FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Fridlind, AM Ackerman, AS Jensen, EJ Heymsfield, AJ Poellot, MR Stevens, DE Wang, DH Miloshevich, LM Baumgardner, D Lawson, RP Wilson, JC Flagan, RC Seinfeld, JH Jonsson, HH VanReken, TM Varutbangkul, V Rissman, TA AF Fridlind, AM Ackerman, AS Jensen, EJ Heymsfield, AJ Poellot, MR Stevens, DE Wang, DH Miloshevich, LM Baumgardner, D Lawson, RP Wilson, JC Flagan, RC Seinfeld, JH Jonsson, HH VanReken, TM Varutbangkul, V Rissman, TA TI Evidence for the predominance of mid-tropospheric aerosols as subtropical anvil cloud nuclei SO SCIENCE LA English DT Article ID TROPICAL CUMULONIMBUS; CIRRUS CLOUDS; MODEL; SIZE; MICROPHYSICS; CONVECTION; POLLUTION; EVOLUTION; CLIMATE; RAIN AB NASA's recent Cirrus Regional Study of Tropical Anvils and Cirrus Layers-Florida Area Cirrus Experiment focused on anvil cirrus clouds, an important but poorly understood element of our climate system. The data obtained included the first comprehensive measurements of aerosols and cloud particles throughout the atmospheric column during the evolution of multiple deep convective storm systems. Coupling these new measurements with detailed cloud simulations that resolve the size distributions of aerosols and cloud particles, we found several lines of evidence indicating that most anvil crystals form on mid-tropospheric rather than boundary-layer aerosols. This result defies conventional wisdom and suggests that distant pollution sources may have a greater effect on anvil clouds than do local sources. C1 NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Univ N Dakota, Dept Atmospher Sci, Grand Forks, ND 58202 USA. Lawrence Livermore Natl Lab, Livermore, CA 94552 USA. Hampton Univ, Ctr Atmospher Sci, Hampton, VA 23681 USA. NASA, Langley Res Ctr, Hampton, VA 23681 USA. Univ Nacl Autonoma Mexico, Ctr Ciencias Atmosfera, Mexico City 04510, DF, Mexico. Stratton Pk Engn Co Inc, Boulder, CO 80301 USA. Univ Denver, Dept Engn, Denver, CO 80208 USA. CALTECH, Dept Chem & Chem Engn, Pasadena, CA 91125 USA. Ctr Interdisciplinary Remotely Piloted Aircraft S, Marina, CA 93933 USA. RP Fridlind, AM (reprint author), NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. EM ann.fridlind@nasa.gov RI Heymsfield, Andrew/E-7340-2011; Ackerman, Andrew/D-4433-2012; Fridlind, Ann/E-1495-2012 OI Ackerman, Andrew/0000-0003-0254-6253; NR 34 TC 72 Z9 78 U1 3 U2 9 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 30 PY 2004 VL 304 IS 5671 BP 718 EP 722 DI 10.1126/science.1094947 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 816JD UT WOS:000221105300040 PM 15118158 ER PT J AU Matveeva, OV Foley, BT Nemtsov, VA Gesteland, RF Matsufuji, S Atkins, JF Ogurtsov, AY Shabalina, SA AF Matveeva, OV Foley, BT Nemtsov, VA Gesteland, RF Matsufuji, S Atkins, JF Ogurtsov, AY Shabalina, SA TI Identification of regions in multiple sequence alignments thermodynamically suitable for targeting by consensus oligonucleotides: application to HIV genome SO BMC BIOINFORMATICS LA English DT Article ID DNA SIGNAL AMPLIFICATION; GENE FAMILY; DESIGN; PROBES; PRIMERS; RNA; HYBRIDIZATION; MICROCOMPUTER; PACKAGE; PROGRAM AB Background: Computer programs for the generation of multiple sequence alignments such as "Clustal W" allow detection of regions that are most conserved among many sequence variants. However, even for regions that are equally conserved, their potential utility as hybridization targets varies. Mismatches in sequence variants are more disruptive in some duplexes than in others. Additionally, the propensity for self-interactions amongst oligonucleotides targeting conserved regions differs and the structure of target regions themselves can also influence hybridization efficiency. There is a need to develop software that will employ thermodynamic selection criteria for finding optimal hybridization targets in related sequences. Results: A new scheme and new software for optimal detection of oligonucleotide hybridization targets common to families of aligned sequences is suggested and applied to aligned sequence variants of the complete HIV-1 genome. The scheme employs sequential filtering procedures with experimentally determined thermodynamic cut off points: 1) creation of a consensus sequence of RNA or DNA from aligned sequence variants with specification of the lengths of fragments to be used as oligonucleotide targets in the analyses; 2) selection of DNA oligonucleotides that have pairing potential, greater than a defined threshold, with all variants of aligned RNA sequences; 3) elimination of DNA oligonucleotides that have self-pairing potentials for intra- and inter-molecular interactions greater than defined thresholds. This scheme has been applied to the HIV-1 genome with experimentally determined thermodynamic cut off points. Theoretically optimal RNA target regions for consensus oligonucleotides were found. They can be further used for improvement of oligo-probe based HIV detection techniques. Conclusions: A selection scheme with thermodynamic thresholds and software is presented in this study. The package can be used for any purpose where there is a need to design optimal consensus oligonucleotides capable of interacting efficiently with hybridization targets common to families of aligned RNA or DNA sequences. Our thermodynamic approach can be helpful in designing consensus oligonucleotides with consistently high affinity to target variants in evolutionary related genes or genomes. C1 NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20814 USA. Univ Utah, Dept Human Genet, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. MGGT, Moscow 125502, Russia. Jikei Univ, Sch Med, Dept Biochem 2, Minato Ku, Tokyo 1058461, Japan. Natl Univ Ireland Univ Coll Cork, Biosci Inst, Cork, Ireland. RP Shabalina, SA (reprint author), NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20814 USA. EM olgam@howard.genetics.utah.edu; btf@atlas.lanl.gov; vovanem@online.ru; ray.gesteland@genetics.utah.edu; senya@jikei.ac.jp; john.atkins@genetics.utah.edu; ogurtsov@ncbi.nlm.nih.gov; shabalin@ncbi.nlm.nih.gov RI Shabalina, Svetlana/N-8939-2013 OI Shabalina, Svetlana/0000-0003-2272-7473 FU NIGMS NIH HHS [GM48152, R01 GM048152] NR 22 TC 2 Z9 4 U1 0 U2 1 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD APR 29 PY 2004 VL 5 AR 44 DI 10.1186/1471-2105-5-44 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 831VX UT WOS:000222225700001 PM 15115544 ER PT J AU Banisaukas, J Szczepanski, J Vala, M Hirata, S AF Banisaukas, J Szczepanski, J Vala, M Hirata, S TI Vibrational and electronic absorption spectroscopy of 2,3-benzofluorene and its cation SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; DENSITY-FUNCTIONAL THEORY; MICRON EMISSION FEATURES; EXCHANGE-CORRELATION POTENTIALS; MATRIX-ISOLATED NAPHTHALENE; INFRARED-SPECTROSCOPY; EXCITATION-ENERGIES; FLUORENE CATION; SPECTRA; BANDS AB Benzofluorene (C17H12) has been studied in argon matrices via Fourier transform infrared and UV-visible absorption spectroscopy. The analysis of the infrared absorption spectra of neutral and cationic 2,3benzofluorene was Supported by density functional theory (DFT) B3LYP/6-311+G** calculations of the harmonic-rnode frequencies. Extensive time-dependent DFT calculations of the electronic vertical excitation energies with BLYP/6-31++G** and B3LYP/6-31++G** functionals/basis sets and the Casida-Salahub asymptotic correction were performed to assign the observed electronic absorption bands of the neutral species. Although the observed low-energy absorption bands are predicted well by theory, the higher-energy bands (S-n <-- So transitions, n greater than or equal to 4) have been assigned only tentatively. However, the observed electronic absorption bands for the parent, singly dehydrogenated cationic and neutral species are in accord with TDDFT (BLYP/6-31G**) results. The possibility that the 2,3-benzofluorene cation contributes to the unidentified infrared (UIR) bands observed from interstellar space is discussed briefly. C1 Univ Florida, Dept Chem, Gainesville, FL 32611 USA. Univ Florida, Ctr Chem Phys, Gainesville, FL 32611 USA. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Vala, M (reprint author), Univ Florida, Dept Chem, Gainesville, FL 32611 USA. EM mvala@chem.ufl.edu NR 46 TC 17 Z9 17 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 29 PY 2004 VL 108 IS 17 BP 3713 EP 3722 DI 10.1021/jp031163n PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 814TN UT WOS:000220997100003 ER PT J AU Nizamov, B Leone, SR AF Nizamov, B Leone, SR TI Rate coefficients and kinetic isotope effect for the C2H reactions with NH3 and ND3 in the 104-294 K temperature range SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID LAVAL NOZZLE APPARATUS; JUPITER; PHOTOCHEMISTRY; DISTRIBUTIONS; HYDROCARBONS; CHEMISTRY; ACETYLENE; RADICALS; ETHANE; HCN AB Reactions of C2H with NH3 and ND3 are studied at low temperature using a pulsed Laval nozzle apparatus. The C2H radical is prepared by 193 nm photolysis of acetylene, and the C2H concentration is monitored using CH(A(2)Delta) chemiluminescence from the C2H + O-2 reaction. The rate constants for the C2H + NH3 and C2H + ND3 reactions are measured at three temperatures, 104 5 K, 165 15 K, and 296 2 K. Measured rate constants are fit to power law expressions, k(T) = A(T/298)(n). for ease of comparison with the results for the related CN + NH3 reaction and to emphasize the importance of the attractive part of intermolecular interaction potential in the reaction mechanism. The rate constants are (2.9 +/- 0.7) x 10(-11) x (T/298 K)((-0.90 +/- 0.15)) cm(3) molecule(-1) s(-1) and (1.1 +/- 0.2) x 10(-11) x (T/298 K)((-0.82 +/- 0.026)) cm(3) molecule(-1) s(-1) for NH3 and ND3, respectively. A large kinetic isotope effect is observed, k(C2H + NH3)/k(C2H + ND3) = 2.0 +/- 0.2, which within experimental uncertainty does not depend on the temperature in the 104-296 K range. Previous theoretical work shows that a hydrogen abstraction channel, C2H + NH3 --> C2H2 + NH2, is a possible mechanism for the C2H + NH3 reaction since the minimum energy path for this channel does not have an activation barrier. This theoretical prediction is consistent with the strong negative temperature dependence of the rate coefficients for the CH + NH3 reaction observed in this work, which clearly shows that the C2H + NH3 reaction does not have a barrier. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@cchem.berkeley.edu NR 24 TC 21 Z9 21 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 29 PY 2004 VL 108 IS 17 BP 3766 EP 3771 DI 10.1021/jp031361e PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 814TN UT WOS:000220997100010 ER PT J AU Malko, AV Mikhailovsky, AA Petruska, MA Hollingsworth, JA Klimov, VI AF Malko, AV Mikhailovsky, AA Petruska, MA Hollingsworth, JA Klimov, VI TI Interplay between optical gain and photoinduced absorption in CdSe nanocrystals SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ULTRAFAST CARRIER DYNAMICS; SEMICONDUCTOR QUANTUM DOTS; STIMULATED-EMISSION; TRANSITIONS; CONFINEMENT; DEPENDENCE; THRESHOLD; EXCITON; LASERS AB A potential complication associated with the realization of the optical-gain regime in semiconductor nanocrystals (NCs) arises from the competing phenomenon of excited-state absorption. Here, we apply an ultrafast transient absorption technique to study the competition between optical gain and excited-state (photoinduced) absorption in CdSe NCs as a function of NC size, surface passivation, and solvent/matrix identity. We observe that for NCs prepared in such a commonly used solvent as hexane, the contribution from photoinduced absorption rapidly increases with decreasing NC radius, and it completely suppresses optical gain in NCs of small sizes. Further, the magnitude of photoinduced absorption is sensitive both to the type and the quality of surface passivation, as well as to the identity of the solvent/matrix material. These observations, along with a strong size dependence, indicate that photoinduced absorption interfering with optical gain is not intrinsic to CdSe NCs but, instead, results from the involvement of NC interface states/processes. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, MS-J567, Los Alamos, NM 87545 USA. EM klimov@lanl.gov NR 32 TC 65 Z9 65 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 29 PY 2004 VL 108 IS 17 BP 5250 EP 5255 DI 10.1021/jp037699q PG 6 WC Chemistry, Physical SC Chemistry GA 814TP UT WOS:000220997300021 ER PT J AU Blizanac, BB Lucas, CA Gallagher, ME Ross, PN Markovic, NM AF Blizanac, BB Lucas, CA Gallagher, ME Ross, PN Markovic, NM TI Surface structures and phase transitions at the Au(100)-Br interface: pH and CO effects SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; X-RAY-SCATTERING; BROMIDE ADSORPTION; ELECTROSORPTION VALENCY; AU(001) RECONSTRUCTION; CARBON-MONOXIDE; ELECTRODE; DIFFRACTION; CHLORIDE; ADLAYERS AB The surface reconstruction of Au(100) and the formation of an ordered commensurate c(root2 x 22root2)R45degrees adlayer of Br (Br-ad) have been studied by a combination of electrochemical (EC) and surface X-ray scattering (SXS) measurements. Emphasis is placed on linking the microscopic structural information concerning the Br-ad adlayer to the voltammetric and other macroscopic electrochemical responses, including using the rotating ring disk electrode (RRDE) measurements for determining the surface coverage by Br-ad. It is found that the potential-induced hexagonal ("hex") to (1 x 1) transition of the An surface coincides with Br- adsorption and occurs faster in solutions containing Br- anions than in Br- free Solutions. In agreement with previous SXS results, in acid solutions, Br-ad forms a c(root2 x 2root2)R45degrees structure at around 0.15 V. However, no ordered structures of Br-ad are observed in alkaline solution, although the cyclic voltammetry indicates that the order structure should be present at 0.12 V. Absence of an ordered Br-ad adlayer in alkaline solution is attributed to competitive adsorption between Br-ad and OHad. To probe the role of OHad on the ordering of the bromide adlayer, coadsorbed OHad is consumed in an electrochemical reaction in which strongly adsorbed OHad is removed from the surface by a relatively weakly adsorbed reactant, viz. COad. Under such experimental conditions, we found that (i) in acid solution the c(root2 x 2root2)R45degrees structure develops/disappears more rapidly than in CO-free solution and (ii) in alkaline solution the c(root2 x 2root/2)R45degrees structure is formed in exactly the same potential region as in acid solution. We propose that the continuous removal of OHad in the Lanmmuir-Hinshelwood reaction (COad + OHad = CO2 + H+ + e(-)) may stabilize the c(root2 x 2root2)R45degrees structure in both acid as well as alkaline media. