template dissolution. Unlike nanostructures of other lithium-alloying materials, the electrochemical performance of these aluminum nanorod arrays is worse than that of bulk aluminum. (C) 2012 The Electrochemical Society. [DOI:10.1149/2.023206jes] All rights reserved. C1 [Hudak, Nicholas S.; Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Hudak, NS (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM nhudak@sandia.gov RI Hudak, Nicholas/D-3529-2011; Huber, Dale/A-6006-2008 OI Huber, Dale/0000-0001-6872-8469 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge Xiaohua Liu and Andrew Price, both of Sandia National Laboratories, for assistance with SEM sample preparation and imaging. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a 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 43 TC 13 Z9 13 U1 2 U2 68 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A688 EP A695 DI 10.1149/2.023206jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800027 ER PT J AU Idemoto, Y Kitamura, N Ueki, K Vogel, SC Uchimoto, Y AF Idemoto, Yasushi Kitamura, Naoto Ueki, Kenichiro Vogel, Sven C. Uchimoto, Yoshiharu TI Average and Local Structure Analyses of Li(Mn1/3Ni1/3Co1/3-xAlx)O-2 Using Neutron and Synchrotron X-ray Sources SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CATHODE ACTIVE MATERIAL; LITHIUM-ION BATTERIES; SOLID-STATE CHEMISTRY; CRYSTAL-STRUCTURE; ELECTROCHEMICAL PROPERTIES; THERMODYNAMIC STABILITY; POWDER DIFFRACTION; LI-X(MN1/3CO1/3NI1/3)O-2; LICO1/3NI1/3MN1/3O2; LINI0.5MN0.5O2 AB We prepared Li(Mn1/3Ni1/3Co1/3-xAlx)O-2 by a solution method, and then investigated the electrode characteristics and average and local structures. From the charge-discharge cycle tests, it was found that Li(Mn1/3Ni1/3Co2/9Al1/9)O-2 exhibited a worse cycle performance than Li(Mn1/3Ni1/3Co1/3)O-2. In order to clarify the reason for this decrease from the viewpoint of the crystal structure, the average structures of the samples were studied by the Rietveld and Maximum Entropy Method (MEM) techniques using the neutron and synchrotron X-ray diffraction patterns. As a result, it was found that the Al substitution did not have a significant effect on the average structure. In order to reveal the local structures, we also performed X-ray absorption fine structure (XAFS) and Pair Distribution Function (PDF) analysis using neutron scattering data. These analyses implied that the stacking of the transition-metal layers varied by the partial substitution of Al for Co, and the arrangement had an influence on the cathode properties. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.007206jes] All rights reserved. C1 [Idemoto, Yasushi; Kitamura, Naoto; Ueki, Kenichiro] Tokyo Univ Sci, Fac Sci & Technol, Dept Pure & Appl Chem, Noda, Chiba 2788510, Japan. [Vogel, Sven C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Uchimoto, Yoshiharu] Kyoto Univ, Grad Sch Human & Environm Studies, Sakyo Ku, Kyoto 6068501, Japan. RP Idemoto, Y (reprint author), Tokyo Univ Sci, Fac Sci & Technol, Dept Pure & Appl Chem, Noda, Chiba 2788510, Japan. EM idemoto@rs.noda.tus.ac.jp RI Lujan Center, LANL/G-4896-2012 NR 19 TC 4 Z9 4 U1 2 U2 47 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A673 EP A677 DI 10.1149/2.007206jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800025 ER PT J AU Lu, WQ Lopez, CM Liu, N Vaughey, JT Jansen, A Dees, DW AF Lu, Wenquan Lopez, Carmen M. Liu, Nathan Vaughey, John T. Jansen, Andrew Dees, Dennis W. TI Overcharge Effect on Morphology and Structure of Carbon Electrodes for Lithium-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID AGING MECHANISMS; LI; CELLS; TRANSITIONS AB Lithium metal plating on graphite anodes of Li-ion batteries is one of the causes of capacity fading and failure. An overcharge experiment on the graphite anode was conducted and the morphology and structure of graphite were characterized using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). It was found that the failure mechanism of graphite during overcharge is similar to that of the lithium metal electrode. The deposited lithium will react with the electrolyte to form a new solid electrolyte interface (SEI) layer, which will prevent further accessibility during the following cycles. According to SEM and TEM images, this SEI layer shares the same morphologies of the lithium metal electrode during cycling. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.jes035205] All rights reserved. C1 [Lu, Wenquan; Lopez, Carmen M.; Liu, Nathan; Vaughey, John T.; Jansen, Andrew; Dees, Dennis W.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Lu, WQ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM luw@anl.gov RI Jansen, Andrew/Q-5912-2016; OI Jansen, Andrew/0000-0003-3244-7790; Lopez, Carmen M./0000-0002-6096-0674; Vaughey, John/0000-0002-2556-6129 FU U.S. Department of Energy's Office of Vehicle Technologies Program; U.S. Department of Energy Office of Science Laboratory by UChicago Argonne, LLC [DE-AC02-06CH11357] FX Support from David Howell and Peter Faguy of the U.S. Department of Energy's Office of Vehicle Technologies Program is gratefully acknowledged. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 16 TC 26 Z9 28 U1 5 U2 74 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A566 EP A570 DI 10.1149/2.jes035205 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800008 ER PT J AU Ridgway, P Zheng, HH Bello, AF Song, XY Xun, SD Chong, J Battaglia, V AF Ridgway, Paul Zheng, Honghe Bello, A. F. Song, Xiangyun Xun, Shidi Chong, Jin Battaglia, Vincent TI Comparison of Cycling Performance of Lithium Ion Cell Anode Graphites SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID INTERCALATION; CAPACITY AB Battery grade graphite products from major suppliers to the battery industry were evaluated in 2325 coin cells with lithium counter electrodes. First and subsequent cycle efficiency, discharge capacity, and discharge rate performance were measured to compare these anode materials. A formula has been developed to utilize lithium ion battery cycling performance data to estimate the overall battery cost, relative to the cost of a battery using MCMB. This analysis indicates that replacing MCMB with CPG-8 (Conoco Phillips) would reduce battery cost (including consideration of a replacement frequency driven by the anode) by 40% (assuming equal graphite prices), whereas use of each of the other graphites would lead to a more costly battery. Therefore we chose CPG-8 as the new baseline graphite for the BATT Program. Significant or strong correlations were found between graphite particle surface area and first cycle irreversible capacity, particle size and rate capacity, and rhombohedral fraction and discharge capacity. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.006205jes] All rights reserved. C1 [Ridgway, Paul; Zheng, Honghe; Bello, A. F.; Song, Xiangyun; Xun, Shidi; Chong, Jin; Battaglia, Vincent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ridgway, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM PLRidgway@lbl.gov RI xun, shidi/D-5679-2012 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] 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 No. DE-AC02-05CH11231. OMAC-15 and SNG-12 powders and electrodes were donated by HydroQuebec. Tom Richardson (LBNL) contributed substantially to the XRD analysis. NR 7 TC 10 Z9 11 U1 0 U2 39 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A520 EP A524 DI 10.1149/2.006205jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800002 ER PT J AU Tang, M Miyazaki, K Abe, T Newman, J AF Tang, Maureen Miyazaki, Kohei Abe, Takeshi Newman, John TI Effect of Graphite Orientation and Lithium Salt on Electronic Passivation of Highly Oriented Pyrolytic Graphite SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID NOBLE-METAL ELECTRODES; SURFACE-FILM FORMATION; ORGANIC-SOLVENTS; ION BATTERIES; ELECTROCHEMISTRY; KINETICS; MODEL AB This work studies the effect of edge-to-basal plane ratio on the macroscopic formation kinetics and electrochemical properties of the solid-electrolyte-interphase (SEI). The relative fraction of edge and basal planes was calculated by measuring the double-layer capacitance of highly oriented pyrolytic graphite (HOPG) in 1.0MKCl. The formation kinetics was studied using chronoamperometry (CA) and cyclic voltammetry (CV). The electrochemical properties of the SEI were studied by CV and electrochemical impedance spectroscopy (EIS) of ferrocene. Results show that, as expected, current due to both lithium intercalation and SEI formation increases with the fraction of edge planes. After SEI formation in LiClO4-based electrolyte, the edge plane permits slightly more electron transfer to ferrocene. Attempts to form the SEI incompletely by running CV scans to progressively lower voltages show that oxygen contamination produces a more passivating SEI. Ferrocene CV shows that the SEI formation causes mass-transport limitations by either formation of a porous layer or blocking the active area of the electrode, but the kinetics of the ferrocene reaction remains fast even in the presence of the SEI. Comparison of formation CVs for LiPF6- and LiClO4-based electrolytes shows that HOPG passivates much more rapidly with LiClO4. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.073205jes] All rights reserved. C1 [Tang, Maureen; Newman, John] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Tang, Maureen; Newman, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Miyazaki, Kohei; Abe, Takeshi] Kyoto Univ, Grad Sch Engn, Kyoto 6158510, Japan. RP Tang, M (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM mtang@berkeley.edu RI Abe, Takeshi/F-2544-2010; Newman, John/B-8650-2008; Miyazaki, Kohei/E-4631-2010 OI Newman, John/0000-0002-9267-4525; Miyazaki, Kohei/0000-0001-5177-3570 FU Japan Society for the Promotion of Science; National Science Foundation's East Asia Pacific Summer Institute; Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Japan Society for the Promotion of Science Summer Program and the National Science Foundation's East Asia Pacific Summer Institute, as well as 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. Useful feedback and invaluable translation from S. Takeuchi are gratefully acknowledged. NR 24 TC 21 Z9 21 U1 8 U2 70 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A634 EP A641 DI 10.1149/2.073205jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800018 ER PT J AU Xu, F He, H Liu, YD Dun, C Ren, Y Liu, Q Wang, MX Xie, J AF Xu, Fan He, Hao Liu, YaDong Dun, Clif Ren, Yang Liu, Qi Wang, Mei-xian Xie, Jian TI Failure Investigation of LiFePO4 Cells under Overcharge Conditions SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION CELLS; BATTERIES; TEMPERATURE; CORROSION; MECHANISM; CAPACITY; POWER AB The failure mechanism of LiFePO4 cells during overcharge conditions has been systematically studied using commercial A123 18650 cells at a 1C rate and different conditions - from 5% to 20% overcharge (SOC = 105% to 120%). SEM/EDX, high-energy synchrotron XRD (HESXRD), and cyclic voltammetry (CV) were used to characterize the morphology, structure, and electrode potentials of cell components both in situ and ex situ. The failure behaviors for A123 18650 cells experiencing different degrees of overcharges were found to be similar, and the 10% overcharge process was analyzed as the representative example. The Fe redox potentials in the 1.2 M LiPF6 EC/EMC electrolyte were measured during the overcharge/discharge process using CV, proving that Fe oxidation and reduction in the cell during the overcharge/discharge cycle is theoretically possible. A possible failure mechanism is proposed: during the overcharging process, metallic Fe oxidized first to Fe2+, then to Fe3+ cations; next, these Fe2+ and Fe3+ cations diffused to the anode side from the cathode side; and finally, these Fe3+ cations reduced first to Fe2+ cations, and then reduced further, back to metallic Fe. During overcharge/discharge cycling, Fe dendrites continued growing from both the anode and the cathode sides simultaneously, penetrating through the separator and forming an iron bridge between the anode and cathode. The iron bridge caused micro-shorting and eventually led to the failure of the cell. During the overcharge/discharge cycles, the continued cell temperature increase at the end of overcharge is evidence of the micro-shorting. (C) 2012 The Electrochemical Society. [DOI:10.1149/2.024206jes] All rights reserved. C1 [Xu, Fan; He, Hao; Liu, YaDong; Liu, Qi; Wang, Mei-xian; Xie, Jian] Indiana Univ Purdue Univ, Dept Mech Engn, Purdue Sch Engn & Technol, Indianapolis, IN 46202 USA. [Dun, Clif] Indiana Univ, Sch Dent, Indianapolis, IN 46202 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Xu, F (reprint author), Indiana Univ Purdue Univ, Dept Mech Engn, Purdue Sch Engn & Technol, Indianapolis, IN 46202 USA. EM jianxie@iupui.edu RI Xu, Fan/L-1114-2013 FU U.S. Navy [N00164-09-C-GS42]; U.S. Department of Energy, Office of Science, Office of Basic Energy Science [DE-AC02-06CH11357] FX This work was financially supported by the U.S. Navy under contract N00164-09-C-GS42. The authors would also like to express appreciation to A123 Systems for providing the 18650 LiFePO4 cells for testing. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Science, under Contract No. DE-AC02-06CH11357. NR 18 TC 9 Z9 12 U1 4 U2 64 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP A678 EP A687 DI 10.1149/2.024206jes PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800026 ER PT J AU Arisetty, S Wang, X Ahluwalia, RK Mukundan, R Borup, R Davey, J Langlois, D Gambini, F Polevaya, O Blanchet, S AF Arisetty, S. Wang, X. Ahluwalia, R. K. Mukundan, R. Borup, R. Davey, J. Langlois, D. Gambini, F. Polevaya, O. Blanchet, S. TI Catalyst Durability in PEM Fuel Cells with Low Platinum Loading SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LANTHANUM STRONTIUM VANADATE; SOFC ANODES; HIGH-PERFORMANCE; OXIDATION; CERIA; VANADIUM; METHANE; HYDRODECHLORINATION; CONDUCTIVITY; TEMPERATURE AB The effect of platinum loading on catalyst durability was investigated by subjecting two identical 50-cm(2) active area cells with 0.15 and 0.4 mg(Pt).cm(-2) in cathode to 30,000 triangle sweep cycles between 0.6 V and 1 V at 50 mV.s(-1) scan rate. The gas flow conditions were 80 degrees C, 1 atm, and 100% relative humidity for H-2 (fuel) and N-2 (oxidant). Both cells lost about 55% of the initial electrochemically active surface area and showed similar H-2 crossover rates and decreases in high frequency resistance. Analysis of the back-scan polarization data indicated that the Tafel slope increased by 5-10% over the initial 5,000 cycles, and then more gradually over the subsequent 25,000 cycles. Consistent with the XRD measurements that showed growth in the average size of Pt particles, the estimated exchange current density (mA.cm(Pt)(-2)) increased by similar to 20% over the test period for both cells. Both the activation overpotentials for oxygen reduction and the mass transfer overpotentials increased with cycling. The mass transfer overpotentials were higher in the 0.15-mg(Pt).cm(-2) cell and increased faster with cycling than the overpotentials in the higher Pt-loaded cell. (C) 2012 The Electrochemical Society. [DOI:10.1149/2.jes113064] All rights reserved. C1 [Arisetty, S.; Wang, X.; Ahluwalia, R. K.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mukundan, R.; Borup, R.; Davey, J.; Langlois, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gambini, F.; Polevaya, O.; Blanchet, S.] Nuvera Fuel Cells Inc, Billerica, MA 01821 USA. RP Arisetty, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sarisetty@anl.gov OI Mukundan, Rangachary/0000-0002-5679-3930 NR 39 TC 18 Z9 18 U1 1 U2 32 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP B455 EP B646 DI 10.1149/2.jes113064 PG 192 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800028 ER PT J AU Ramadesigan, V Northrop, PWC De, S Santhanagopalan, S Braatz, RD Subramanian, VR AF Ramadesigan, Venkatasailanathan Northrop, Paul W. C. De, Sumitava Santhanagopalan, Shriram Braatz, Richard D. Subramanian, Venkat R. TI Modeling and Simulation of Lithium-Ion Batteries from a Systems Engineering Perspective (vol 159, pg R31, 2012) SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Correction C1 [Ramadesigan, Venkatasailanathan; Northrop, Paul W. C.; De, Sumitava; Subramanian, Venkat R.