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Liverpool, Dept Phys, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. RP Markovic, NM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM nmmarkovic@lbl.gov OI Lucas, Christopher/0000-0001-5743-3868 NR 33 TC 9 Z9 9 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 29 PY 2004 VL 108 IS 17 BP 5304 EP 5313 DI 10.1021/jp037623u PG 10 WC Chemistry, Physical SC Chemistry GA 814TP UT WOS:000220997300027 ER PT J AU Regan, BC Aloni, S Ritchie, RO Dahmen, U Zettl, A AF Regan, BC Aloni, S Ritchie, RO Dahmen, U Zettl, A TI Carbon nanotubes as nanoscale mass conveyors SO NATURE LA English DT Article ID SCANNING TUNNELING MICROSCOPE; SINGLE ATOMS; ELECTROMIGRATION; NANOCAPILLARITY; CAPILLARITY; CHEMISTRY; SURFACES; PROBES AB The development of manipulation tools that are not too 'fat' or too 'sticky' for atomic scale assembly is an important challenge facing nanotechnology(1). Impressive nanofabrication capabilities have been demonstrated with scanning probe manipulation of atoms(2-5) and molecules(4,6) on clean surfaces. However, as fabrication tools, both scanning tunnelling and atomic force microscopes suffer from a loading deficiency: although they can manipulate atoms already present, they cannot efficiently deliver atoms to the work area. Carbon nanotubes, with their hollow cores and large aspect ratios, have been suggested(7,8) as possible conduits for nanoscale amounts of material. Already much effort has been devoted to the filling of nanotubes(8-11) and the application of such techniques(12,13). Furthermore, carbon nanotubes have been used as probes in scanning probe microscopy(14-16). If the atomic placement and manipulation capability already demonstrated by scanning probe microscopy could be combined with a nanotube delivery system, a formidable nanoassembly tool would result. Here we report the achievement of controllable, reversible atomic scale mass transport along carbon nanotubes, using indium metal as the prototype transport species. This transport process has similarities to conventional electromigration, a phenomenon of critical importance to the semiconductor industry(17,18). C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@socrates.berkeley.edu RI Ritchie, Robert/A-8066-2008; Zettl, Alex/O-4925-2016 OI Ritchie, Robert/0000-0002-0501-6998; Zettl, Alex/0000-0001-6330-136X NR 28 TC 211 Z9 215 U1 4 U2 78 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 29 PY 2004 VL 428 IS 6986 BP 924 EP 927 DI 10.1038/nature02496 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 816AO UT WOS:000221083000035 PM 15118721 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, C Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP Jacobs, J O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, C Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP Jacobs, J O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI New measurements of the D-s(+) -> phi mu(+)nu form factor ratios SO PHYSICS LETTERS B LA English DT Article ID MESON DECAYS AB Using a large sample of D-S(+) --> phimu(+)nu decays collected by the FOCUS photoproduction experiment at Fermilab, we present new measurements of two semileptonic form factor ratios: r(nu) and r(2). We find r(nu) = 1.549 +/- 0.250 +/- 0.148 and r(2) = 0.713 +/- 10.202 +/- 0.284. These values are consistent with r(nu) and r(2) form factors measured for the process D+ --> (K) over bar*(())l(+)nu(e). (C) 2004 Published by Elsevier B.V. C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesuisas Fis, Rio De Janeiro, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Dipartimento Fis Teorica & Nucl, Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Link, JM (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM jew@mx0.hep.uiuc.edu RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Kutschke, Robert/0000-0001-9315-2879 NR 21 TC 13 Z9 13 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 29 PY 2004 VL 586 IS 3-4 BP 183 EP 190 DI 10.1016/j.physletb.2004.02.015 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 813YK UT WOS:000220942200005 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP Jacobs, J O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP Jacobs, J O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Study of hadronic five-body decays of charmed mesons involving K-S(0) SO PHYSICS LETTERS B LA English DT Article ID SPECTROMETER; MODES; FOCUS; D0 C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Dipartimento Fis Teorica & Nucl, I-27100 Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Link, JM (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM jcumalat@pizero.colorado.edu RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Kutschke, Robert/0000-0001-9315-2879; Kryemadhi, Abaz/0000-0002-1240-2803 NR 15 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD APR 29 PY 2004 VL 586 IS 3-4 BP 191 EP 197 DI 10.1016/j.physletb.2003.11.078 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 813YK UT WOS:000220942200006 ER PT J AU Karliner, M Lipkin, HJ AF Karliner, M Lipkin, HJ TI The narrow width of the Theta(+) - a possible explanation SO PHYSICS LETTERS B LA English DT Article ID DYNAMICAL MODEL AB The narrow width of the exotic narrow baryon resonance Theta(+) might be explained by mixing between the two nearly degenerate states that arise in models with two diquarks and an antiquark. The only open Theta(+) decay channel is KN. When two states both coupled to a single dominant decay mode are mixed by the loop diagram via this decay mode, diagonalization of the loop diagram decouples one mass eigenstate from this decay mode as in some treatments of the rho-pi decay from the mixed singlet-octet a omega-phi system, the K*-pi decay of the strange axial vector mesons and the N K couplings of some baryons. This mechanism can explain the narrow width and weak coupling of Theta(+) --> K N while allowing a relatively large production cross section from K* exchange. Interesting tests are suggested in K-p reactions where backward kaon production must go by exotic baryon exchange. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. Tel Aviv Univ, Sch Phys & Astron, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Karliner, M (reprint author), Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. EM marek@proton.tau.ac.il; ftlipkin@clever.weizmann.ac.il NR 25 TC 32 Z9 33 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD APR 29 PY 2004 VL 586 IS 3-4 BP 303 EP 306 DI 10.1016/j.physletb.2004.02.034 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 813YK UT WOS:000220942200020 ER PT J AU Leibovich, AK Ligeti, Z Stewart, IW Wise, MB AF Leibovich, AK Ligeti, Z Stewart, IW Wise, MB TI Predictions for nonleptonic Lambda b and Theta b decays SO PHYSICS LETTERS B LA English DT Article ID WEAK FORM-FACTORS; SEMILEPTONIC DECAY; HEAVY MESONS; FACTORIZATION; SYMMETRY AB We study nonleptonic Lambda(b) --> Lambda(c)pi, Sigma(c)pi and Sigma(c)*pi decays in the limit m(b), m(c), E-pi much greater than Lambda(QCD) using the soft-collinear effective theory. Here Sigma(c) = Sigma(c) (2455) and Sigma(c)* = Sigma(c)(2520). At leading order the A(b) --> Sigma(c)((*)) rates vanish, while the Lambda(b) --> Lambda(c)pi rate is related to Lambda(b) --> Lambda(c)(v) over bar, and is expected to be larger than Gamma(B --> D((*))pi). The dominant contributions to the Lambda(b) --> Sigma(c)((*))pi rates are suppressed by Lambda(QCD)(2)/E-pi(2). We predict Gamma(Lambda(b) --> Sigma(c)pi)/Gamma(Lambda(b) --> Sigma(c)pi) = 2 + O[Lambda(QCD)/m(Q), alpha(s) (m(Q))], and the same ratio for Lambda(b) --> Sigma(c)((*))rho and for Lambda(b) --> Xi(c)((1,*)) K. "Bow tie" diagrams are shown to be suppressed. We comment on possible discovery channels for weakly decaying pentaquarks, Theta(b,c) and their nearby heavy quark spin symmetry partners, Theta(b.c)(*) (C) 2004 Published by Elsevier B.V. C1 Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. CALTECH, Pasadena, CA 91125 USA. RP Leibovich, AK (reprint author), Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. EM ak12@pitt.edu; ligeti@lbl.gov; iains@mit.edu; wise@theory.caltech.edu NR 28 TC 24 Z9 24 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 29 PY 2004 VL 586 IS 3-4 BP 337 EP 344 DI 10.1016/j.physletb.2004.02.033 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 813YK UT WOS:000220942200025 ER PT J AU Barone, V Calarco, T Drago, A Simani, MC AF Barone, V Calarco, T Drago, A Simani, MC TI Flavor asymmetry of the polarized light sea: models vs. data (vol 572, pg 32, 2003) SO PHYSICS LETTERS B LA English DT Correction C1 Univ Piemonte Orientale A Avogadro, DiSTA, I-15100 Alessandria, Italy. Ist Nazl Fis Nucl, Grp Coll Alessandria, I-15100 Alessandria, Italy. ECT, I-38050 Villazzano, Trent, Italy. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Barone, V (reprint author), Univ Piemonte Orientale A Avogadro, DiSTA, I-15100 Alessandria, Italy. EM drago@fe.infn.it RI Drago, Alessandro/F-6347-2012 NR 1 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 29 PY 2004 VL 586 IS 3-4 BP 441 EP 441 DI 10.1016/j.physletb.2003.11.001 PG 1 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 813YK UT WOS:000220942200039 ER PT J AU Elliott, DC Neuenschwander, GG Hart, TR Butner, RS Zacher, AH Engelhard, MH Young, JS McCready, DE AF Elliott, DC Neuenschwander, GG Hart, TR Butner, RS Zacher, AH Engelhard, MH Young, JS McCready, DE TI Chemical processing in high-pressure aqueous environments. 7. Process development for catalytic gasification of wet biomass feedstocks SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID LOW-TEMPERATURE; WATER AB Through the use of a metal catalyst, gasification of wet biomass can be accomplished with high levels of carbon conversion to gas at relatively low temperature (350degreesC). In a pressurized-water environment (20 MPa), near-total conversion of the organic structure of biomass to gases has been achieved in the presence of a ruthenium metal catalyst. The process is essentially steam reforming, as there is no added oxidizer or reagent other than water. In addition, the gas produced is a medium heating value gas due to the synthesis of high levels of methane, as dictated by thermodynamic equilibrium. While good gas production was demonstrated, biomass trace components caused some processing difficulties in the fixed catalyst bed tubular reactor system used for the catalytic gasification process. Results are described for tests using both benchscale and scaled-up reactor systems. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Elliott, DC (reprint author), Pacific NW Natl Lab, POB 999,MSIN K2-12, Richland, WA 99352 USA. EM dougc.elliott@pnl.gov RI Engelhard, Mark/F-1317-2010; OI Hart, Todd/0000-0001-8013-0689; Engelhard, Mark/0000-0002-5543-0812 NR 15 TC 62 Z9 65 U1 3 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD APR 28 PY 2004 VL 43 IS 9 BP 1999 EP 2004 DI 10.1021/ie034303o PG 6 WC Engineering, Chemical SC Engineering GA 814QV UT WOS:000220990100012 ER PT J AU Jaime, M Kim, KH Harrison, N Jorge, G Boebinger, GS Mydosh, JA AF Jaime, M Kim, KH Harrison, N Jorge, G Boebinger, GS Mydosh, JA TI Magnetic-field-induced critical behavior in the hidden-order compound URu2Si2 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 6th Latin American Workshop on Magnetism Magnetic Materials and their Applications (VI LAW3M) CY APR 07-11, 2003 CL Chihuahua, MEXICO DE quantum critical; URu2Si2; specific heat ID SYSTEM; TRANSITIONS AB We investigate the temperature and magnetic field dependences of the specific heat (C), magnetization and resistivity of URu2Si2 from T approximate to 0.5 to 20 K in continuous and pulsed magnetic fields up to 45 T. The specific heat versus temperature at constant magnetic field shows that the transition at T-0 = 17 K is shifted to lower temperatures and sharpened when the magnetic field increases, and is completely suppressed at H approximate to 35.5 T. Between similar to36 and similar to39 T we observe a new first-order anomaly in the specific heat versus temperature. Above 40 T a Schottky-like contribution develops. We also find evidence of metamagnetism at H approximate to 38 T. In the close proximity of the metamagnetic transition we observe evidence of quantum critical behavior in the temperature dependence of the resistivity. We use our data to construct a revised (H.T) phase diagram for this fascinating compound. (C) 2003 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, NHMFL, MST, Los Alamos, NM 87544 USA. Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. Leiden Univ, Kamerlingh Onnes Lab, NL-2300 RA Leiden, Netherlands. Max Planck Inst Chem Phys Solids, Dresden, Germany. RP Los Alamos Natl Lab, NHMFL, MST, Los Alamos, NM 87544 USA. EM mjaime@lanl.gov RI Jaime, Marcelo/F-3791-2015 OI Jaime, Marcelo/0000-0001-5360-5220 NR 18 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 28 PY 2004 VL 369 IS 1-2 BP 33 EP 35 DI 10.1016/j.jallcom.2003.09.043 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 814YR UT WOS:000221010500008 ER PT J AU Jorge, G Jaime, M Harrison, N Stern, R Dabkowska, H Gaulin, BD AF Jorge, G Jaime, M Harrison, N Stern, R Dabkowska, H Gaulin, BD TI High magnetic field magnetization and specific heat of the 2D spin-dimer system SrCu2(BO3)(2) SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 6th Latin American Workshop on Magnetism Magnetic Materials and their Applications (VI LAW3M) CY APR 07-11, 2003 CL Chihuahua, MEXICO DE magnetization; spin-dimer system; SrCu2(BO3)(2); specific heat ID GROUND-STATE; PLATEAUS AB We measured the magnetization versus field of SrCu2(BO3)(2) using a 45 T, 400 ms pulsed magnet. By achieving good thermal coupling of the sample to the He-3 and He-4 baths, we obtained a realistic temperature-dependence for the 1/8, 1/4 and 1/3 magnetization plateaux. In addition, we measured the low temperature specific heat in continuous magnetic fields up to 18 T. We found that a contribution attributed to singlet spin-dimer excitations is suppressed with increasing magnetic fields. At fields H = 12 T a second anomaly is evident that shifts to lower temperatures as the field increases. The second anomaly is attributed to triplet spin excitations that come closer to the ground state in presence of an external field. A linear extrapolation of this anomaly plotted versus field indicate that the gap associated to these excitations could be suppressed at H approximate to 25 T, just before the 1/8 magnetization plateau. (C) 2003 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, NHMFL, MST, Los Alamos, NM 87544 USA. Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. NICPB, Tallinn, Estonia. McMaster Univ, Hamilton, ON L8S 4L8, Canada. RP Jaime, M (reprint author), Los Alamos Natl Lab, NHMFL, MST, Los Alamos, NM 87544 USA. EM mjaime@lanl.gov RI Piper, Walter/B-7908-2009; Jaime, Marcelo/F-3791-2015; Stern, Raivo/A-5387-2008 OI Jaime, Marcelo/0000-0001-5360-5220; Stern, Raivo/0000-0002-6724-9834 NR 10 TC 5 Z9 5 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 28 PY 2004 VL 369 IS 1-2 BP 90 EP 92 DI 10.1016/j.jallcom.2003.09.078 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 814YR UT WOS:000221010500023 ER PT J AU Nakotte, H El-Khatib, S Christianson, A Von Dreele, RB Prokes, K Sechovsky, V Pereira, LCJ Spirlet, JC Rebizant, J AF Nakotte, H El-Khatib, S Christianson, A Von Dreele, RB Prokes, K Sechovsky, V Pereira, LCJ Spirlet, JC Rebizant, J TI Effect of temperature on hybridization and magnetism in U2Pd2Sn and U2Ni2In SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 6th Latin American Workshop on Magnetism Magnetic Materials and their Applications (VI LAW3M) CY APR 07-11, 2003 CL Chihuahua, MEXICO DE intermetallics; neutron scattering/diffraction; heavy fermions ID TERNARY INTERMETALLIC COMPOUNDS; URANIUM AB We report on the temperature variation of the interatomic distances in isostructural U2Ni2In and U2Pd2Sn, both of which order antiferromagnetically at low temperatures. Both compounds exhibit complex non-collinear arrangements of the magnetic moments confined to the tetragonal basal plane, which is perpendicular to the shortest interuranium distance along the c-axis at low temperatures. The different temperature dependencies of the shortest interatomic links between uranitum and the transition metal (Ni or Pd) provide evidence for the dual nature of 5f-d hybridization in these two compounds. We argue that magnetic ordering in U2Pd2Sn arises due to increased 5f-d hybridization (promoting stronger exchange) while the reduced hybridization in U2Ni2In allows for the formation of stable U magnetic moments. (C) 2004 Elsevier B.V. All rights reserved. C1 New Mexico State Univ, Phys Dept MSC3D, Las Cruces, NM 88003 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Charles Univ, Prague 12116 2, Czech Republic. Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. RP Nakotte, H (reprint author), New Mexico State Univ, Phys Dept MSC3D, Las Cruces, NM 88003 USA. EM hnakotte@nmsu.edu RI Pereira, Laura/G-3579-2013; Sechovsky, Vladimir/A-5256-2008; christianson, andrew/A-3277-2016 OI Pereira, Laura/0000-0002-8818-0039; Sechovsky, Vladimir/0000-0003-1298-2120; christianson, andrew/0000-0003-3369-5884 NR 10 TC 1 Z9 1 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 28 PY 2004 VL 369 IS 1-2 BP 273 EP 276 DI 10.1016/j.jallcom.2004.01.015 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 814YR UT WOS:000221010500067 ER PT J AU Schmitt, A Bushaw, BA Wendt, K AF Schmitt, A Bushaw, BA Wendt, K TI Determination of the Sm-154 ionization energy by high-precision laser spectroscopy SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID RYDBERG SERIES; GROUND-STATE; LAMB SHIFT; FREQUENCY; TRANSITIONS; HYDROGEN AB High-resolution resonance ionization mass spectrometry has been used to determine the ionization energy of Sm-154. Three-step resonant excitation with single-frequency lasers populates a series of l = 3, J = 4 Rydberg levels in the range of n = 60-160, covering the range of 30 cm(-1) to 4 cm(-1) below the first ionization limit. Although samarium has a complex electronic structure with eight valence electrons, series of nearly unperturbed levels could be observed. Analysis includes shifts caused by a single perturbing state, an extended Ritz term for quantum defect variation at lower n, and corrections for residual electric fields. The resulting series convergence limit has an uncertainty of 4 x 10(-5) cm(-1), while the final value E-I ((SM)-S-154) = 45519.30793(43) cm(-1) also accounts for the uncertainty in absolute laser frequencies coupling the Rydberg spectrum to the J = 0 ground state and other systematic errors. Precision is improved by nearly four orders of magnitude over previous values. C1 Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schmitt, A (reprint author), Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. RI Wendt, Klaus/D-7306-2011 OI Wendt, Klaus/0000-0002-9033-9336 NR 26 TC 3 Z9 3 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 28 PY 2004 VL 37 IS 8 BP 1633 EP 1644 AR PII S0953-4075(04)73189-2 DI 10.1088/0953-4075/37/8/006 PG 12 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 820ZI UT WOS:000221428300012 ER PT J AU Auciello, O Birrell, J Carlisle, JA Gerbi, JE Xiao, XC Peng, B Espinosa, HD AF Auciello, O Birrell, J Carlisle, JA Gerbi, JE Xiao, XC Peng, B Espinosa, HD TI Materials science and fabrication processes for a new MEMS technoloey based on ultrananocrystalline diamond thin films SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Review ID CORE-LEVEL PHOTOABSORPTION; NANOCRYSTALLINE DIAMOND; MECHANICAL-PROPERTIES; GRAIN-BOUNDARIES; GROWTH; TIPS AB Most MEMS devices are currently based on silicon because of the available surface machining technology. However, Si has poor mechanical and tribological properties which makes it difficult to produce high performance Si based MEMS devices that could work reliably, particularly in harsh environments; diamond, as a superhard material with high mechanical strength, exceptional chemical inertness, outstanding thermal stability and superior tribological performance, could be an ideal material for MEMS. A key challenge for diamond MEMS is the integration of diamond films with other materials. Conventional CVD thin film deposition methods produce diamond films with large grains, high internal stress, poor intergranular adhesion and very rough surfaces, and are consequently ill-suited for MEMS applications. Diamond-like films offer an alternative, but are deposited using physical vapour deposition methods unsuitable for conformal deposition on high aspect ratio features, and generally they do not exhibit the outstanding mechanical properties of diamond. We describe a new ultrananocrystalline diamond (UNCD) film technology based on a microwave plasma technique using argon plasma chemistries that produce UNCD films with morphological and mechanical properties that are ideally suited for producing reliable MEMS devices. We have developed lithographic techniques for the fabrication of UNCD MEMS components, including cantilevers and multilevel devices, acting as precursors to microbearings and gears, making UNCD a promising material for the development of high performance MEMS devices. We also review the mechanical, tribological, electronic transport, chemical and biocompatibility properties of UNCD, which make this an ideal material for reliable, long endurance MEMS device use. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. RP Auciello, O (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Espinosa, Horatio/B-6693-2009 NR 32 TC 108 Z9 109 U1 4 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 28 PY 2004 VL 16 IS 16 BP R539 EP R552 DI 10.1088/0953-8984/16/16/R02 PG 14 WC Physics, Condensed Matter SC Physics GA 821SM UT WOS:000221482900006 ER PT J AU Moudrakovski, IL Wang, LQ Baumann, T Satcher, JH Exarhos, GJ Ratcliffe, CI Ripmeester, JA AF Moudrakovski, IL Wang, LQ Baumann, T Satcher, JH Exarhos, GJ Ratcliffe, CI Ripmeester, JA TI Probing the geometry and interconnectivity of pores in organic aerogels using hyperpolarized Xe-129 NMR spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID XENON; DYNAMICS; EXCHANGE; ZEOLITE C1 Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Wang, LQ (reprint author), Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. EM lq.wang@pnl.gov OI Moudrakovski, Igor/0000-0002-8919-4766 NR 16 TC 24 Z9 24 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 28 PY 2004 VL 126 IS 16 BP 5052 EP 5053 DI 10.1021/ja049577x PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 814EL UT WOS:000220957900017 PM 15099072 ER PT J AU Waters, T Wang, XB Yang, X Zhang, LY O'Hair, RAJ Wang, LS Wedd, AG AF Waters, T Wang, XB Yang, X Zhang, LY O'Hair, RAJ Wang, LS Wedd, AG TI Photoelectron spectroscopy of the doubly-charged anions [(MO)-O-IV(mnt)(2)](2-) (M = Mo, W; mnt = S2C2(CN)(2)(2-)): Access to the ground and excited states of the [(MO)-O-V(mnt)(2)](-) anion SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MONONUCLEAR MOLYBDENUM ENZYMES; ELECTRONIC-STRUCTURE; GAS-PHASE; DITHIOLENE COMPLEXES; ACTIVE-SITES; TRANSITION-STATE; TUNGSTEN OXIDOREDUCTASES; MOLECULAR-STRUCTURE; MAGNETIC-PROPERTIES; SULFITE OXIDASE AB Photodetachment photoelectron spectroscopy was used to investigate the electronic structure of the doubly charged complexes [(MO)-O-IV(mnt)(2)](2-) (M = Mo, W; mnt = 1,2-dicyanoethenedithiolato). These dianions are stable in the gas phase and are minimal models for the active sites of the dimethyl sulfoxide reductase family of molybdenum enzymes and of related tungsten enzymes. Adiabatic and vertical electron binding energies for both species were measured, providing detailed information about molecular orbital energy levels of the parent dianions as well as the ground and excited states of the product anions [(MO)-O-V(mnt)(2)](-). Density functional theory calculations were used to assist assignment of the detachment features. Differences in energy between these features provided the energies of ligand-to-metal charge-transfer transitions from S(pi) and S(sigma) molecular orbitals to the singly occupied metal-based orbital of the products [(MO)-O-V(mnt)(2)](-). These unique data for the M-V species were obtained at the C-2v geometry of the parent M-IV dianions. However, theoretical calculations and available condensed phase data suggested that a geometry featuring differentially folded dithiolene ligands (C-s point symmetry) was slightly lower in energy. The driving force for ligand folding is a favorable covalent interaction between the singly occupied metal-based molecular orbital (a(1) in C-2v point symmetry; highest occupied molecular orbital (HOMO)) and the least stable of the occupied sulfur-based molecular orbitals (b(1) in C-2v point symmetry, HOMO-1) that is only possible upon reduction to the lower symmetry. This ligand folding induces a large increase in the intensity predicted for the a' S(pi) --> a' d(x2-y2) charge-transfer transition originating from the HOMO-2 of [(MO)-O-V(mnt)(2)](-) under C-s point symmetry. Electronic absorption spectra are available for the related species [(MoO)-O-V(bdt)(2)](-) (belt = 1,2-benzenedithiolato) and for the oxidized form of dimethyl sulfoxide reductase. The intense absorptions at similar to1.7 eV have been assigned previously to S(a) - Mo transitions, assuming C-2v, geometry. The present work indicates that the alternative a' S(pi) --> a' d(x2-y2) of C-s geometry must be considered. Overall, this study confirms that the electronic structure of the M-dithiolene units are exquisitely sensitive to dithiolene ligand folding, reinforcing the proposal that these units are tunable conduits for electron transfer in enzyme systems. C1 Washington State Univ, Dept Phys, Richland, WA 99352 USA. Univ Melbourne, Sch Chem, Melbourne, Vic 3010, Australia. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, Richland, WA 99352 USA. EM ls.wang@pnl.gov; agw@unimelb.edu.au FU NIGMS NIH HHS [GM-63555] NR 76 TC 23 Z9 23 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 28 PY 2004 VL 126 IS 16 BP 5119 EP 5129 DI 10.1021/ja039652o PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 814EL UT WOS:000220957900040 PM 15099095 ER PT J AU Mudring, AV Corbett, JD AF Mudring, AV Corbett, JD TI Unusual electronic and bonding properties of the zintl phase Ca5Ge3 and related compounds. A theoretical analysis SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID INTERMETALLIC COMPOUNDS; CR5B3-LIKE STRUCTURES; SYSTEMS; BA; CA; SR; EU; HYDRIDE; METALS; TIN AB Theoretical reasons for metallic behavior among diverse Zintl phases have generally not been pursued at an advanced level. Here, the electronic structure of Ca5Ge3 (Cr5B3 type), which can be formulated (Ca+2)(5)(Ge-2(-6))Ge-4 in oxidation states, has been explored comparatively by means of semiempirical and first-principles density functional methods. The FP-APW calculations show that alkaline-earth-metal and germanium orbitals, particularly the d orbitals on the cations and the p-pi* orbitals of the halogen-like dimeric Ge-2(-6), mix considerably to form a conduction band. This covalency perfectly explains the unusual metallic properties of the nominally electron-precise Zintl phase Ca5Ge3 and its numerous relatives. Similar calculational results are obtained for Sr5Ge3, Ba5Ge3, and Ca5Sn3- Cation d orbitals appear to be a common theme among Zintl phases that are also metallic. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM jdc@amesiab.gov RI Mudring, Anja/C-4739-2014 OI Mudring, Anja/0000-0002-2800-1684 NR 32 TC 47 Z9 47 U1 2 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 28 PY 2004 VL 126 IS 16 BP 5277 EP 5281 DI 10.1021/ja030216b PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 814EL UT WOS:000220957900057 PM 15099112 ER PT J AU Striplin, DR Reece, SY McCafferty, DG Wall, CG Friesen, DA Erickson, BW Meyer, TJ AF Striplin, DR Reece, SY McCafferty, DG Wall, CG Friesen, DA Erickson, BW Meyer, TJ TI Solvent dependence of intramolecular electron transfer in a helical oligoproline assembly SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TRANSFER EXCITED-STATES; SOLID-PHASE SYNTHESIS; METAL-COMPLEXES; CHARGE-TRANSFER; ARTIFICIAL PHOTOSYNTHESIS; DISTANCE DEPENDENCE; NONRADIATIVE DECAY; REDOX DERIVATIVES; INVERTED REGION; LYSINE AB The helical oligoproline assembly CH(3)-CO- P ro-Pro- Pro- Pra(Ptzpn)-P ro-P ro- P ra(Ru(II)b(2)m)(2+)- ProPro-Pra(Anq)-Pro-Pro-Pro-NH(2), having a spatially ordered array of functional sites protruding from the proline backbone, has been prepared. The 13-residue assembly formed a linear array containing a phenothiazine electron donor, a tris(bipyridine)ruthenium(II) chromophore, and an anthraquinone electron acceptor with the proline II secondary structure as shown by circular dichroism measurements. Following Ru(II) --> b(2)m metal-to-ligand charge-transfer (MLCT) excitation at 457 nm, electron-transfer quenching occurs, ultimately to give a redox-separated (RS) state containing a phenothiazine (PTZ) radical cation at the Pra(Ptzpn) site and an anthraquinone (ANQ) radical anion at the Pra(Anq) site. The redox-separated state was formed with 33-96% efficiency depending on the solvent, and the transient stored energy varied from -1.46 to -1.71 eV at 22 +/- 2 degreesC. The dominant quenching mechanism is PTZ reductive quenching of the initial Ru(III)(b(2)m(.-)) MLCT excited state which is followed by m(.-) --> ANQ electron transfer to give the RS state. Back electron transfer is highly exergonic and occurs in the inverted region. The rate constant for back electron transfer is solvent dependent and varies from 5.2 x 10(6) to 7.7 x 10(6) s(-1) at 22 +/- 2 degreesC. It is concluded that back electron transfer occurs by direct ANQ(.