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. [Santhanagopalan, Shriram] Natl Renewable Energy Lab, Ctr Transportat Technol & Syst, Golden, CO 80401 USA. [Braatz, Richard D.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. RP Ramadesigan, V (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. NR 1 TC 4 Z9 4 U1 5 U2 27 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP S12 EP S12 DI 10.1149/2.086205jes PG 1 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800097 ER PT J AU Sheng, WC Chen, S Vescovo, E Shao-Horn, Y AF Sheng, Wenchao Chen, Shuo Vescovo, Elio Shao-Horn, Yang TI Size Influence on the Oxygen Reduction Reaction Activity and Instability of Supported Pt Nanoparticles (vol 159, pg B96, 2012) SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Correction C1 [Sheng, Wenchao] MIT, Dept Chem, Cambridge, MA 02139 USA. [Chen, Shuo; Shao-Horn, Yang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Shao-Horn, Yang] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Vescovo, Elio] Brookhaven Natl Lab, Upton, NY 11937 USA. RP Sheng, WC (reprint author), MIT, Dept Chem, Cambridge, MA 02139 USA. RI Sheng, Wenchao/E-6196-2012 NR 1 TC 1 Z9 1 U1 0 U2 9 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2012 VL 159 IS 5 BP S13 EP S13 DI 10.1149/2.039206jes PG 1 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 917XL UT WOS:000302211800098 ER PT J AU Sun, MX Lebanon, G Kidwell, P AF Sun, Mingxuan Lebanon, Guy Kidwell, Paul TI Estimating probabilities in recommendation systems SO JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES C-APPLIED STATISTICS LA English DT Article DE Kernel smoothing; Ranked data; Recommender systems ID PARTIALLY RANKED DATA; MODELS AB . Recommendation systems are emerging as an important business application with significant economic impact. Currently popular systems include Amazon's book recommendations, Netflix's movie recommendations and Pandora's music recommendations. We address the problem of estimating probabilities associated with recommendation system data by using non-parametric kernel smoothing. In our estimation we interpret missing items as randomly censored observations of preference relations and obtain efficient computation schemes by using combinatorial properties of generating functions. We demonstrate our approach with several case-studies involving real world movie recommendation data. The results are comparable with state of the art techniques while also providing probabilistic preference estimates outside the scope of traditional recommender systems. C1 [Sun, Mingxuan] Georgia Inst Technol, Coll Comp, Atlanta, GA 30332 USA. [Kidwell, Paul] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Sun, MX (reprint author), Georgia Inst Technol, Coll Comp, 266 Ferst Dr, Atlanta, GA 30332 USA. EM cynthia@cc.gatech.edu NR 27 TC 4 Z9 4 U1 0 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-9254 EI 1467-9876 J9 J R STAT SOC C-APPL JI J. R. Stat. Soc. Ser. C-Appl. Stat. PY 2012 VL 61 BP 471 EP 492 DI 10.1111/j.1467-9876.2011.01027.x PN 3 PG 22 WC Statistics & Probability SC Mathematics GA 926XQ UT WOS:000302866200005 ER PT S AU Mukhopadhyay, D Antonio, D Jung, IW Lopez, D AF Mukhopadhyay, D. Antonio, D. Jung, I. W. Lopez, D. BE Schenk, H Piyawattanametha, W Noell, W TI Self-sustained oscillation of MEMS torsional micromirrors SO MOEMS AND MINIATURIZED SYSTEMS XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on MOEMS and Miniaturized Systems XI CY JAN 24-25, 2012 CL San Francisco, CA SP SPIE, Bridger Photon, Inc, Dyoptyka, VUZIX Corp DE MEMS; micromirror; self-sustained oscillation; torsional; in-plane combdrives; synchronization AB Several applications of optical micromirrors need synchronization of its mechanical oscillation with an external control signal. Self-sustained oscillation of micromirrors is a prerequisite for achieving such synchronization. To suppress its mechanical deformation these micromirrors are operated under atmospheric or controlled pressure environment. Operation under this environment leads to increase in driving voltages to achieve required deflections. However, significant parasitic crosstalk due to these high driving voltages presents a challenge for achieving their self-sustained oscillations. In this paper, stable self-sustained oscillation of a 13.5kHz micromirror is achieved at atmospheric pressure by actively suppressing its crosstalk. Frequency stability of 7.2ppm is obtained for this micromirror's self-sustained oscillation at atmospheric pressure. C1 [Mukhopadhyay, D.; Jung, I. W.; Lopez, D.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Mukhopadhyay, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dmukhopadhyay@anl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8895-4 J9 PROC SPIE PY 2012 VL 8252 AR 82520W DI 10.1117/12.906746 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BZS19 UT WOS:000302688500028 ER PT J AU Mudalige, TK Gang, O Sherman, WB AF Mudalige, Thilak Kumara Gang, Oleg Sherman, William B. TI A zwitterion-DNA coating stabilizes nanoparticles against Mg2+ driven aggregation enabling attachment to DNA nanoassemblies SO NANOSCALE LA English DT Article ID GOLD NANOPARTICLES; NANOCOMPONENT ARRAYS; CELLULAR-AUTOMATA; MOLECULES; ORIGAMI; SURFACE; CONSTRUCTION; DESIGN; SHAPES; MOTIFS AB Plasmonics and photonics demand new methods for the controlled construction of nanoparticle (NP) arrays. Complex, low-symmetry configurations of DNA-functionalized NPs are obtained by connection to scaffolds of branched and folded DNA nanostructures. However, the stabilization of these branched structures by Mg2+ counterions also drives the uncontrolled aggregation of NPs. We demonstrate, using a two-dimensional DNA scaffold, that derivatizing gold nanoparticles (AuNPs) with zwitterionic ligands overcomes this problem. C1 [Mudalige, Thilak Kumara; Gang, Oleg; Sherman, William B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sherman, WB (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM wsherman@bnl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Thanks to Peter Sun and Aaron Stein for assistance with the SEM, L. Rouhana and J. Schlenoff for helpful advice, and Philip S. Lukeman for editorial assistance. Research carried out in whole 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 39 TC 2 Z9 3 U1 7 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2012 VL 4 IS 9 BP 2855 EP 2858 DI 10.1039/c2nr30479a PG 4 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 926BZ UT WOS:000302807600009 PM 22473590 ER PT J AU Gelain, F Cigognini, D Caprini, A Silva, D Colleoni, B Donega, M Antonini, S Cohen, BE Vescovi, A AF Gelain, F. Cigognini, D. Caprini, A. Silva, D. Colleoni, B. Donega, M. Antonini, S. Cohen, B. E. Vescovi, A. TI New bioactive motifs and their use in functionalized self-assembling peptides for NSC differentiation and neural tissue engineering SO NANOSCALE LA English DT Article ID SPINAL-CORD-INJURY; STEM-CELL; NANOFIBER SCAFFOLDS; PROGENITOR CELLS; CANCER-CELLS; HYDROGEL; RAT; MODEL; CNS AB Developing functionalized biomaterials for enhancing transplanted cell engraftment in vivo and stimulating the regeneration of injured tissues requires a multi-disciplinary approach customized for the tissue to be regenerated. In particular, nervous tissue engineering may take a great advantage from the discovery of novel functional motifs fostering transplanted stem cell engraftment and nervous fiber regeneration. Using phage display technology we have discovered new peptide sequences that bind to murine neural stem cell (NSC)-derived neural precursor cells (NPCs), and promote their viability and differentiation in vitro when linked to LDLK12 self-assembling peptide (SAPeptide). We characterized the newly functionalized LDLK12 SAPeptides via atomic force microscopy, circular dichroism and rheology, obtaining nanostructured hydrogels that support human and murine NSC proliferation and differentiation in vitro. One functionalized SAPeptide (Ac-FAQ), showing the highest stem cell viability and neural differentiation in vitro, was finally tested in acute contusive spinal cord injury in rats, where it fostered nervous tissue regrowth and improved locomotor recovery. Interestingly, animals treated with the non-functionalized LDLK12 had an axon sprouting/regeneration intermediate between Ac-FAQ-treated animals and controls. These results suggest that hydrogels functionalized with phage-derived peptides may constitute promising biomimetic scaffolds for in vitro NSC differentiation, as well as regenerative therapy of the injured nervous system. Moreover, this multi-disciplinary approach can be used to customize SAPeptides for other specific tissue engineering applications. C1 [Gelain, F.; Cigognini, D.; Caprini, A.; Silva, D.; Antonini, S.; Vescovi, A.] AO Osped Niguarda Ca Granda, Ctr Nanomed & Tissue Engn, I-20162 Milan, Italy. [Gelain, F.; Cigognini, D.; Caprini, A.; Silva, D.; Colleoni, B.; Donega, M.; Antonini, S.; Vescovi, A.] Univ Milano Bicocca, Biotechnol & Biosci Dept, I-20126 Milan, Italy. [Gelain, F.; Vescovi, A.] IRCCS Casa Sollievo Sofferenza Opera San Pio Piet, I-71013 San Giovanni Rotondo, Italy. [Cohen, B. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Gelain, F (reprint author), AO Osped Niguarda Ca Granda, Ctr Nanomed & Tissue Engn, I-20162 Milan, Italy. EM fabrizio.gelain@unimib.it RI Gelain, Fabrizio/K-5069-2012; OI Gelain, Fabrizio/0000-0002-2624-5853; Vescovi, Angelo Luigi/0000-0002-1742-4112 FU Fondazione Cariplo [2011-0352]; Regione Lombardia; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work has been mainly supported by Fondazione Cariplo, grant no. 2011-0352, and Regione Lombardia. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 44 TC 20 Z9 22 U1 3 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2012 VL 4 IS 9 BP 2946 EP 2957 DI 10.1039/c2nr30220a PG 12 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 926BZ UT WOS:000302807600025 PM 22476090 ER PT S AU Bernacki, BE Kelly, JF Sheen, DM McMakin, DL Tedeschi, JR Harris, RV Mendoza, A Hall, TE Hatchell, BK Valdez, PLJ AF Bernacki, B. E. Kelly, J. F. Sheen, D. M. McMakin, D. L. Tedeschi, J. R. Harris, R. V. Mendoza, A. Hall, T. E. Hatchell, B. K. Valdez, P. L. J. BE Nelson, RL Prather, DW Schuetz, C TI Passive fully polarimetric W-band millimeter-wave imaging SO RF AND MILLIMETER-WAVE PHOTONICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on RF and Millimeter-Wave Photonics II CY JAN 22, 2012 CL San Francisco, CA SP SPIE DE passive millimeter wave imaging; passive millimeter wave polarimetry; polarimetric multivariate image analysis AB We present the theory, design, and experimental results obtained from a scanning passive W-band fully polarimetric imager. Passive millimeter-wave imaging offers persistent day/nighttime imaging and the ability to penetrate dust, clouds and other obscurants, including clothing and dry soil. The single-pixel scanning imager includes both far-field and near-field fore-optics for investigation of polarization phenomena. Using both fore-optics, a variety of scenes including natural and man-made objects was imaged and these results are presented showing the utility of polarimetric imaging for anomaly detection. Analysis includes conventional Stokes-parameter based approaches as well as multivariate image analysis methods. C1 [Bernacki, B. E.; Kelly, J. F.; Sheen, D. M.; McMakin, D. L.; Tedeschi, J. R.; Harris, R. V.; Mendoza, A.; Hall, T. E.; Hatchell, B. K.; Valdez, P. L. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM bruce.bernacki@pnnl.gov NR 15 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-902-9 J9 PROC SPIE PY 2012 VL 8259 AR 82590F DI 10.1117/12.909756 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BZR30 UT WOS:000302549200013 ER PT S AU Sheen, DM Bernacki, BE McMakin, DL AF Sheen, David M. Bernacki, Bruce E. McMakin, Douglas L. BE Nelson, RL Prather, DW Schuetz, C TI Advanced millimeter-wave security portal imaging techniques SO RF AND MILLIMETER-WAVE PHOTONICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on RF and Millimeter-Wave Photonics II CY JAN 22, 2012 CL San Francisco, CA SP SPIE DE Millimeter waves; imaging; personnel surveillance; personnel screening; concealed-weapon detection ID CONCEALED WEAPON DETECTION; TERAHERTZ AB Millimeter-wave (mm-wave) imaging is rapidly gaining acceptance as a security tool to augment conventional metal detectors and baggage x-ray systems for passenger screening at airports and other secured facilities. This acceptance indicates that the technology has matured; however, many potential improvements can yet be realized. The authors have developed a number of techniques over the last several years including novel image reconstruction and display techniques, polarimetric imaging techniques, array switching schemes, and high-frequency high-bandwidth techniques. All of these may improve the performance of new systems; however, some of these techniques will increase the cost and complexity of the mm-wave security portal imaging systems. Reducing this cost may require the development of novel array designs. In particular, RF photonic methods may provide new solutions to the design and development of the sequentially switched linear mm-wave arrays that are the key element in the mm-wave portal imaging systems. High-frequency, high-bandwidth designs are difficult to achieve with conventional mm-wave electronic devices, and RF photonic devices may be a practical alternative. In this paper, the mm-wave imaging techniques developed at PNNL are reviewed and the potential for implementing RF photonic mm-wave array designs is explored. C1 [Sheen, David M.; Bernacki, Bruce E.; McMakin, Douglas L.] Battelle Mem Inst, Pacific NW Natl Lab, US Dept Energy, Richland, WA 99352 USA. RP Sheen, DM (reprint author), Battelle Mem Inst, Pacific NW Natl Lab, US Dept Energy, POB 999, Richland, WA 99352 USA. EM david.sheen@pnnl.gov NR 16 TC 0 Z9 0 U1 2 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-902-9 J9 PROC SPIE PY 2012 VL 8259 AR 82590G DI 10.1117/12.910515 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BZR30 UT WOS:000302549200014 ER PT S AU Haque, S Dion, F Frost, R Groulx, R Holland, SE Karcher, A Kolbe, WF Roe, NA Wang, G Yu, Y AF Haque, S. Dion, F. Frost, R. Groulx, R. Holland, S. E. Karcher, A. Kolbe, W. F. Roe, N. A. Wang, G. Yu, Y. BE Widenhorn, R Nguyen, V Dupret, A TI Design of Low-Noise Output Amplifiers for P-channel Charge-Coupled Devices Fabricated on High-Resistivity Silicon SO SENSORS, CAMERAS, AND SYSTEMS FOR INDUSTRIAL AND SCIENTIFIC APPLICATIONS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Sensors, Cameras, and Systems for Industrial and Scientific Applications XIII CY JAN 25-26, 2012 CL Burlingame, CA SP Soc Imaging Sci & Technol (IS&T), SPIE DE Charge-coupled device; buried contact; noise; source follower; high-resistivity silicon ID MOSFET; MODEL AB We describe the design and optimization of low-noise, single-stage output amplifiers for p-channel charge-coupled devices (CCDs) used for scientific applications in astronomy and other fields. The CCDs are fabricated on high-resistivity, 4000-5000 Omega-cm, n-type silicon substrates. Single-stage amplifiers with different output structure designs and technologies have been characterized. The standard output amplifier is designed with an n(+) polysilicon gate that has a metal connection to the sense node. In an effort to lower the output amplifier readout noise by minimizing the capacitance seen at the sense node, buried-contact technology has been investigated. In this case, the output transistor has a p(+) polysilicon gate that connects directly to the p(+) sense node. Output structures with buried-contact