-) --> PTZ(.+) electron transfer. Based on independently evaluated kinetic parameters, the electron-transfer matrix element is H(DA) approximate to 0.13 cm(-1). C1 Davidson Coll, Dept Chem, Davidson, NC 28036 USA. Univ N Carolina, Dept Chem, Chapel Hill, NC 27514 USA. Los Alamos Natl Lab, Associate Director Strateg Res, Los Alamos, NM 87545 USA. RP Meyer, TJ (reprint author), Davidson Coll, Dept Chem, Davidson, NC 28036 USA. EM tjmeyer@lanl.gov NR 65 TC 40 Z9 40 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 28 PY 2004 VL 126 IS 16 BP 5282 EP 5291 DI 10.1021/ja0304289 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 814EL UT WOS:000220957900058 PM 15099113 ER PT J AU Russell, PB Livingston, JM Dubovik, O Ramirez, SA Wang, J Redemann, J Schmid, B Box, M Holben, BN AF Russell, PB Livingston, JM Dubovik, O Ramirez, SA Wang, J Redemann, J Schmid, B Box, M Holben, BN TI Sunlight transmission through desert dust and marine aerosols: Diffuse light corrections to Sun photometry and pyrheliometry SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE Sun photometer; aerosol; diffuse ID OPTICAL-DEPTH SPECTRA; SAHARAN DUST; ACE-ASIA; COLUMN CLOSURE; WATER-VAPOR; TROPOSPHERIC AEROSOL; SIZE DISTRIBUTION; MINERAL AEROSOLS; SULFATE AEROSOL; SOLAR SPECTRUM AB [1] Desert dust and marine aerosols are receiving increased scientific attention because of their prevalence on intercontinental scales and their potentially large effects on Earth radiation, climate, other aerosols, clouds, and precipitation. The relatively large size of dust and marine aerosol particles produces scattering phase functions that are strongly forward peaked. Hence Sun photometry and pyrheliometry of these aerosols are more subject to diffuse light errors than is the case for smaller aerosols. We quantify these diffuse light effects for common Sun photometer and pyrheliometer fields of view (FOV), using data on dust and marine aerosols from ( 1) Aerosol Robotic Network (AERONET) measurements of sky radiance and solar beam transmission and ( 2) in situ measurements of aerosol layer size distribution and chemical composition. Accounting for particle nonsphericity is important when deriving dust size distribution from both AERONET and in situ aerodynamic measurements. We obtain correction factors that can be applied to Sun photometer or pyrheliometer results for aerosol optical depth (AOD) or direct beam transmission. The corrections are negligible (less than similar to1% of AOD) for Sun photometers with narrow FOV (half-angle eta < similar to 1 degrees), but they can be as large as 10% of AOD at 354 nm wavelength for Sun photometers with eta = 1.85 degrees. For pyrheliometers (which can have eta up to similar to 2.8 degrees), corrections can be as large as 16% at 354 nm. AOD correction factors are well correlated with AOD wavelength dependence (hence angstrom ngstrom exponent). We provide best fit equations for determining correction factors from angstrom ngstrom exponents of uncorrected AOD spectra, and we demonstrate their application to vertical profiles of multiwavelength AOD. C1 NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. SRI Int, Menlo Pk, CA 94025 USA. NASA, Goddard Space Flight Ctr, Goddard Earth Sci & Technol Ctr, Greenbelt, MD 20771 USA. Bay Area Environm Res Inst, Sonoma, CA USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ New S Wales, Sch Phys, Sydney, NSW, Australia. NASA, Goddard Space Flight Ctr, Atmospheres Lab, Greenbelt, MD 20771 USA. RP Russell, PB (reprint author), NASA, Ames Res Ctr, MS 245-5, Moffett Field, CA 94035 USA. EM philip.b.russell@nasa.gov; jlivingston@mail.arc.nasa.gov; dubovik@aeronet.gsfc.nasa.gov; s.a.ramirez@mail.arc.nasa.gov; jian@bnl.gov; jredemann@mail.arc.nasa.gov; bschmid@mail.arc.nasa.gov; m.box@unsw.edu.au; brent@aeronet.gsfc.nasa.gov RI Dubovik, Oleg/A-8235-2009; Wang, Jian/G-9344-2011 OI Dubovik, Oleg/0000-0003-3482-6460; NR 49 TC 22 Z9 22 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 27 PY 2004 VL 109 IS D8 AR D08207 DI 10.1029/2003JD004292 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 819OR UT WOS:000221325000003 ER PT J AU Stoll, H Puzic, A van Waeyenberge, B Fischer, P Raabe, J Buess, M Haug, T Hollinger, R Back, C Weiss, D Denbeaux, G AF Stoll, H Puzic, A van Waeyenberge, B Fischer, P Raabe, J Buess, M Haug, T Hollinger, R Back, C Weiss, D Denbeaux, G TI High-resolution imaging of fast magnetization dynamics in magnetic nanostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID X-RAY MICROSCOPY; SPIN-WAVES; DOMAIN AB By combining magnetic transmission x-ray microscopy with a stroboscopic pump and probe technique using synchrotron radiation we are able to image the magnetization dynamics in micron sized magnetic particles on a sub-100 ps time scale with a lateral spatial resolution down to 21 nm. We report first observations in squared elements indicating locally varying precessional frequencies which are in agreement with micromagnetic simulations. The experiment opens a route towards a high spatiotemporal resolution of spin patterns which is needed to understand the microscopic origin of magnetization reversal of micron sized and nano-sized magnetic particles. (C) 2004 American Institute of Physics. C1 Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Univ Regensburg, Inst Expt & Angew Phys, D-93040 Regensburg, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, CXRO, Berkeley, CA 94720 USA. RP Fischer, P (reprint author), Max Planck Inst Met Res, Heisenbergstr 3, D-70569 Stuttgart, Germany. EM peter.fischer@mf.mpg.de RI Fischer, Peter/A-3020-2010; Back, Christian/A-8969-2012; Weiss, Dieter/G-4883-2016; Raabe, Joerg/C-4818-2012 OI Fischer, Peter/0000-0002-9824-9343; Back, Christian/0000-0003-3840-0993; Weiss, Dieter/0000-0002-9630-9787; Raabe, Joerg/0000-0002-2071-6896 NR 22 TC 99 Z9 99 U1 3 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 26 PY 2004 VL 84 IS 17 BP 3328 EP 3330 DI 10.1063/1.1723698 PG 3 WC Physics, Applied SC Physics GA 814EN UT WOS:000220958100036 ER PT J AU Eisebitt, S Lorgen, M Eberhardt, W Luning, J Andrews, S Stohr, J AF Eisebitt, S Lorgen, M Eberhardt, W Luning, J Andrews, S Stohr, J TI Scalable approach for lensless imaging at x-ray wavelengths SO APPLIED PHYSICS LETTERS LA English DT Article ID FOURIER-TRANSFORM; RECONSTRUCTION; DIFFRACTION; MODULUS; OBJECT; PHASE AB We demonstrate a versatile approach to perform lensless imaging at x-ray wavelength. A special design of a sample holder allows recovery of the low spatial frequency information of the sample from the Patterson map of the measured diffraction. As a result, the phase can be reconstructed from an oversampled x-ray diffraction pattern alone, eliminating the need to resort to a low-resolution image of the sample. As the sample holder provides this functionality due to a suitable reference hole, the technique is applicable to a wide variety of samples and can be easily scaled to investigate large arrays of samples. The method is especially well suited for single-shot experiments as envisioned with x-ray free-electron lasers. (C) 2004 American Institute of Physics. C1 BESSY mbH, D-12489 Berlin, Germany. SSRL, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Eisebitt, S (reprint author), BESSY mbH, Albert Einstein Str 15, D-12489 Berlin, Germany. EM eisebitt@bessy.de NR 13 TC 22 Z9 22 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 26 PY 2004 VL 84 IS 17 BP 3373 EP 3375 DI 10.1063/1.1728320 PG 3 WC Physics, Applied SC Physics GA 814EN UT WOS:000220958100051 ER PT J AU Fischer, AJ Allerman, AA Crawford, MH Bogart, KHA Lee, SR Kaplar, RJ Chow, WW Kurtz, SR Fullmer, KW Figiel, JJ AF Fischer, AJ Allerman, AA Crawford, MH Bogart, KHA Lee, SR Kaplar, RJ Chow, WW Kurtz, SR Fullmer, KW Figiel, JJ TI Room-temperature direct current operation of 290 nm light-emitting diodes with milliwatt power levels SO APPLIED PHYSICS LETTERS LA English DT Article ID EMISSION; PERFORMANCE; SAPPHIRE; LAYERS AB Ultraviolet light-emitting diodes (LEDs) have been grown by metalorganic vapor phase epitaxy using AlN nucleation layers and thick n-type Al0.48Ga0.52N current spreading layers. The active region is composed of three Al0.36Ga0.64N quantum wells with Al0.48Ga0.52N barriers for emission at 290 nm. Devices were designed as bottom emitters and flip-chip bonded to thermally conductive submounts using an interdigitated contact geometry. The ratio of quantum well emission to 330 nm sub-band gap emission is as high as 125:1 for these LEDs. Output power as high as 1.34 mW at 300 mA under direct current operation has been demonstrated with a forward voltage of 9.4 V. A peak external quantum efficiency of 0.18% has been measured at an operating current of 55 mA. (C) 2004 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Fischer, AJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ajfisch@sandia.gov NR 14 TC 137 Z9 142 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 26 PY 2004 VL 84 IS 17 BP 3394 EP 3396 DI 10.1063/1.1728307 PG 3 WC Physics, Applied SC Physics GA 814EN UT WOS:000220958100058 ER PT J AU Shaw, WJ Kandandarachchi, P Franz, JA Autrey, T AF Shaw, WJ Kandandarachchi, P Franz, JA Autrey, T TI Spectroscopic studies of tributylstannyl radical. Rates of formation, termination, and abstraction determined by transient absorption spectroscopy SO ORGANOMETALLICS LA English DT Article ID ABSOLUTE RATE CONSTANTS; TERTIARY ALKYL RADICALS; ELECTRON-SPIN-RESONANCE; RATE EXPRESSIONS; ORGANIC HALIDES; BETA-SCISSION; HYDROGEN; LASER; BOND; REARRANGEMENT AB Transient absorption spectroscopy (TAS) was used to measure the rate of formation and the rate of self-termination of the main group metal hydride, tri-n-butyltin hydride (Bu3SnH). Irradiation of di-tert-butyl peroxide in the presence of Bu3SnH generates the tri-n-butylstannyl radical (Bu3Sn.) by hydrogen atom abstraction. Analysis of the growth of the Bu3Sn. at 400 nm, corrected for radical termination, yields k(H-abs) = (3.5 +/- 0.3) x 10(8) M-1 s(-1). The extinction coefficient of the Bu3Sn. (epsilon = 1620 +/- 40 cm(-1) M-1 at 400 nm), measured for the first time in this work, is 3.5 times greater than the literature estimate. The experimental value for epsilon(Bu3Sn.) permits the quantitative measurement of the rate of Bu3Sn. self-termination (2k(t) = (3.6 +/- 0.3) x 10(9) M-1 s(-1)) in benzene at 296 K. This experimental value is greater than previous literature estimates but less than predicted by the Smoluchowski equation (2k(t)(s) = (4.4 +/- 0.2) x 10(9) M-1 s(-1)) using our measured diffusion coefficient for tin hydride (D = (1.34 +/- 0.08) x 10(-5) cm(2) s(-1) at 296 K in benzene). This work shows that the rates of hydrogen abstraction from Bu3SnH by tert-butoxyl radical and self-termination of Bu3Sn. are both more rapid than previously reported. A mechanistic kinetic model was developed with this new kinetic information to fit the time-dependent TAS signal of Bu3Sn.. This approach provides the optimum reaction conditions, both low hydride and halide concentrations, to measure the rate of bromine atom abstraction from 2-phenethyl bromide (k(Br-abs) = (3.7 +/- 0.3) x 10(7) M-1 sd(-1)). C1 Pacific NW Natl Lab, Fund Sci Div, Richland, WA 99352 USA. RP Autrey, T (reprint author), Pacific NW Natl Lab, Fund Sci Div, POB 99 MS K2-57, Richland, WA 99352 USA. EM tom.autrey@pnl.gov NR 44 TC 5 Z9 5 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 26 PY 2004 VL 23 IS 9 BP 2080 EP 2086 DI 10.1021/om049933k PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 814LS UT WOS:000220976800016 ER PT J AU Keahey, K Welch, V Lang, S Liu, B Meder, S AF Keahey, K Welch, V Lang, S Liu, B Meder, S TI Fine-grained authorization for job execution in the Grid: design and implementation SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT International Workshop on Middleware for Grid Computing CY 2003 CL Rio de Janeiro, BRAZIL DE Grids; authorization; policy enforcement; resource management AB In this paper, we describe our work on enabling fine-grained authorization for resource usage and management. We address the need of virtual organizations to enforce their own polices in addition to those of the resource owners, with regards to both resource consumption and job management. To implement this design, we propose changes and extensions to the Globus Toolkit's version 2 resource management mechanism. We describe the prototype and policy language that we have designed to express fine-grained policies and present an analysis of our solution. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. Univ Chicago, Chicago, IL 60637 USA. Univ Houston, Houston, TX 77004 USA. RP Keahey, K (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave,Bldg 221, Argonne, IL 60439 USA. EM keahey@mcs.anl.gov NR 16 TC 1 Z9 1 U1 0 U2 0 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD APR 25 PY 2004 VL 16 IS 5 BP 477 EP 488 DI 10.1002/cpe.827 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 812VT UT WOS:000220867700010 ER PT J AU Huang, JY Zhu, YT Alexander, DJ Liao, XZ Lowe, TC Asaro, RJ AF Huang, JY Zhu, YT Alexander, DJ Liao, XZ Lowe, TC Asaro, RJ TI Development of repetitive corrugation and straightening SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE RCS; SPD; grain refinernent; copper ID SEVERE PLASTIC-DEFORMATION; MICROSTRUCTURE; METALS; SHEAR AB In this paper. we present recent developments in repetitive corrugation and straightening (RCS), a new severe plastic deformation (SPD) technique. Two refinements of the original RCS method are presented and results are shown for commercial purity copper that illustrate the associated improvements in the effectiveness of nanostructuring. Second-generation tooling was implemented using a bench scale rolling mill for Continuous processing of sheet and bar. We have found that this design does not produce enough plastic strain per RCS cycle for effective grain refinement prior to the formation and growth of fatigue cracks. Third-generation tooling was designed to process sheet and increase the amount of shear deformation per iteration. The third-generation tooling design introduced significant shear strain and was found to be effective in grain refinement. (C) 2003 Published by Elsevier B.V. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Univ Calif San Diego, La Jolla, CA 92903 USA. RP Huang, JY (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM jyhuang@lanl.gov RI Zhu, Yuntian/B-3021-2008; Liao, Xiaozhou/B-3168-2009; Huang, Jianyu/C-5183-2008 OI Zhu, Yuntian/0000-0002-5961-7422; Liao, Xiaozhou/0000-0001-8565-1758; NR 11 TC 72 Z9 78 U1 0 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2004 VL 371 IS 1-2 BP 35 EP 39 DI 10.1016/S0921-5093(03)00114-X PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 818IL UT WOS:000221238700005 ER PT J AU Allameh, SM Lou, J Kavishe, F Buchheit, T Soboyejo, WO AF Allameh, SM Lou, J Kavishe, F Buchheit, T Soboyejo, WO TI An investigation of fatigue in LIGA Ni MEMS thin films SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE fatigue; fracture modes; stress-life experiments; LIGA Ni MEMS ID MECHANICAL-PROPERTIES; NICKEL; PLASTICITY; MICROSTRUCTURES; SCALE; GAUGE AB This paper presents results of an experimental study of fatigue in LIGA Ni micro-electro-mechanical systems (MEMS)/thin films produced by electroplating from a sulfamate bath at a current density of 50 mA/cm(2). Following a brief description of microstructure and micro-tensile properties, the results of stress-life (S-N) experiments are presented for specimens with thicknesses of 70 and 270 mum. Specimens with the thicker cross-sections (270 mum thick) are shown to have comparable fatigue resistance to annealed bulk Ni in the as-plated condition. The thinner specimens (70 mum thick) have comparable fatigue resistance to hardened Ni, and better fatigue resistance than the thicker samples. The underlying fatigue fracture modes are elucidated via scanning electron microscopy. The implications of the results are then discussed for the failure analysis of LIGA Ni MEMS structures. (C) 2004 Published by Elsevier B.V. C1 Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA. Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. Moi Univ, Dept Prod Engn, Eldoret, Kenya. Sandia Natl Labs, Mech Reliabil & Modeling Dept, Albuquerque, NM USA. RP Soboyejo, WO (reprint author), Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA. EM soboyejo@princeton.edu NR 37 TC 57 Z9 61 U1 4 U2 21 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2004 VL 371 IS 1-2 BP 256 EP 266 DI 10.1016/j.msea.2003.12.020 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 818IL UT WOS:000221238700035 ER PT J AU Stolyarov, VV Shuster, LS Migranov, MS Valiev, RZ Zhu, YT AF Stolyarov, VV Shuster, LS Migranov, MS Valiev, RZ Zhu, YT TI Reduction of friction coefficient of ultrafine-grained CP titanium SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE friction coefficient; UFG; Ti; ECAP; cold rolling ID PURE TI; ECAP; DEFORMATION; REFINEMENT; STABILITY; ALLOYS; WEAR AB Friction coefficient is an important material property that affects the performance and service life of structural components that slide against each other. The frictional force consists of an adhesion force and a deformation force, producing an adhesion component and a deformation component of the friction coefficient. In this study, we compare the adhesion components of ultrafine-grained (UFG) Ti and coarse-grained (CG) Ti at temperatures from 25 to 800 degreesC and under a range of pressures. The UFG Ti samples were in two processing states: equal channel angular pressing (ECAP) for eight passes and ECAP + further cold rolling for 75% rolling strain. The experimental data indicate that ultrafine-grained structure results in lower adhesion component and consequently lower friction coefficient, which should in turn improve the wear property. (C) 2004 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. Ufa State Aviat Tech Univ, Inst Phys & Adv Mat, Ufa 4500000, Russia. RP Zhu, YT (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Mail Stop G755, Los Alamos, NM 87545 USA. EM yzhu@lanl.gov RI Zhu, Yuntian/B-3021-2008 OI Zhu, Yuntian/0000-0002-5961-7422 NR 16 TC 57 Z9 59 U1 1 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2004 VL 371 IS 1-2 BP 313 EP 317 DI 10.1016/j.msea.2003.12.026 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 818IL UT WOS:000221238700041 ER PT J AU Mandal, P Thom, AJ Kramer, MJ Behrani, V Akinc, M AF Mandal, P Thom, AJ Kramer, MJ Behrani, V Akinc, M TI Oxidation behavior of Mo-Si-B alloys in wet air SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE molybdenum silicides; oxidation behavior; wet air; structural/microstructural characterization ID MOLYBDENUM DISILICIDE; DEGREES-C; INTERMETALLICS; COMPOSITES; SILICIDES; BORON; STRENGTH; MO5SI3 AB The present work investigates the effect of water vapor on the oxidation behavior of Mo-Si-B phase assemblages. Three alloys were studied: Alloy 1: Mo5Si3Bx (T1)-MoSi2-MoB; Alloy 2: T1-Mo5SiB2 (T2)-Mo3Si and Alloy 3: Mo-T2-Mo3Si. Tests were conducted at 1000 and 1100 degreesC in controlled atmospheres of dry air and wet air nominally containing up to 2.0 x 10(4) Pa H2O. The effect of moisture on the oxidation behavior of Mo-Si-B alloys has been reported for the first time. The initial mass loss of each alloy was approximately independent of the test temperature and moisture content of the atmosphere and varied according to the Mo content of the alloys. All alloys formed a continuous external glassy scale that protected against further mass change after volatilization of the initially formed MoO3. Each alloy underwent a small steady state mass chance following the initial volatilization Of MoO3. All alloys formed varying amounts of subscale Mo and MoO2, implying that the external glassy scale significantly reduced inward transport of oxygen. For all alloys compared to dry air, water vapor accelerated the growth of the multiphase Mo and MoO2 interlayer at the scale/alloy interface. The role of water vapor on the initial formation of the scale and its stabilization has been qualitatively discussed and analyzed. (C) 2004 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Thom, AJ (reprint author), Iowa State Univ, Ames Lab, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM ajthom@ameslab.gov RI Behrani, Vikas/N-1844-2013 OI Behrani, Vikas/0000-0002-8160-4855 NR 22 TC 29 Z9 31 U1 1 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2004 VL 371 IS 1-2 BP 335 EP 342 DI 10.1016/j.msea.2003.12.025 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 818IL UT WOS:000221238700044 ER PT J AU Oguri, M Inada, N Castander, FJ Gregg, MD Becker, RH Ichikawa, S Pindor, B Brinkmann, J Eisenstein, DJ Frieman, JA Hall, PB Johnston, DE Richards, GT Schechter, PL Schneider, DP Szalay, AS AF Oguri, M Inada, N Castander, FJ Gregg, MD Becker, RH Ichikawa, S Pindor, B Brinkmann, J Eisenstein, DJ Frieman, JA Hall, PB Johnston, DE Richards, GT Schechter, PL Schneider, DP Szalay, AS TI SDSS J1335+0118: A new two-image gravitational lens SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF JAPAN LA English DT Article DE galaxies : quasars : individual (SDSS J133534.79+011805.5); gravitational lensing ID DIGITAL SKY SURVEY; DARK-MATTER SUBSTRUCTURE; QUASAR ABSORPTION SYSTEMS; GALAXY STRUCTURE; DATA RELEASE; SOURCE SIZE; EVOLUTION; CONSTRAINTS; Q2237+0305; CAMERA AB We report on the discovery of the two-image gravitationally lensed quasar SDSS J1335+0118. The object was selected as a lens candidate from the Sloan Digital Sky Survey. The imaging and spectroscopic follow-up observations confirm that the system exhibits two gravitationally lensed images of a quasar at z = 1.57. The image separation is 1."56. We also detect an extended component between the two quasar images, likely to be a lensing galaxy. Preliminary mass modeling predicts a differential time delay, Deltat of similar to 30 h(-1) day, assuming the redshift of the lens galaxy to be 0.5. C1 Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. CSIC, Inst Estudis Espacials Catalunya, ES-08034 Barcelona, Spain. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Natl Astron Observ, Mitaka, Tokyo 1818588, Japan. Princeton Univ Observ, Princeton, NJ 08544 USA. Apache Point Observ, Sunspot, NM 88349 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. RP Univ Tokyo, Dept Phys, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan. RI Oguri, Masamune/C-6230-2011; OI PINDOR, BARTOSZ/0000-0003-3240-2437 NR 54 TC 29 Z9 29 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0004-6264 EI 2053-051X J9 PUBL ASTRON SOC JPN JI Publ. Astron. Soc. Jpn. PD APR 25 PY 2004 VL 56 IS 2 BP 399 EP 405 DI 10.1093/pasj/56.2.399 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 820UY UT WOS:000221416200011 ER PT J AU Weaver-Feldhaus, JM Lou, JL Coleman, JR Siegel, RW Marks, JD Feldhaus, MJ AF Weaver-Feldhaus, JM Lou, JL Coleman, JR Siegel, RW Marks, JD Feldhaus, MJ TI Yeast mating for combinatorial Fab library generation and surface display SO FEBS LETTERS LA English DT Article DE Fab; yeast display; selection; library; antibody; single chain Fv ID HIGH-AFFINITY ANTIBODIES; RIBOSOME DISPLAY; IN-VITRO; PHAGE; RECOMBINATION; SELECTION; PROTEIN; DISCRIMINATION; REPERTOIRES; MATURATION AB Yeast display of antibody fragments has proven to be an efficient and productive means for directed evolution of single chain Fv antibodies for increased affinity and thermal stability, and more recently for the display and screening of a non-immune library. In this paper, we describe an elegant and simple method for constructing large combinatorial Fab libraries for display on the surface of Saccharomyces cerevisiae, from modestly sized, and easily constructed, heavy and light chain libraries. To this end, we have constructed a set of yeast strains and a two vector system for heavy chain and light chain surface display of Fab fragments with free native amino termini. Through yeast mating of the haploid libraries, a very large heterodimeric immune Fab library was displayed on the diploids and high affinity antigen specific Fabs were isolated from the library. (C) 2004 Published by Elsevier B.V. on behalf of the Federation of European Biochemical Societies. C1 Pacific NW Natl Lab, MSIN K412,902 Battelle blvd,POB 999, Richland, WA 99352 USA. Univ Calif San Francisco, San Francisco Gen Hosp, Dept Anesthesia & Pharmaceut Chem, San Francisco, CA 94110 USA. RP Feldhaus, MJ (reprint author), Pacific NW Natl Lab, MSIN K412,902 Battelle blvd,POB 999, Richland, WA 99352 USA. EM marksj@anesthesia.ucsf.edu; michael.feldhaus@pnl.gov OI Siegel, Robert/0000-0002-0833-5580 FU NCI NIH HHS [U54 CA90788]; NIAID NIH HHS [U01 AI056493, R21 AI53389-01] NR 28 TC 50 Z9 53 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0014-5793 J9 FEBS LETT JI FEBS Lett. PD APR 23 PY 2004 VL 564 IS 1-2 BP 24 EP 34 DI 10.1016/S0014-5793(04)00309-6 PG 11 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 815GY UT WOS:000221032000006 PM 15094038 ER PT J AU Chao, Y Fu, D AF Chao, Y Fu, D TI Thermodynamic studies of the mechanism of metal binding to the Escherichia coli zinc transporter YiiP SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ISOTHERMAL TITRATION CALORIMETRY; DIFFUSION FACILITATOR FAMILY; ANTIPORT MECHANISM; CONFERS RESISTANCE; PROTEIN; HOMEOSTASIS; INSIGHTS; EXCHANGE; MEMBER; ZITB AB Sequence homology of the Escherichia coli YiiP places it within the family of cation diffusion facilitators, a family of membrane transporters that play a central role in regulating cellular zinc homeostasis. Here we describe the first thermodynamic and mechanistic studies of metal binding to a cation diffusion facilitator. Isothermal titration calorimetric analyses of the purified YiiP and binding competitions among Zn2+, Cd2+, and Hg2+ revealed a mutually competitive binding site common to three metal ions and a set of noncompetitive binding sites, including one Cd2+ site, one Hg2+ site, and at least one Zn2+ site, to which the binding of Zn2+ exhibited partial inhibitions of both Cd2+ and Hg2+ bindings. Lowering the pH from 7.0 to 5.5 inhibited binding of Zn2+ and Cd2+ to the common site. Further, the enthalpy change of the Cd2+ binding to the common site was found to be related linearly to the ionization enthalpy of the pH buffer with a slope corresponding to the release of 1.23 H+ for each Cd2+ binding. These H+ effects are consistent with a coupled deprotonation process upon binding of Zn2+ and Cd2+. Modification of histidine residues by diethyl pyrocarbonate specifically inhibited Zn2+ binding to the common binding site, indicating that the mechanism of binding-deprotonation coupling involves a histidine residue(s). C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Fu, D (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM dax@bnl.gov FU NIGMS NIH HHS [R01 GM65137] NR 31 TC 60 Z9 62 U1 0 U2 17 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 23 PY 2004 VL 279 IS 17 BP 17173 EP 17180 DI 10.1074/jbc.M400208200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 812WU UT WOS:000220870400037 PM 14960568 ER PT J AU Malmon, DV Reneau, SL Dunne, T AF Malmon, DV Reneau, SL Dunne, T TI Sediment sorting and transport by flash floods SO JOURNAL OF GEOPHYSICAL RESEARCH-EARTH SURFACE LA English DT Article DE flash floods; sediment sorting; sediment transport; ephemeral channels; geomorphology of southwestern United States ID PONDEROSA PINE HILLSLOPE; SUSPENDED SEDIMENT; EPHEMERAL STREAM; NEW-MEXICO; EROSION; RUNOFF; WATERSHEDS; CATCHMENTS; FREQUENCY; DISCHARGE AB [1] Flash floods partition the sediment load of arid and semiarid watersheds into components that travel at different rates through the fluvial system and are deposited in characteristic settings. This paper examines sediment sorting and transport by flash floods within a small, sand-dominated alluvial valley in a semiarid environment, upper Los Alamos Canyon, New Mexico. Floods in the study area partition the sediment load into two distinct facies: a coarse-grained facies that travels near the channel bed and a fine-grained facies that travels in suspension. The particle size distributions of channel and floodplain deposits resemble the measured textures of the bed load and suspended load, respectively. Calculations predict that typical flows sort the load into the same two fractions observed in the field. Whereas the transport rate of the coarse fraction depends on flow transport capacity, transport of the fine fraction is controlled by its supply. The long-term discharge of both fractions is estimated by integrating instantaneous transport relationships over the probability distribution of flows. Over several decades the computed fluxes of the two fractions are approximately the same. Most of the load in both fractions is transported during small to moderate events that occur more than once per year. However, the two fractions are distinct because they are supplied by different sources, transported by different mechanisms, and stored in distinct locations in the valley floor. Sediment sorting by flash floods is an important mechanism in constructing floodplains and in determining the residence times of various particle size classes in alluvial valleys. C1 Univ Calif Santa Barbara, Dept Geol Sci, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Environm Geol & Spatial Anal Grp, Los Alamos, NM 87545 USA. Univ Calif Santa Barbara, Donald Bren Sch Environm Sci & Management, Santa Barbara, CA 93106 USA. RP Malmon, DV (reprint author), Univ Calif Santa Barbara, Dept Geol Sci, Santa Barbara, CA 93106 USA. EM malmon@bren.ucsb.edu; sreneau@lanl.gov; tdunne@bren.ucsb.edu RI Dunne, Thomas/B-6374-2014 OI Dunne, Thomas/0000-0002-5281-6517 NR 59 TC 16 Z9 16 U1 1 U2 27 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-EARTH JI J. Geophys. Res.