areas as small as 2 mu m x 2 mu m are characterized. In addition, the geometry of the source-follower transistor was varied, and we report test results on the conversion gain and noise of the various amplifier structures. By use of buried-contact technology, better amplifier geometry, optimization of the amplifier biases and improvements in the test electronics design, we obtain a 45% reduction in noise, corresponding to 1.7 e(-) rms at 70 kpixels/sec. C1 [Haque, S.; Holland, S. E.; Karcher, A.; Kolbe, W. F.; Roe, N. A.; Wang, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Haque, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SHaque@lbl.gov RI Holland, Stephen/H-7890-2013 NR 23 TC 3 Z9 3 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-945-6 J9 PROC SPIE PY 2012 VL 8298 AR 82980X DI 10.1117/12.905460 PG 12 WC Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA BZR23 UT WOS:000302533800031 ER PT S AU Kaehler, R Abel, T AF Kaehler, Ralf Abel, Tom BE Woods, AJ Holliman, NS Favalora, GE TI Interactive Stereoscopic Visualization of Large-Scale Astrophysical Simulations SO STEREOSCOPIC DISPLAYS AND APPLICATIONS XXIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Stereoscopic Displays and Applications XXIII (SD and A)/IS and T/SPIE Electronic Imaging - Science and Technology Symposium CY JAN 23-25, 2012 CL Burlingame, CA SP Soc Imaging Sci & Technol (IS&T), SPIE, IMAX, NVIDIA, Qualcomm, Technicolor, DepthQ Stereoscop, ELDIM, River Valley TV, 3Droundabout, Veritas Visus, Christie, Visitech 3D, Strong/MDI Screen Syst, Fakespace Labs, Sony, JVC Profess, Dimens 3 DE Scientific Visualization; Astrophysics; Stereoscopic Rendering; Direct Volume Rendering AB In the last decades three-dimensional, time-dependent numerical simulations have become a standard tool in astrophysics and cosmology. This gave rise to a growing demand for analysis methods that are tailored to this type of simulation data, for example high-quality visualization approaches such as direct volume rendering and the display of stream lines. The modelled phenomena in numerical astrophysics usually involve complex spatial and temporal structures, and stereoscopic display techniques have proven to be particularly beneficial to clarify the spatial relationships of the relevant features. In this paper we present a flexible software framework for interactive stereoscopic visualizations of large time-dependent, three-dimensional astrophysical and cosmological simulation datasets. It is designed to enable fast and intuitive creation of complete rendering workflows, from importing datasets, the definition of various parameters, including camera paths and stereoscopic settings, to the storage of the final images in various output formats. It leverages the power of modern graphics processing units (GPUs) and supports high-quality floating-point precision throughout the whole rendering pipeline. All functionality is scriptable through Javascript. We give several application examples, including sequences produced for a number of planetarium shows. C1 [Kaehler, Ralf; Abel, Tom] SLAC, KIPAC, Menlo Pk, CA USA. RP Kaehler, R (reprint author), SLAC, KIPAC, 2575 Sand Hill Rd, Menlo Pk, CA USA. EM kaehler@slac.stanford.edu; tabel@slac.stanford.edu NR 9 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8935-7 J9 PROC SPIE PY 2012 VL 8288 AR 82882O DI 10.1117/12.909258 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BZR38 UT WOS:000302558300091 ER PT J AU Kuvychko, IV Whitaker, JB Larson, BW Folsom, TC Shustova, NB Avdoshenko, SM Chen, YS Wen, H Wang, XB Dunsch, L Popov, AA Boltalina, OV Strauss, SH AF Kuvychko, Igor V. Whitaker, James B. Larson, Bryon W. Folsom, Travis C. Shustova, Natalia B. Avdoshenko, Stanislav M. Chen, Yu-Sheng Wen, Hui Wang, Xue-Bin Dunsch, Lothar Popov, Alexey A. Boltalina, Olga V. Strauss, Steven H. TI Substituent effects in a series of 1,7-C-60(R-F)(2) compounds (R-F = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated SO CHEMICAL SCIENCE LA English DT Article ID GLASS-TRANSITION TEMPERATURE; TRIFLUOROMETHYL DERIVATIVES; PERFLUOROALKYL IODIDES; STRUCTURE ELUCIDATION; MOLECULAR-STRUCTURES; RADICAL-ANIONS; X-RAY; FULLERENES; CONSTANTS; DFT AB A series of seven structurally-similar compounds with different pairs of R-F groups were prepared, characterized spectroscopically, and studied by electrochemical methods (cyclic and square-wave voltammetry), low-temperature anion photoelectron spectroscopy, and DFT calculations (five of the compounds are reported here for the first time). This is the first time that a set of seven R-F groups have been compared with respect to their relative effects on E-1/2(0/-), electron affinity (EA), and the DFT-calculated LUMO energy. The compounds, 1,7-C-60(R-F)(2) (R-F = CF3, C2F5, i-C3F7, n-C3F7, s-C4F9, n-C4F9 and n-C8F21), were found to have statistically different electron affinities (EA), at the +/- 10 meV level of uncertainty, but virtually identical first reduction potentials, at the +/- 10 mV level of uncertainty. The lack of a correlation between EA and E-1/2(0/-), and between E(LUMO) and E-1/2(0/-), for such similar compounds is unprecedented and suggests that explanations for differences in figures of merit for materials and/or devices that are based on equating easily measurable E-1/2(0/-) values with EAs or E(LUMO) values should be viewed with caution. The solubilities of the seven compounds in toluene varied by nearly a factor of six, but in an unpredictable way, with the C2F5 and s-C4F9 compounds being the most soluble and the i-C3F7 compound being the least soluble. The effects of the different R-F groups on EAs, E(LUMO) values, and solubilities should help fluorine chemists choose the right R-F group to design new materials with improved morphological, electronic, optical, and/or magnetic properties. C1 [Wen, Hui; Wang, Xue-Bin] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Boltalina, Olga V.; Strauss, Steven H.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Avdoshenko, Stanislav M.] Tech Univ Dresden, Inst Mat Sci, D-01062 Dresden, Germany. [Chen, Yu-Sheng] Univ Chicago, Adv Photon Source, ChemMatCARS Beam Line, Argonne, IL 60439 USA. [Wen, Hui; Wang, Xue-Bin] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Dunsch, Lothar; Popov, Alexey A.] Liebniz Inst Solid State & Mat Res, Dept Electrochem & Conducting Polymers, D-01069 Dresden, Germany. RP Wang, XB (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, MS K8-88,POB 999, Richland, WA 99352 USA. EM xuebin.wang@pnl.gov; l.dunsch@ifw-dresden.de; a.popov@ifw-dresden.de; olga.boltalina@colostate.edu; steven.strauss@colostate.edu RI Avdoshenko, Stanislav/G-2578-2010; Popov, Alexey/A-9937-2011; OI Avdoshenko, Stanislav/0000-0001-5839-3079; Popov, Alexey/0000-0002-7596-0378; Shustova, Natalia/0000-0003-3952-1949 FU U.S. NSF [CHE-0707223, CHE-1012468, CHE-0822838]; Colorado State University Research Foundation; U.S. Department of Energy (DOE), Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences; DOE's Office of Biological and Environmental Research at Pacific Northwest National Laboratory; PNNL; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; The AvH Foundation; The Erasmus Mundus Program External Co-operation [EM ECW-L04 TUD 08-11]; The Electrochemical Society FX We thank U.S. NSF (CHE-0707223, CHE-1012468), and the Colorado State University Research Foundation for generous support. The PES work was supported by the U.S. Department of Energy (DOE), Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences and was performed at the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. H. W. acknowledges a PNNL alternate sponsered fellowship. ChemMatCARS Sector 15 is principally supported by the U. S. NSF under grant number CHE-0822838. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The AvH Foundation is acknowledged for financial support to A. A. P., J. B. W. and O. V. B. The Erasmus Mundus Program External Co-operation (EM ECW-L04 TUD 08-11) is acknowledged for financial support to S. M. A.; J. B. W. thanks The Electrochemical Society for an F. M. Beckett Summer Fellowship. The Computational Center at Moscow State University is acknowledged for computer time on the "Chebyshev SKIF-MSU'' supercomputer. The authors also thank the Center for Information Services and High Performance Computing (ZIH) at TU Dresden for computer time on its clusters. We thank Prof. G. Cuniberti for support and encouragement. The technical assistance of U. Nitzsche with local computer resources at IFW Dresden is highly appreciated. Last, but not least, we thank D. J. Burton, W. R. Dolbier, J. A. Gladysz, V. Gouverneur, D. M. Lemal, D. O'Hagan, S. Prakash, K. Seppelt, J. S. Thrasher, and Y. L. Yagupolskii for helpful discussions. NR 54 TC 16 Z9 16 U1 1 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2012 VL 3 IS 5 BP 1399 EP 1407 DI 10.1039/c2sc01133f PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 919JA UT WOS:000302319000004 ER PT J AU Stavila, V Volponi, J Katzenmeyer, AM Dixon, MC Allendorf, MD AF Stavila, Vitalie Volponi, Joanne Katzenmeyer, Aaron M. Dixon, Matthew C. Allendorf, Mark D. TI Kinetics and mechanism of metal-organic framework thin film growth: systematic investigation of HKUST-1 deposition on QCM electrodes SO CHEMICAL SCIENCE LA English DT Article ID ATOMIC-FORCE MICROSCOPY; LIQUID-PHASE EPITAXY; SELF-ASSEMBLED MONOLAYERS; BY-STEP ROUTE; SURFACE-STRUCTURE; ORIENTED GROWTH; ALPHA-ALUMINA; CU-3(BTC)(2); ADSORPTION; RESOLUTION AB We describe a systematic investigation of the factors controlling step-by-step growth of the metalorganic framework (MOF) [Cu-3(btc)(2)(H2O)(3)]center dot xH(2)O (also known as HKUST-1), using quartz crystal microbalance (QCM) electrodes as an in situ probe of the reaction kinetics and mechanism. Electrodes coated with silica, alumina and gold functionalized with OH- and COOH-terminated self-assembled monolayers (SAMs) were employed to determine the effects of surface properties on nucleation. Deposition rates were measured using the high sensitivity available from QCM-D (D dissipation) techniques to determine rate constants in the early stage of the process. Films were characterized using grazing incidence XRD, SEM, AFM, profilometry and reflection-absorption IR spectroscopy. The effects of reaction time, concentration, temperature and substrate on the deposition rates, film crystallinity and surface morphology were evaluated. The initial growth step, in which the surface is exposed to copper ions (in the form of an ethanolic solution of copper(II) acetate) is fast and independent of temperature, after which all subsequent steps are thermally activated over the temperature range 22-62 degrees C. Using these data, we propose a kinetic model for the Cu-3(btc)(2) growth on surfaces that includes rate constants for the individual steps. The magnitude of the activation energies, in particular the large entropy decrease, suggests an associative reaction with a tight transition state. The measured activation energies for the step-by-step MOF growth are an order of magnitude lower than the value previously reported for bulk Cu-3(btc)(2) crystals. Finally, the results of this investigation demonstrate that the QCM method is a powerful tool for quantitative, in situ monitoring of MOF growth in real time. C1 [Stavila, Vitalie; Volponi, Joanne; Katzenmeyer, Aaron M.; Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA 94551 USA. [Dixon, Matthew C.] Biolin Sci Inc, Linthicum Hts, MD 21090 USA. RP Stavila, V (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM vnstavi@sandia.gov; mdallen@sandia.gov RI Stavila, Vitalie/B-6464-2008; Hu, Xiaojuan/C-4383-2014; Katzenmeyer, Aaron/F-7961-2014 OI Stavila, Vitalie/0000-0003-0981-0432; Katzenmeyer, Aaron/0000-0002-5755-8537 FU Sandia Laboratory; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Jeff Chames for his skilful technical assistance. We also would like to thank John J. Perry IV for help with the graphical representation of the proposed growth model and useful discussions. We gratefully acknowledge financial support from Sandia Laboratory Directed Research and Development Program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 56 TC 62 Z9 62 U1 19 U2 184 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2012 VL 3 IS 5 BP 1531 EP 1540 DI 10.1039/c2sc20065a PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 919JA UT WOS:000302319000023 ER PT J AU Bataineh, H Pestovsky, O Bakac, A AF Bataineh, Hajem Pestovsky, Oleg Bakac, Andreja TI pH-induced mechanistic changeover from hydroxyl radicals to iron(IV) in the Fenton reaction SO CHEMICAL SCIENCE LA English DT Article ID ZERO-VALENT IRON; REAGENT GENERATION; AS(III) OXIDATION; AERATED WATER; HYDROGEN-PEROXIDE; AQUEOUS-SOLUTION; ZEROVALENT IRON; SOLVENT WATER; ATOM TRANSFER; FERRYL ION AB A major pathway in the reaction between Fe(II) and H2O2 at pH 6-7 in non-coordinating buffers exhibits inverse kinetic dependence on [H+] and leads to oxidation of dimethyl sulfoxide (DMSO) to dimethyl sulfone (DMSO2). This step regenerates Fe(II) and makes the oxidation of DMSO catalytic, a finding that strongly supports Fe(IV) as a Fenton intermediate at near-neutral pH. This Fe(IV) is a less efficient oxidant for DMSO at pH 6-7 than is (H2O)(5)FeO2+, generated by ozone oxidation of Fe(H2O)(6)(2+), in acidic solutions. Large concentrations of DMSO are needed to achieve significant turnover numbers at pH >= 6 owing to the rapid competing reaction between Fe(II) and Fe(IV) that leads to irreversible loss of the catalyst. At pH 6 and <= 0.02 mM Fe(II), the ratio of apparent rate constants for the reactions of Fe(IV) with DMSO and with Fe(II) is similar to 10(4). The results at pH 6-7 stand in stark contrast with those reported previously in acidic solutions where the Fenton reaction generates hydroxyl radicals. Under those conditions, DMSO is oxidized stoichiometrically to methylsulfinic acid and ethane. This path still plays a role (1-10%) at pH 6-7. C1 [Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Pestovsky, O (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM pvp@ameslab.gov; akac@ameslab.gov FU U.S. Department of Energy [DE-AC02-07CH11358] FX This manuscript has been authored under Contract No. DE-AC02-07CH11358 with the U.S. Department of Energy. NR 52 TC 53 Z9 53 U1 10 U2 95 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2012 VL 3 IS 5 BP 1594 EP 1599 DI 10.1039/c2sc20099f PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 919JA UT WOS:000302319000031 ER PT J AU Bajwa, SE Storr, TE Hatcher, LE Williams, TJ Baumann, CG Whitwood, AC Allan, DR Teat, SJ Raithby, PR Fairlamb, IJS AF Bajwa, Somia E. Storr, Thomas E. Hatcher, Lauren E. Williams, Thomas J. Baumann, Christoph G. Whitwood, Adrian C. Allan, David R. Teat, Simon J. Raithby, Paul R. Fairlamb, Ian J. S. TI On the appearance of nitrite anion in [PdX(OAc)L-2] and [Pd(X)(C boolean AND N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(eta(1)-ONO)(C boolean AND N)PPh3 SO CHEMICAL SCIENCE LA English DT Article ID CROSS-COUPLING REACTIONS; DIRECT ARYLATION; REACTIVITY; CATALYSTS; HALIDE; NUCLEOSIDES; COMPLEXES; PALLADIUM; NITRATE; DESIGN AB Pd-3(OAc)(5)NO2, an impurity in "Pd(OAc)(2)" {formally Pd-3(OAc)(6)}, emerges as a serious issue in the synthesis of pure Pd-II complexes derived from Pd(OAc)(2), for example in our C-H activation precatalyst, Pd(OAc)(2)(pip)(2) (pip piperidine). A previous proposal that nitrite anion can be formed by oxidation of CH3CN by metallic Pd and air, leading to cyclo(ortho)palladated complexes containing nitrite anion, e.g. Pd(NO2)(C boolean AND N) L (C boolean AND N = papaverine; L = CH3CN or DMSO) can be explained by Pd-3(OAc)(5)NO2 acting as the nitrite source. Finally, photocrystallographic metastable linkage isomerisation and complete conversion to an oxygen-bound nitrito complex Pd(eta(1)-ONO)(C boolean AND N)PPh3 has been observed. C1 [Hatcher, Lauren E.; Raithby, Paul R.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. [Bajwa, Somia E.; Storr, Thomas E.; Williams, Thomas J.; Whitwood, Adrian C.; Fairlamb, Ian J. S.] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England. [Storr, Thomas E.; Baumann, Christoph G.] Univ York, Dept Biol, York YO10 5DD, N Yorkshire, England. [Allan, David R.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Raithby, PR (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. EM p.r.raithby@bath.ac.uk; ian.fairlamb@york.ac.uk RI Williams, Thomas/E-8078-2011; Raithby, Paul/N-7997-2014 OI Williams, Thomas/0000-0002-9319-1701; Raithby, Paul/0000-0002-2944-0662 FU Royal Society; EPSRC; Diamond Light Source Ltd; Advanced Light Source; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Professor Melanie Sanford (University of Michigan, USA) and Dr. Christopher Richards (UEA, UK) are thanked for discussions. We gratefully acknowledge Dr. Tony Wild for his financial support of a PhD studentship (to S. E. B.). The Royal Society and EPSRC (T. E. S. and T. J. W. PhD studentships) are acknowledged for funding. We also thank Diamond Light Source Ltd and the Advanced Light Source for the award of beamtime. 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. P. R. R. is also grateful to the EPSRC for the award of a Senior Fellowship. NR 29 TC 24 Z9 24 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2012 VL 3 IS 5 BP 1656 EP 1661 DI 10.1039/c2sc01050j PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 919JA UT WOS:000302319000041 ER PT S AU Anderson, HS Gupta, MR Hardeberg, J AF Anderson, Hyrum S. Gupta, Maya R. Hardeberg, Jon BE Bouman, CA Pollak, I Wolfe, PJ TI Subjective evaluations of example-based, total variation, and joint regularization for image processing SO COMPUTATIONAL IMAGING X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Computational Imaging X CY JAN 23-24, 2012 CL Burlingame, CA SP Soc Imaging Sci & Technol (IS&T), SPIE DE subjective evaluation; deblurring; image quality metrics ID SUPERRESOLUTION; MINIMIZATION; INFORMATION; ALGORITHM; QUALITY AB We report on subjective experiments comparing example-based regularization, total variation regularization, and the joint use of both regularizers. We focus on the noisy deblurring problem, which generalizes image superresolution and denoising. Controlled subjective experiments suggest that joint example-based regularization and total variation regularization can provide subjective gains over total regularization alone, particularly when the example images contain similar structural elements as the test image. We also investigate whether the regularization parameters can be trained by cross-validation, and we compare the reconstructions using crossvalidation judgments made by humans or by fully automatic image quality metrics. Experiments showed that of five image quality metrics tested, the structural similarity index (SSIM) correlates best with human judgement of image quality, and can be profitably used to cross-validate regularization parameters. However, there is a significant quality gap between images restored using human or automatic parameter cross-validation. C1 [Anderson, Hyrum S.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Anderson, HS (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM hander@sandia.gov NR 27 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-943-2 J9 PROC SPIE PY 2012 VL 8296 AR 82960S DI 10.1117/12.917710 PG 14 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Computer Science; Engineering; Optics; Imaging Science & Photographic Technology GA BZR22 UT WOS:000302533300016 ER PT S AU Santos-Villalobos, HJ Bingham, PR AF Santos-Villalobos, Hector J. Bingham, Philip R. BE Bouman, CA Pollak, I Wolfe, PJ TI Non-Uniform Contrast and Noise Correction for Coded Source Neutron Imaging SO COMPUTATIONAL IMAGING X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Computational Imaging X CY JAN 23-24, 2012 CL Burlingame, CA SP Soc Imaging Sci & Technol (IS&T), SPIE DE Neutron Imaging; Coded Source Imaging; Coded Apertures; Reconstruction Algorithms ID UNIFORMLY REDUNDANT ARRAYS; RECONSTRUCTION METHODS; MAXIMUM-LIKELIHOOD; BINARY ARRAYS; CAMERAS AB Since the first application of neutron radiography in the 1930s, the field of neutron radiography has matured enough to develop several applications. However, advances in the technology are far from concluded. In general, the resolution of scintillator-based detection systems is limited to the 10 mu m range, and the relatively low neutron count rate of neutron sources compared to other illumination sources restricts time resolved measurement. One path toward improved resolution is the use of magnification; however, to date neutron optics are inefficient, expensive, and difficult to develop. There is a clear demand for cost-effective scintillator-based neutron imaging systems that achieve resolutions of 1 mu m or less. Such imaging system would dramatically extend the application of neutron imaging. For such purposes a coded source imaging system is under development. The current challenge is to reduce artifacts in the reconstructed coded source images. Artifacts are generated by non-uniform illumination of the source, gamma rays, dark current at the imaging sensor, and system noise from the reconstruction kernel. In this paper, we describe how to pre-process the coded signal to reduce noise and non-uniform illumination, and how to reconstruct the coded signal with three reconstruction methods correlation, maximum likelihood estimation, and algebraic reconstruction technique. We illustrates our results with experimental examples. C1 [Santos-Villalobos, Hector J.; Bingham, Philip R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Santos-Villalobos, HJ (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM hsantos@ornl.gov; bing-hampr@ornl.gov NR 22 TC 0 Z9 0 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-943-2 J9 PROC SPIE PY 2012 VL 8296 AR 82960P DI 10.1117/12.913150 PG 12 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Computer Science; Engineering; Optics; Imaging Science & Photographic Technology GA BZR22 UT WOS:000302533300014 ER PT J AU Weiss, CJ Groves, AN Mock, MT Dougherty, WG Kassel, WS Helm, ML DuBois, DL Bullock, RM AF Weiss, Charles J. Groves, Amy N. Mock, Michael T. Dougherty, William G. Kassel, W. Scott Helm, Monte L. DuBois, Daniel L. Bullock, R. Morris TI Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines SO DALTON TRANSACTIONS LA English DT Article ID DINITROGEN COMPLEXES; CATALYTIC-REDUCTION; DIAZENIDO-COMPLEXES; NITROGEN-FIXATION; CRYSTAL-STRUCTURE; AMMONIA; LIGANDS; CHEMISTRY; MECHANISM; ELECTROCHEMISTRY AB Molybdenum and tungsten bis(dinitrogen) complexes of the formula M(N-2)(2)(PNP)(2) (M = Mo and W) and W(N-2)(2)(dppe)(PNP), supported by diphosphine ligands containing a pendant amine of the formula (CH2PR2)(2)NR' = (PNPR)-N-R-P-R' (R = Et, Ph; R' = Me, Bn), have been prepared by Mg reduction of metal halides under an N-2 atmosphere. The complexes have been characterized by NMR and IR spectroscopy, X-ray crystallography, and cyclic voltammetry. Reactivity of the target Mo and W bis(dinitrogen) compounds with CO results in the formation of dicarbonyl complexes. C1 [Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Helm, Monte L.; DuBois, Daniel L.; Bullock, R. Morris] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Richland, WA 99352 USA. [Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA. [Helm, Monte L.] Ft Lewis Coll, Dept Chem, Durango, CO 81301 USA. RP Mock, MT (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, POB 999, Richland, WA 99352 USA. EM michael.mock@pnnl.gov; morris.bullock@pnnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [FWP 56073] FX This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under FWP 56073. Pacific Northwest National Laboratory is operated by Battelle for DOE. NR 52 TC 18 Z9 18 U1 1 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2012 VL 41 IS 15 BP 4517 EP 4529 DI 10.1039/c2dt12224c PG 13 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 914NA UT WOS:000301955900030 PM 22344347 ER PT J AU Jansson, JK Neufeld, JD Moran, MA Gilbert, JA AF Jansson, Janet K. Neufeld, Josh D. Moran, Mary Ann Gilbert, Jack A. TI Omics for understanding microbial functional dynamics SO ENVIRONMENTAL MICROBIOLOGY LA English DT Letter ID METAPROTEOMICS; TRANSCRIPTOME; DISEASE; OCEAN; DNA C1 [Jansson, Janet K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Neufeld, Josh D.] Univ Waterloo, Dept Biol, Waterloo, ON N2L 3G1, Canada. [Moran, Mary Ann] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. [Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. RP Jansson, JK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM jrjansson@lbl.gov OI Moran, Mary Ann/0000-0002-0702-8167 NR 14 TC 24 Z9 24 U1 6 U2 49 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD JAN PY 2012 VL 14 IS 1 SI SI BP 1 EP 3 DI 10.1111/j.1462-2920.2011.02518.x PG 3 WC Microbiology SC Microbiology GA 922HV UT WOS:000302538900001 PM 21651688 ER PT J AU Hodkinson, BP Gottel, NR Schadt, CW Lutzoni, F AF Hodkinson, Brendan P. Gottel, Neil R. Schadt, Christopher W. Lutzoni, Francois TI Photoautotrophic symbiont and geography are major factors affecting highly structured and diverse bacterial communities in the lichen microbiome SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ACCELERATED EVOLUTION; PHYLOGENETIC ANALYSES; SEQUENCES; FUNGI; GENE; REVEALS; ABILITY AB Although common knowledge dictates that the lichen thallus is formed solely by a fungus (mycobiont) that develops a symbiotic relationship with an alga and/or cyanobacterium (photobiont), the non-photoautotrophic bacteria found in lichen microbiomes are increasingly regarded as integral components of lichen thalli. For this study, comparative analyses were conducted on lichen-associated bacterial communities to test for effects of photobionttypes (i.e. green algal vs. cyanobacterial), mycobionttypes and large-scale spatial distances (from tropical to arctic latitudes). Amplicons of the 16S (SSU) rRNA gene were examined using both Sanger sequencing of cloned fragments and barcoded pyrosequencing. Rhizobiales is typically the most abundant and taxonomically diverse order in lichen microbiomes; however, overall bacterial diversity in lichens is shown to be much higher than previously reported. Members of Acidobacteriaceae, Acetobacteraceae, Brucellaceae and sequence group LAR1 are the most commonly found groups across the phylogenetically and geographically broad array of lichens examined here. Major bacterial community trends are significantly correlated with differences in large-scale geography, photobiont-type and mycobiont-type. The lichen as a microcosm represents a structured, unique microbial habitat with greater ecological complexity and bacterial diversity than previously appreciated and can serve as a model system for studying larger ecological and evolutionary principles. C1 [Hodkinson, Brendan P.] New York Bot Garden, Int Plant Sci Ctr, Bronx, NY 10458 USA. [Gottel, Neil R.; Schadt, Christopher W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Schadt, Christopher W.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37796 USA. [Lutzoni, Francois] Duke Univ, Dept Biol, Durham, NC 27708 USA. RP Hodkinson, BP (reprint author), New York Bot Garden, Int Plant Sci Ctr, Bronx, NY 10458 USA. EM brendan.hodkinson@gmail.com RI Schadt, Christopher/B-7143-2008 OI Schadt, Christopher/0000-0001-8759-2448 FU National Science Foundation [DEB-1011504, DEB-0640956]; James B. Duke Fellowship for Graduate Study; Keever Endowment; Duke Graduate International Research Travel Award; Explorers Club Diversa Awards; Christiane and Christopher Tyson OTS Research Fellowship; Lewis and Clark Fund for Exploration; Field Research Grant; Duke Chapter of Sigma Xi; Mycological Society of America FX We would like to thank Lisa Bukovnik for technical assistance with DNA sequencing, Rytas Vilgalys, Jonathan Olson, Amy Schmid, Bill Morris and Betsy Arnold for valuable guidance, and Bernie Ball, Ester Gaya, Jolanta Miadlikowska, Kathryn Picard, Tami McDonald, Daniele Armaleo, Terri Porter, Greg Bonito, Jason Jackson, Anthony Amend, Alexis Stamatakis, Tom Gihring, Scott Bates, Greg Wray, Jana U'Ren, Kacper Skakuj and Molly McMullen, all of whom have provided important research assistance. Sarah Hodkinson is thanked for support, field assistance and resource retrieval. This work was supported in part by a Doctoral Dissertation Improvement Grant (DEB-1011504) from the National Science Foundation, a James B. Duke Fellowship for Graduate Study, Duke Biology Grants-in-Aid from the Keever Endowment, a Duke Graduate International Research Travel Award, Explorers Club Diversa Awards, a Christiane and Christopher Tyson OTS Research Fellowship, a Lewis and Clark Fund for Exploration and Field Research Grant, a Sally Hughes-Schrader Travel Grant from the Duke Chapter of Sigma Xi, a Sigma Xi Grant-In-Aid of Research, and a Mycological Society of America Graduate Fellowship to BPH. Travel to Alaska was financed in part by a National Science Foundation award (DEB-0640956) to FL. This project was also funded in part by a subcontract (112442) to Daniele Armaleo, Fred Dietrich and FL as part of the Pacific Northwest National Laboratory (PNNL) foundational scientific focus area (FSFA) under DOE-BER's genomic sciences program in collaboration with Scott Baker and Jon Magnuson. The participation of CWS and NG was similarly supported by the DOE-BER scientific focus area on Plant-Microbe Interfaces (http://pmi.ornl.gov) at Oak Ridge National Laboratory (ORNL). This work would not have been possible without the Duke Shared Cluster Resource (DSCR) and outstanding services provided by John Pormann and Tom Milledge. NR 57 TC 51 Z9 54 U1 2 U2 44 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD JAN PY 2012 VL 14 IS 1 SI SI BP 147 EP 161 DI 10.1111/j.1462-2920.2011.02560.x PG 15 WC Microbiology SC Microbiology GA 922HV UT WOS:000302538900013 PM 21906220 ER PT J AU Miller, MEB Yeoman, CJ Chia, N Tringe, SG Angly, FE Edwards, RA Flint, HJ Lamed, R Bayer, EA White, BA AF Miller, Margret E. Berg Yeoman, Carl J. Chia, Nicholas Tringe, Susannah G. Angly, Florent E. Edwards, Robert A. Flint, Harry J. Lamed, Raphael Bayer, Edward A. White, Bryan A. TI Phage-bacteria relationships and CRISPR elements revealed by a metagenomic survey of the rumen microbiome SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID HORIZONTAL GENE-TRANSFER; GENOME SEQUENCE; ANTIBIOTIC-RESISTANCE; PHOTOSYNTHESIS GENES; GEL-ELECTROPHORESIS; VIRAL COMMUNITIES; RAST SERVER; DIVERSITY; VIRUSES; ECOLOGY AB Viruses are the most abundant biological entities on the planet and play an important role in balancing microbes within an ecosystem and facilitating horizontal gene transfer. Although bacteriophages are abundant in rumen environments, little is known about the types of viruses present or their interaction with the rumen microbiome. We undertook random pyrosequencing of virus-enriched metagenomes (viromes) isolated from bovine rumen fluid and analysed the resulting data using comparative metagenomics. A high level of diversity was observed with up to 28 000 different viral genotypes obtained from each environment. The majority (similar to 78%) of sequences did not match any previously described virus. Prophages outnumbered lytic phages approximately 2: 1 with the most abundant bacteriophage and prophage types being associated with members of the dominant rumen phyla (Firmicutes and Proteobacteria). Metabolic profiling based on SEED subsystems revealed an enrichment of sequences with putative functional roles in DNA and protein metabolism, but a surprisingly low proportion of sequences assigned to carbohydrate and amino acid metabolism. We expanded our analysis to include previously described metagenomic data and 14 reference genomes. Clustered regularly interspaced short palindromic repeats (CRISPR) were detected in most of the microbial genomes, suggesting previous interactions between viral and microbial communities. C1 [Miller, Margret E. Berg; Yeoman, Carl J.; Chia, Nicholas;