-Earth Surf. PD APR 23 PY 2004 VL 109 IS F2 AR F02005 DI 10.1029/2003JF000067 PG 13 WC Geosciences, Multidisciplinary SC Geology GA 863OI UT WOS:000224570900001 ER PT J AU Sam, MD Cascio, D Johnson, RC Clubb, RT AF Sam, MD Cascio, D Johnson, RC Clubb, RT TI Crystal structure of the excisionase-DNA complex from bacteriophage lambda SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE protein-DNA complex; DNA architectural protein; winged-helix protein; phage excision; site-specific DNA recombination ID SITE-SPECIFIC RECOMBINATION; TURN-HELIX MOTIF; XIS PROTEIN; FIS PROTEIN; INTEGRATIVE RECOMBINATION; MACROMOLECULAR STRUCTURES; EXCISIVE RECOMBINATION; ELECTRON-DENSITY; ATTACHMENT SITE; BINDING DOMAIN AB The excisionase (Xis) protein from bacteriophage lambda is the best characterized member of a large family of recombination directionality factors that control integrase-mediated DNA rearrangements. It triggers phage excision by cooperatively binding to sites X1 and X2 within the phage, bending DNA significantly and recruiting the phage-encoded integrase (Int) protein to site P2. We have determined the co-crystal structure of Xis with its X2 DNA-binding site at 1.7 Angstrom resolution. Xis forms a unique winged-helix motif that interacts with the major and minor grooves of its binding site using an alpha-helix and an ordered beta-hairpin (wing), respectively. Recognition is achieved through an elaborate water-mediated hydrogen-bonding network at the major groove interface while the preformed hairpin forms largely non-specific interactions with the minor groove. The structure of the complex provides insights into how Xis recruits Int cooperatively, and suggests a plausible mechanism by which it may distort longer DNA fragments significantly It reveals a surface on the protein that is likely to mediate Xis-Xis interactions required for its cooperative binding to DNA. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, DOE, Inst Genom & Proteom, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Sch Med, Dept Biol Chem, Los Angeles, CA 90095 USA. RP Clubb, RT (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90095 USA. EM rclubb@mbi.ucla.edu FU NIGMS NIH HHS [GM38509, GM57487] NR 60 TC 41 Z9 44 U1 0 U2 2 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 23 PY 2004 VL 338 IS 2 BP 229 EP 240 DI 10.1016/j.jmb.2004.02.053 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 813PN UT WOS:000220919100004 PM 15066428 ER PT J AU Jacob, J Krantz, B Dothager, RS Thiyagarajan, P Sosnick, TR AF Jacob, J Krantz, B Dothager, RS Thiyagarajan, P Sosnick, TR TI Early collapse is not an obligate step in protein folding SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Review DE protein folding; small-angle X-ray scattering; circular dichroism; kinetics; polyproline II ID X-RAY-SCATTERING; INITIAL HYDROPHOBIC COLLAPSE; INTRAMOLECULAR CONTACT FORMATION; CIRCULAR-DICHROISM SPECTROSCOPY; COMMON-TYPE ACYLPHOSPHATASE; RANDOM COIL CONFORMATION; POLYPROLINE-II STRUCTURE; SMALL-ANGLE SCATTERING; RATE-LIMITING STEP; CYTOCHROME-C AB The dimensions and secondary structure content of two proteins which fold in a two-state manner are measured within milliseconds of denaturant dilution using synchrotron-based, stopped-flow small-angle X-ray scattering and far-UV circular dichroism spectroscopy. Even upon a jump to strongly native conditions, neither ubiquitin nor common-type acylphosphatase contract prior to the major folding event. Circular dichroism and fluorescence indicate that negligible amounts of secondary and tertiary structures form in the burst phase. Thus, for these two denatured states, collapse and secondary structure formation are not energetically downhill processes even under aqueous, low-denaturant conditions. In addition, water appears to be as good a solvent as that with high concentrations of denaturant, when considering the over-all dimensions of the denatured state. However, the removal of denaturant does subtly alter the distribution of backbone dihedral phi,psi angles, most likely resulting in a shift from the polyproline II region to the helical region of the Ramachandran map. We consider the thermodynamic origins of these behaviors along with implications for folding mechanisms and computer simulations thereof. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Chicago, Inst Biophys Dynam, Chicago, IL 60637 USA. RP Sosnick, TR (reprint author), Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. EM trsosnic@midway.uchicago.edu RI ID, BioCAT/D-2459-2012; OI Krantz, Bryan/0000-0002-4911-5824 FU NCRR NIH HHS [RR-08630] NR 104 TC 83 Z9 83 U1 0 U2 11 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 23 PY 2004 VL 338 IS 2 BP 369 EP 382 DI 10.1016/j.jmb.2004.02.065 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 813PN UT WOS:000220919100014 PM 15066438 ER PT J AU Petrone, PM Garcia, AE AF Petrone, PM Garcia, AE TI MHC-peptide binding is assisted by bound water molecules SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE hydration free energy; entropy driven binding; Gaussian model; water coordination; principal component analysis ID HISTOCOMPATIBILITY ANTIGEN HLA-A2; FREE-ENERGY; DYNAMICS; PROTEIN; COMPLEX; STABILITY; BETA-2-MICROGLOBULIN; SIMULATIONS; HETERODIMER; RESOLUTION AB Water plays an important role in determining the high affinity of epitopes to the class I MHC complex. To study the energy and dynamics of water interactions in the complex we performed molecular dynamics simulation of the class I MHC-HLA2 complex bound to the HIV reverse transcriptase epitope, ILKEPVHGV, and in the absence of the epitope. Each simulation was extended for 5 ns. We studied the processes of water penetration in the interface between MHC and peptide, and identified 14 water molecules that stay bound for periods longer than 1 ns in regions previously identified by crystallography. These water molecules in the interface perform definite "tasks" contributing to the binding energy: hydrogen bond bridges between MHC and peptide and filling empty spaces in the groove which enhance affinity without contributing to epitope specificity We calculate the binding energy for interfacial water molecules and find that there is an overall gain in free energy resulting from the formation of water clusters at the epitope-MHC interface. Water molecules serving the task of filling empty spaces bind at the interface with a net gain in entropy, relative to their entropy in bulk. We conclude that water molecules at the interface play the role of active mediators in the MHC-peptide interaction, and might be responsible for the large binding affinity of the MHC complex to a large number of epitope sequences. (C) 2004 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Garcia, AE (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, T-10 MS K710, Los Alamos, NM 87545 USA. EM angel@t10.lanl.gov NR 54 TC 61 Z9 63 U1 1 U2 7 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 23 PY 2004 VL 338 IS 2 BP 419 EP 435 DI 10.1016/j.jmb.2004.02.039 PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 813PN UT WOS:000220919100017 PM 15066441 ER PT J AU Timchalk, C Poet, TS Kousba, AA Campbell, JA Lin, YH AF Timchalk, C Poet, TS Kousba, AA Campbell, JA Lin, YH TI Noninvasive biomonitoring approaches to determine dosimetry and risk following acute chemical exposure: Analysis of lead or organophosphate insecticide in saliva SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES LA English DT Article; Proceedings Paper CT Annual Conference on Toxicology and Risk Assessment CY APR 28-MAY 01, 2003 CL Fairborn, OH ID PHARMACODYNAMIC MODEL; PHARMACOKINETIC MODEL; PLASMA-CONCENTRATION; TOXIC METALS; RATS; CHLORPYRIFOS; PESTICIDES; EXCRETION; URINE; DRUGS AB There is a need to develop approaches for assessing risk associated with acute exposures to a broad range of metals and chemical agents and to rapidly determine the potential implications to human health. Noninvasive biomonitoring approaches are being developed using reliable portable analytical systems to quantitate dosimetry utilizing readily obtainable body fluids, such as saliva. Saliva has been used to evaluate a broad range of biomarkers, drugs, and environmental contaminants, including heavy metals and pesticides. To advance the application of noninvasive biomonitoring a microfluidic/electrochemical device has also been developed for the analysis of lead (Pb), using square-wave anodic stripping voltametry. The system demonstrates a linear response over a broad concentration range (1-2000 ppb) and is capable of quantitating saliva Pb in rats orally administered acute doses of Pb acetate. Appropriate pharmacokinetic analyses have been used to quantitate systemic dosimetry based on determination of saliva Pb concentrations. In addition, saliva has recently been used to quantitate dosimetry following exposure to the organophosphate insecticide chlorpyrifos in a rodent model system by measuring the major metabolite, trichloropyridinol, and saliva cholinesterase inhibition following acute exposures. These results suggest that technology developed for noninvasive biomonitoring can provide a sensitive and portable analytical tool capable of assessing exposure and risk in real-time. By coupling these noninvasive technologies with pharmacokinetic modeling it is feasible to rapidly quantitate acute exposure to a broad range of chemical agents. In summary, it is envisioned that once fully developed, these monitoring and modeling approaches will be useful for evaluating acute exposure and health risk. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Timchalk, C (reprint author), Pacific NW Natl Lab, MSIN P7-59,902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM charles.timchalk@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU NIEHS NIH HHS [1 R01 ES010976-01A2]; NIOSH CDC HHS [1 R01 OH03629-01A2] NR 48 TC 25 Z9 26 U1 1 U2 12 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 PD APR 23 PY 2004 VL 67 IS 8-10 BP 635 EP 650 DI 10.1080/15287390490428035 PG 16 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 814CI UT WOS:000220952400004 PM 15192859 ER PT J AU Yang, YT Jun, CD Liu, JH Zhang, RG Joachimiak, A Springer, TA Wang, JH AF Yang, YT Jun, CD Liu, JH Zhang, RG Joachimiak, A Springer, TA Wang, JH TI Structural basis for dimerization of ICAM-1 on the cell surface SO MOLECULAR CELL LA English DT Article ID INTERCELLULAR-ADHESION MOLECULE-1; IMMUNOLOGICAL SYNAPSE; CRYSTAL-STRUCTURE; LFA-1; DOMAINS; INTEGRINS; RECEPTOR; CLONING; BINDING; RECOGNITION AB We have determined the 3.0 Angstrom crystal structure of the three C-terminal domains 3-5 (D3-D5) of ICAM-1. Combined with the previously known N-terminal two-domain structure (D1D2), a model of an entire ICAM-1 extracellular fragment has been constructed. This model should represent a general architecture of other ICAM family members, particularly ICAM-3 and ICAM-5. The observed intimate dimerization interaction at D4 and a stiff D4-D5 stem-like architecture provide a good structural explanation for the existence of preformed ICAM-1 cis dimers on the cell membrane. Together with another dimerization interface at D1, a band-like one-dimensional linear cluster of ICAM-1 on an antigen-presenting cell (APC) surface can be envisioned, which might explain the formation of an immunological synapse between an activated T cell and APC which is critical for T cell receptor signaling. C1 Ctr Blood Res, Boston, MA 02115 USA. Dana Farber Canc Inst, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dept Med, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dept Pathol, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dept Pediat, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dept Biol Chem, Boston, MA 02115 USA. Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Springer, TA (reprint author), Ctr Blood Res, 800 Huntington Ave, Boston, MA 02115 USA. EM springer@cbr.med.harvard.edu; jwang@red.dfci.harvard.edu FU NHLBI NIH HHS [HL48675] NR 28 TC 64 Z9 68 U1 0 U2 4 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD APR 23 PY 2004 VL 14 IS 2 BP 269 EP 276 DI 10.1016/S1097-2765(04)00204-7 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 815OK UT WOS:000221051400014 PM 15099525 ER PT J AU Bennett, GW Bousquet, B Brown, HN Bunce, G Carey, RM Cushman, P Danby, GT Debevec, PT Deile, M Deng, H Dhawan, SK Druzhinin, VP Duong, L Farley, FJM Fedotovich, GV Gray, FE Grigoriev, D Grosse-Perdekamp, M Grossmann, A Hare, MF Hertzog, DW Huang, X Hughes, VW Iwasaki, M Jungmann, K Kawall, D Khazin, BI Krienen, F Kronkvist, I Lam, A Larsen, R Lee, YY Logashenko, I McNabb, R Meng, W Miller, JP Morse, WM Nikas, D Onderwater, CJG Orlov, Y Ozben, CS Paley, JM Peng, Q Polly, CC Pretz, J Prigl, R Putlitz, GZ Qian, T Redin, SI Rind, O Roberts, BL Ryskulov, N Semertzidis, YK Shagin, P Shatunov, YM Sichtermann, EP Solodov, E Sossong, M Sulak, LR Trofimov, A von Walter, P Yamamoto, A AF Bennett, GW Bousquet, B Brown, HN Bunce, G Carey, RM Cushman, P Danby, GT Debevec, PT Deile, M Deng, H Dhawan, SK Druzhinin, VP Duong, L Farley, FJM Fedotovich, GV Gray, FE Grigoriev, D Grosse-Perdekamp, M Grossmann, A Hare, MF Hertzog, DW Huang, X Hughes, VW Iwasaki, M Jungmann, K Kawall, D Khazin, BI Krienen, F Kronkvist, I Lam, A Larsen, R Lee, YY Logashenko, I McNabb, R Meng, W Miller, JP Morse, WM Nikas, D Onderwater, CJG Orlov, Y Ozben, CS Paley, JM Peng, Q Polly, CC Pretz, J Prigl, R Putlitz, GZ Qian, T Redin, SI Rind, O Roberts, BL Ryskulov, N Semertzidis, YK Shagin, P Shatunov, YM Sichtermann, EP Solodov, E Sossong, M Sulak, LR Trofimov, A von Walter, P Yamamoto, A TI Measurement of the negative muon anomalous magnetic moment to 0.7 ppm SO PHYSICAL REVIEW LETTERS LA English DT Article ID STORAGE-RING MAGNET; G-2 EXPERIMENT; FREQUENCY; FIELD; NMR AB The anomalous magnetic moment of the negative muon has been measured to a precision of 0.7 ppm (ppm) at the Brookhaven Alternating Gradient Synchrotron. This result is based on data collected in 2001, and is over an order of magnitude more precise than the previous measurement for the negative muon. The result a(mu)(-)=11 659 214(8)(3)x10(-10) (0.7 ppm), where the first uncertainty is statistical and the second is systematic, is consistent with previous measurements of the anomaly for the positive and the negative muon. The average of the measurements of the muon anomaly is a(mu)(exp)=11 659 208(6)x10(-10) (0.5 ppm). C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Boston Univ, Dept Phys, Boston, MA 02215 USA. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Cornell Univ, Newman Lab, Ithaca, NY 14853 USA. Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. Univ Heidelberg, Inst Phys, D-69120 Heidelberg, Germany. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 3050801, Japan. Univ Minnesota, Dept Phys, Minneapolis, MN 55455 USA. Tokyo Inst Technol, Tokyo 152, Japan. Yale Univ, Dept Phys, New Haven, CT 06520 USA. RP Bennett, GW (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI Jungmann, Klaus/A-7142-2010; jungmann, klaus/H-1581-2013; Semertzidis, Yannis K./N-1002-2013; Logashenko, Ivan/A-3872-2014; Iwasaki, Masahiko/M-8433-2014 OI jungmann, klaus/0000-0003-0571-4072; Iwasaki, Masahiko/0000-0002-3460-9469 NR 20 TC 471 Z9 474 U1 0 U2 7 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 161802 DI 10.1103/PhysRevLett.92.161802 PG 5 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100014 PM 15169217 ER PT J AU Creutz, M AF Creutz, M TI Ambiguities in the up-quark mass SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHIRAL SYMMETRY-BREAKING; ABELIAN GAUGE THEORIES; ANOMALOUS DIMENSION; FIELD THEORY; LATTICE; RATIOS; BEHAVIOR AB It has long been known that no physical singularity is encountered as up-quark mass is adjusted from small positive to negative values as long as all other quarks remain massive. This is tied to an additive ambiguity in the definition of the quark mass. This calls into question the acceptability of attempts to solve the strong CP problem via a vanishing mass for the lightest quark. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 33 TC 32 Z9 32 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 162003 DI 10.1103/PhysRevLett.92.162003 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100017 PM 15169220 ER PT J AU Fournier, KB Constantin, C Poco, J Miller, MC Back, CA Suter, LJ Satcher, J Davis, J Grun, J AF Fournier, KB Constantin, C Poco, J Miller, MC Back, CA Suter, LJ Satcher, J Davis, J Grun, J TI Efficient multi-keV x-ray sources from Ti-doped aerogel targets SO PHYSICAL REVIEW LETTERS LA English DT Article ID LASER-PRODUCED PLASMAS; PULSE-WIDTH; SCATTERING; BRIGHTNESS; IONIZATION; EMISSION AB We have measured the production of hnuapproximate to4.7 keV x rays from low-density Ti-doped aerogel (rhoapproximate to3 mg/cc) targets at the OMEGA laser facility (University of Rochester), with the goal of maximizing x-ray output. Forty OMEGA beams (lambda(L)=0.351 mum) illuminated the two cylindrical faces of the target with a total power that ranged from 7 to 14 TW. The laser fully ionizes the target (n(e)/n(crit)less than or equal to0.1), and a laser-bleaching wave excites, supersonically, the high-Z emitter ions in the sample. Ti K-shell x-ray emission was spectrally resolved with a two-channel crystal spectrometer and also with a set of filtered aluminum x-ray diodes; both instruments provide absolute measurement of the multi-keV x-ray emission. We find between 40 and 260 J of output with 4.67less than or equal tohnuless than or equal to5.0 keV. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Alme & Associates, Alexandria, VA 22303 USA. USN, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fournier, KB (reprint author), Lawrence Livermore Natl Lab, POB 808,L-41, Livermore, CA 94550 USA. NR 24 TC 62 Z9 67 U1 2 U2 16 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 165005 DI 10.1103/PhysRevLett.92.165005 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100038 PM 15169241 ER PT J AU Mannella, N Rosenhahn, A Booth, CH Marchesini, S Mun, BS Yang, SH Ibrahim, K Tomioka, Y Fadley, CS AF Mannella, N Rosenhahn, A Booth, CH Marchesini, S Mun, BS Yang, SH Ibrahim, K Tomioka, Y Fadley, CS TI Direct observation of high-temperature polaronic behavior in colossal magnetoresistive manganites SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHASE-SEPARATION; LA1-XSRXMNO3; DISTORTIONS; TRANSITION; SPECTRA; MN AB The temperature dependence of the electronic and atomic structure of the colossal magnetoresistive oxides La1-xSrxMnO3 (x=0.3, 0.4) has been studied using core and valence level photoemission, x-ray absorption and emission, and extended x-ray absorption fine structure spectroscopy. A dramatic and reversible change of the electronic structure is observed on crossing the Curie temperature, including charge localization on and spin-moment increase of Mn, together with Jahn-Teller distortions, both signatures of polaron formation. Our data are also consistent with a phase-separation scenario. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Beijing Synchrotron Radiat Lab, Beijing, Peoples R China. Correlated Electron Res Ctr, Tsukuba, Ibaraki, Japan. RP Mannella, N (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM norman@electron.lbl.gov RI Booth, Corwin/A-7877-2008; Marchesini, Stefano/A-6795-2009; Rosenhahn, Axel/F-7319-2011; Mun, Bongjin /G-1701-2013 OI Rosenhahn, Axel/0000-0001-9393-7190; NR 22 TC 70 Z9 72 U1 0 U2 12 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 166401 DI 10.1103/PhysRevLett.92.166401 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100046 PM 15169249 ER PT J AU Power, JG Gai, W Gold, SH Kinkead, AK Konecny, R Jing, C Liu, W Yusof, Z AF Power, JG Gai, W Gold, SH Kinkead, AK Konecny, R Jing, C Liu, W Yusof, Z TI Observation of multipactor in an alumina-based dielectric-loaded accelerating structure SO PHYSICAL REVIEW LETTERS LA English DT Article ID DISCHARGE AB We report a new regime of single-surface multipactor that was observed during high-power testing of an 11.424-GHz alumina-based dielectric-loaded accelerating structure. Previous experimental observations of single-surface multipactor on a dielectric occurred in cases for which the rf electric field was tangential and the rf power flow was normal to the dielectric surface (such as on rf windows) and found that the fraction of power absorbed at saturation is similar to1%, independent of the incident power. In this new regime, in which strong normal and tangential rf electric fields are present and the power flow is parallel to the surface, the fraction of power absorbed at saturation is an increasing function of the incident power, and more than half of the incident power can be absorbed. A simple model is presented to explain the experimental results. C1 Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. USN, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. LET Corp, Washington, DC 20007 USA. RP Power, JG (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. NR 14 TC 56 Z9 57 U1 0 U2 9 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 164801 DI 10.1103/PhysRevLett.92.164801 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100033 PM 15169236 ER PT J AU Schiffer, JP Freeman, SJ Caggiano, JA Deibel, C Heinz, A Jiang, CL Lewis, R Parikh, A Parker, PD Rehm, KE Sinha, S Thomas, JS AF Schiffer, JP Freeman, SJ Caggiano, JA Deibel, C Heinz, A Jiang, CL Lewis, R Parikh, A Parker, PD Rehm, KE Sinha, S Thomas, JS TI Is the nuclear spin-orbit interaction changing with neutron excess? SO PHYSICAL REVIEW LETTERS LA English DT Article ID SINGLE-PARTICLE; MASS FORMULA; DRIP-LINE; R-PROCESS; REGION; SN-132; SB-133; STATE AB The difference in the energies of the lowest states corresponding to the two nodeless single-particle orbitals outside the Z=50 closed proton shell, h(11/2) and g(7/2), increases with neutron excess. We have measured the Sn(alpha,t) reaction for all seven stable even Sn isotopes and found that the spectroscopic factors are constant for these two states, confirming their characterization as single-particle states. The trend in energies is consistent with a decrease in the nuclear spin-orbit interaction. A similar trend, also suggesting a decreasing spin-orbit splitting, is seen in the energies of the neutron single-particle states outside the N=82 core, i(13/2) and h(9/2). C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Yale Univ, New Haven, CT 06520 USA. Rutgers State Univ, Piscataway, NJ 08854 USA. RP Schiffer, JP (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Freeman, Sean/B-1280-2010; Heinz, Andreas/E-3191-2014 OI Freeman, Sean/0000-0001-9773-4921; NR 20 TC 119 Z9 123 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 162501 DI 10.1103/PhysRevLett.92.162501 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100019 PM 15169222 ER PT J AU Weber, T Czasch, A Jagutzki, O Muller, A Mergel, V Kheifets, A Feagin, J Rotenberg, E Meigs, G Prior, MH Daveau, S Landers, AL Cocke, CL Osipov, T Schmidt-Bocking, H Dorner, R AF Weber, T Czasch, A Jagutzki, O Muller, A Mergel, V Kheifets, A Feagin, J Rotenberg, E Meigs, G Prior, MH Daveau, S Landers, AL Cocke, CL Osipov, T Schmidt-Bocking, H Dorner, R TI Fully differential cross sections for photo-double-ionization of D-2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID DOUBLE-PHOTOIONIZATION; HYDROGEN MOLECULE; SELECTION-RULES; HE AB We report the first kinematically complete study of the four-body fragmentation of the D-2 molecule following absorption of a single photon. For equal energy sharing of the two electrons and a photon energy of 75.5 eV, we observed the relaxation of one of the selection rules valid for He photo-double-ionization and a strong dependence of the electron angular distribution on the orientation of the molecular axis. This effect is reproduced by a model in which a pair of photoionization amplitudes is introduced for the light polarization parallel and perpendicular to the molecular axis. C1 Goethe Univ Frankfurt, Inst Kernphys, D-60486 Frankfurt, Germany. Australian Natl Univ, Res Sch Phys Sci & Engn, Canberra, ACT 0200, Australia. Calif State Univ Fullerton, Dept Phys, Fullerton, CA 92834 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. RP Goethe Univ Frankfurt, Inst Kernphys, D-60486 Frankfurt, Germany. EM doerner@hsb.uni-frankfurt.de RI Kheifets, Anatoli/C-9131-2009; Rotenberg, Eli/B-3700-2009; Doerner, Reinhard/A-5340-2008; Landers, Allen/C-1213-2013; Weber, Thorsten/K-2586-2013 OI Kheifets, Anatoli/0000-0001-8318-9408; Rotenberg, Eli/0000-0002-3979-8844; Doerner, Reinhard/0000-0002-3728-4268; Weber, Thorsten/0000-0003-3756-2704 NR 18 TC 60 Z9 60 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 23 PY 2004 VL 92 IS 16 AR 163001 DI 10.1103/PhysRevLett.92.163001 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RZ UT WOS:000220993100020 PM 15169223 ER PT J AU Fan, HY Yang, K Boye, DM Sigmon, T Malloy, KJ Xu, HF Lopez, GP Brinker, CJ AF Fan, HY Yang, K Boye, DM Sigmon, T Malloy, KJ Xu, HF Lopez, GP Brinker, CJ TI Self-assembly of ordered, robust, three-dimensional gold nanocrystal/silica arrays SO SCIENCE LA English DT Article ID QUANTUM DOTS; OPTICAL GAIN; NANOPARTICLES; SUPERLATTICES; ORGANIZATION; MESOPHASES; TRANSPORT; FILMS; DNA AB We report the synthesis of a new nanocrystal (NC) mesophase through self-assembly of water-soluble NC micelles with soluble silica. The mesophase comprises gold nanocrystals arranged within a silica matrix in a face-centered cubic lattice with cell dimensions that are adjustable through control of the nanocrystal diameter and/or the alkane chain lengths of the primary alkanethiol stabilizing ligands or the surrounding secondary surfactants. Under kinetically controlled silica polymerization conditions, evaporation drives self-assembly of NC micelles into ordered NC/silica thin-film mesophases during spin coating. The intermediate NC micelles are water soluble and of interest for biolabeling. Initial experiments on a metal-insulator-metal capacitor fabricated with an ordered three-dimensional gold nanocrystal/silica array as the "insulator" demonstrated collective Coulomb blockade behavior below 100 kelvin and established the current-voltage scaling relationship for a well-defined three-dimensional array of Coulomb islands. C1 Sandia Natl Labs, Cham Synth & Nanomat Dept, Adv Mat Lab, Albuquerque, NM 87106 USA. Univ New Mexico, NSF, Ctr Microengn Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87131 USA. Davidson Coll, Dept Phys, Davidson, NC 28035 USA. RP Fan, HY (reprint author), Sandia Natl Labs, Cham Synth & Nanomat Dept, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM hfan@sandia.gov; cjbrink@sandia.gov RI Malloy, Kevin/E-5994-2010 NR 27 TC 407 Z9 412 U1 19 U2 184 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 23 PY 2004 VL 304 IS 5670 BP 567 EP 571 DI 10.1126/science.1095140 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 814LB UT WOS:000220975100043 PM 15105495 ER PT J AU Valone, SM Atlas, SR AF Valone, SM Atlas, SR TI An empirical charge transfer potential with correct dissociation limits SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; DENSITY-FUNCTIONAL THEORY; EMBEDDED-ATOM POTENTIALS; VALENCE-BOND MODEL; FORCE-FIELDS; ELECTRONEGATIVITY EQUALIZATION; UNIVERSAL FEATURES; ELECTRON-DENSITIES; INFORMATION-THEORY; DEFORMATION MODEL AB The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for large-scale simulations. A two-state model is explored. The main features of the model are: (1) explicit decomposition of the total system electron density is invoked; (2) the charge is defined through the density decomposition into constituent contributions; (3) the charge transfer behavior is controlled through the resonance energy matrix elements which cannot be ignored; and (4) a reference-state approach, similar in spirit to the EVB method, is used to define the resonance state energy contributions in terms of "knowable" quantities. With equal validity, the new potential energy can be expressed as a nonthermal ensemble average with a nonlinear but analytical charge dependence in the occupation number. Dissociation to neutral species for a gas-phase process is preserved. A variant of constrained search density functional theory is advocated as the preferred way to define an energy for a given charge. (C) 2004 American Institute of Physics. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. Univ New Mexico, Ctr Adv Studies, Albuquerque, NM 87131 USA. RP Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. NR 98 TC 26 Z9 26 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2004 VL 120 IS 16 BP 7262 EP 7273 DI 10.1063/1.1676118 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810AA UT WOS:000220676000004 PM 15267635 ER PT J AU Lischka, H Dallos, M Szalay, PG Yarkony, DR Shepard, R AF Lischka, H Dallos, M Szalay, PG Yarkony, DR Shepard, R TI Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID POTENTIAL-ENERGY SURFACES; DEPENDENT BASIS-SETS; MULTIPLIER CONSTRAINED PROCEDURE; WAVE-FUNCTIONS; CONICAL INTERSECTION; CROSSING SEAM; GRADIENT TECHNIQUES; MATRIX-ELEMENTS; PROGRAM SYSTEM; EXCITED-STATES AB An efficient and general method for the analytic computation of the nonandiabatic coupling vector at the multireference configuration interaction (MR-CI) level is presented. This method is based on a previously developed formalism for analytic MR-CI gradients adapted to the use for the computation of nonadiabatic coupling terms. As was the case for the analytic energy gradients, very general, separate choices of invariant orbital subspaces at the multiconfiguration self-consistent field and MR-CI levels are possible, allowing flexible selections of MR-CI wave functions. The computational cost for the calculation of the nonadiabatic coupling vector at the MR-CI level is far below the cost for the energy calculation. In this paper the formalism of the method is presented and in the following paper [Dallos , J. Chem. Phys. 120, 7330 (2004)] applications concerning the optimization of minima on the crossing seam are described. (C) 2004 American Institute of Physics. C1 Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria. Eotvos Lorand Univ, Dept Theoret Chem, H-1518 Budapest, Hungary. Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. Argonne Natl Lab, Div Chem, Theoret Chem Grp, Argonne, IL 60439 USA. RP Univ Vienna, Inst Theoret Chem & Struct Biol, Waehringer Guertel 18, A-1090 Vienna, Austria. EM hans.lischka@univie.ac.at RI Lischka, Hans/A-8802-2015; Szalay, Peter/C-8879-2015 OI Szalay, Peter/0000-0003-1885-3557 NR 46 TC 193 Z9 193 U1 0 U2 41 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2004 VL 120 IS 16 BP 7322 EP 7329 DI 10.1063/1.1668615 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810AA UT WOS:000220676000011 PM 15267642 ER PT J AU Dallos, M Lischka, H Shepard, R Yarkony, DR Szalay, PG AF Dallos, M Lischka, H Shepard, R Yarkony, DR Szalay, PG TI Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: Formaldehyde and the photodimerization of ethylene SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID POTENTIAL-ENERGY SURFACES; PHOTOCHEMICAL PERICYCLIC-REACTIONS; CORRELATED MOLECULAR CALCULATIONS; MULTIPLIER CONSTRAINED PROCEDURE; GAUSSIAN-BASIS SETS; CONICAL INTERSECTIONS; WAVE-FUNCTIONS; AB-INITIO; CONVERGENCE ACCELERATION; ORGANIC-PHOTOCHEMISTRY AB The method for the analytic calculation of the nonadiabatic coupling vector at the multireference configuration-interaction (MR-CI) level and its program implementation into the COLUMBUS program system described in the preceding paper [Lischka , J. Chem. Phys. 120, 7322 (2004)] has been combined with automatic searches for minima on the crossing seam (MXS). Based on a perturbative description of the vicinity of a conical intersection, a Lagrange formalism for the determination of MXS has been derived. Geometry optimization by direct inversion in the iterative subspace extrapolation is used to improve the convergence properties of the corresponding Newton-Raphson procedure. Three examples have been investigated: the crossing between the 1 B-1(1)/2 (1)A(1) valence states in formaldehyde, the crossing between the 2 (1)A(1)/3 (1)A(1) pi-pi(*) valence and n(y)-3p(y) Rydberg states in formaldehyde, and three crossings in the case of the photodimerization of ethylene. The methods developed allow MXS searches of significantly larger systems at the MR-CI level than have been possible before and significantly more accurate calculations as compared to previous complete-active space self-consistent field approaches. (C) 2004 American Institute of Physics. C1 Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria. Argonne Natl Lab, Div Chem, Theoret Chem Grp, Argonne, IL 60439 USA. Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. Eotvos Lorand Univ, Dept Theoret Chem, H-1518 Budapest, Hungary. RP Univ Vienna, Inst Theoret Chem & Struct Biol, Waehringer Guertel 18, A-1090 Vienna, Austria. EM hans.lischka@univie.ac.at RI Lischka, Hans/A-8802-2015; Szalay, Peter/C-8879-2015 OI Szalay, Peter/0000-0003-1885-3557 NR 57 TC 163 Z9 163 U1 1 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2004 VL 120 IS 16 BP 7330 EP 7339 DI 10.1063/1.1668631 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810AA UT WOS:000220676000012 PM 15267643 ER PT J AU Guo, R Balasubramanian, K AF Guo, R Balasubramanian, K TI Spectroscopic properties and potential energy curves of low-lying electronic states of RuC SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RELATIVISTIC EFFECTIVE POTENTIALS; SPIN-ORBIT OPERATORS; CI CALCULATIONS; MOLECULE; CONSTANTS; CARBIDE; SPECTRUM; MOC AB The RuC molecule has been a challenging species due to the open-shell nature of Ru resulting in a large number of low-lying electronic states. We have carried out state-of-the-art calculations using the complete active space multiconfiguration self-consistent field followed by multireference configuration interaction methods that included up to 18 million configurations, in conjunction with relativistic effects. We have computed 29 low-lying electronic states of RuC with different spin multiplicities and spatial symmetries with energy separations less than 38000 cm(-1). We find two very closely low-lying electronic states for RuC, viz., (1)Sigma(+) and (3)Delta with the (1)Sigma(+) being stabilized at higher levels of theory. Our computed spectroscopic constants and dipole moments are in good agreement with experiment although we have reported more electronic states than those that have been observed experimentally. Our computations reveal a strongly bound (1)Sigma(+) state with a large dipole moment which is most likely the experimentally observed ground state and an energetically close (3)Delta state with a smaller dipole moment. Overall our computed spectroscopic constants of the excited states with energy separations less than 18000 cm(-1) agree quite well with those of the corresponding observed states. (C) 2004 American Institute of Physics. C1 Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glen T Seaborg Ctr, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 94550 USA. EM kbala@ucdavis.edu RI Guo, Rui/F-2384-2012 NR 26 TC 10 Z9 10 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2004 VL 120 IS 16 BP 7418 EP 7425 DI 10.1063/1.1688755 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810AA UT WOS:000220676000021 PM 15267652 ER PT J AU Rustad, JR Rosso, KM Felmy, AR AF Rustad, JR Rosso, KM Felmy, AR TI Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: Calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID AB-INITIO; CHROMIUM(VI) REDUCTION; WATER; SIMULATION; EXCHANGE; MODEL; IRON(II); SURFACES; PRODUCTS; KINETICS AB We present a molecular model for ferrous-ferric electron transfer in an aqueous solution that accounts for electronic polarizability and exhibits spontaneous cation hydrolysis. An extended Lagrangian technique is introduced for carrying out calculations of electron-transfer barriers in polarizable systems. The model predicts that the diabatic barrier to electron transfer increases with increasing pH, due to stabilization of the Fe3+ by fluctuations in the number of hydroxide ions in its first coordination sphere, in much the same way as the barrier would increase with increasing dielectric constant in the Marcus theory. We have also calculated the effect of pH on the potential of mean force between two hydrolyzing ions in aqueous solution. As expected, increasing pH reduces the potential of mean force between the ferrous and ferric ions in the model system. The magnitudes of the predicted increase in diabatic transfer barrier and the predicted decrease in the potential of mean force nearly cancel each other at the canonical transfer distance of 0.55 nm. Even though hydrolysis is allowed in our calculations, the distribution of reorganization energies has only one maximum and is Gaussian to an excellent approximation, giving a harmonic free energy surface in the reorganization energy F(DeltaE) with a single minimum. There is thus a surprising amount of overlap in electron-transfer reorganization energies for Fe2+-Fe(H2O)(6)(3+), Fe2+-Fe(OH)(H2O)(5)(2+), and Fe2+-Fe(OH)(2)(H2O)(+) couples, indicating that fluctuations in hydrolysis state can be viewed on a continuum with other solvent contributions to the reorganization energy. There appears to be little justification for thinking of the transfer rate as arising from the contributions of different hydrolysis states. Electronic structure calculations indicate that Fe(H2O)(6)(2+)-Fe(OH)(n)(H2O)(6-n)((3-n)+) complexes interacting through H3O2- bridges do not have large electronic couplings. (C) 2004 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rustad, JR (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 31 TC 31 Z9 31 U1 6 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2004 VL 120 IS 16 BP 7607 EP 7615 DI 10.1063/1.1687318 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810AA UT WOS:000220676000042 PM 15267673 ER PT J AU Aizen, VB Aizen, EM Melack, JM Kreutz, KJ Cecil, LD AF Aizen, VB Aizen, EM Melack, JM Kreutz, KJ Cecil, LD TI Association between atmospheric circulation patterns and firn-ice core records from the Inilchek glacierized area, central Tien Shan, Asia SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE Tien Shan ice core; geochemistry; isotopes; atmospheric circulation ID AIR-TEMPERATURE; NORTH-ATLANTIC; PRECIPITATION; CLIMATE; DELTA-O-18; ISOTOPES AB [1] Glacioclimatological research in the central Tien Shan was performed in the summers of 1998 and 1999 on the South Inilchek Glacier at 5100 - 5460 m. A 14.36 m firn-ice core and snow samples were collected and used for stratigraphic, isotopic, and chemical analyses. The firn-ice core and snow records were related to snow pit measurements at an event scale and to meteorological data and synoptic indices of atmospheric circulation at annual and seasonal scales. Linear relationships between the seasonal air temperature and seasonal isotopic composition in accumulated precipitation were established. Changes in the delta(18)O air temperature relationship, in major ion concentration and in the ratios between chemical species, were used to identify different sources of moisture and investigate changes in atmospheric circulation patterns. Precipitation over the central Tien Shan is characterized by the lowest ionic content among the Tien Shan glaciers and indicates its mainly marine origin. In seasons of minimum precipitation, autumn and winter, water vapor was derived from the arid and semiarid regions in central Eurasia and contributed annual maximal solute content to snow accumulation in Tien Shan. The lowest content of major ions was observed in spring and summer layers, which represent maximum seasonal accumulation when moisture originates over the Atlantic Ocean and Mediterranean and Black Seas. C1 Univ Idaho, Dept Geog, Moscow, ID 83844 USA. Univ Maine, Inst Quaternary & Climate Studies, Stable Isotope Lab, Orono, ME 04469 USA. Univ Calif Santa Barbara, Donald Bren Sch Environm Sci & Management, Santa Barbara, CA 93106 USA. US Geol Survey, Div Water Resources, Idaho Falls, ID USA. RP Aizen, VB (reprint author), Univ Idaho, Dept Geog, POB 443025, Moscow, ID 83844 USA. EM aizen@uidaho.edu NR 55 TC 36 Z9 40 U1 2 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 22 PY 2004 VL 109 IS D8 AR D08304 DI 10.1029/2003JD003894 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 816BV UT WOS:000221086300001 ER PT J AU Rosso, KM Smith, DMA Wang, ZM Ainsworth, CC Fredrickson, JK AF Rosso, KM Smith, DMA Wang, ZM Ainsworth, CC Fredrickson, JK TI Self-exchange electron transfer kinetics and reduction potentials for anthraquinone disulfonate SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Review ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-ORBITAL METHODS; VALENCE BASIS-SETS; POLARIZABLE CONTINUUM MODEL; PORPHYRIN-QUINONE COMPOUNDS; ACETONE-MIXED-SOLVENT; REORGANIZATION ENERGIES; AQUEOUS-SOLUTION; RADICAL-ANIONS; NITROAROMATIC COMPOUNDS AB An electron transfer model for self-exchange reactions of 9, 10-anthraquinone-2,6-disulfonate (AQDS) in aqueous solution has been formulated by using a combination of density functional theory (DFT) calculations and Marcus theory. One-electron self-exchange reactions are predicted to be fast (log k approximate to 6-9 M-1 s(-1)) but not diffusion limited. The internal component of the reorganization energy makes a large contribution to the total reorganization energy and cannot be neglected. Analysis and theoretical extensions of crystal structure data led to predicted precursor complex structures that, in the end, yielded theoretical electron transfer rates in good agreement with experimental ones. Electron transfer distances in solution are predicted to be in the 7-9 Angstrom range. Calculated values of the electronic coupling matrix element indicate that the distinction between adiabatic and nonadiabatic electron transfer in this system likely occurs in this distance range as well. A set of reduction potentials was also produced by combining the density functional theory calculations with equilibrium expressions and the known acidity constants in the AQDS system. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Whitman Coll, Dept Phys, Walla Walla, WA 99362 USA. RP Rosso, KM (reprint author), Pacific NW Natl Lab, POB 999,K8-96, Richland, WA 99352 USA. EM kevin.rosso@pnl.gov RI Wang, Zheming/E-8244-2010 OI Wang, Zheming/0000-0002-1986-4357 NR 114 TC 30 Z9 31 U1 1 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 22 PY 2004 VL 108 IS 16 BP 3292 EP 3303 DI 10.1021/jp037134u PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813YQ UT WOS:000220942800009 ER PT J AU Anderson, KB Tranter, RS Tang, WY Brezinsky, K Harding, LB AF Anderson, KB Tranter, RS Tang, WY Brezinsky, K Harding, LB TI Speciation of C6H6 isomers by gas chromatography-matrix isolation Fourier transform infrared spectroscopy-mass spectrometry SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID VIBRATIONAL-SPECTRA; PROPARGYL RADICALS; SHOCK-TUBE; RECOMBINATION; REARRANGEMENT; FULVENE AB Isomeric C6H6 species produced by high-pressure shock tube pyrolysis of 1,5-hexadiyne have been investigated by gas chromatography-matrix isolation FTIR spectroscopy-mass spectrometry. In addition to benzene (stable end product) and 1,5-hexadiyne (starting material), six isomeric C6H6 species have been identified on the basis of spectroscopic characteristics. The results are consistent with theoretical predictions of stable species that will be formed in the pyrolysis of 1,5-hexadiyne and key species have been positively identified for the first time. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Illinois, Dept Mech Engn, Chicago, IL 60607 USA. Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. RP Anderson, KB (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kanderson@geo.siu.edu NR 16 TC 14 Z9 14 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 22 PY 2004 VL 108 IS 16 BP 3403 EP 3405 DI 10.1021/jp037311r PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813YQ UT WOS:000220942800023 ER PT J AU Tranter, RS Tang, WY Anderson, KB Brezinsky, K AF Tranter, RS Tang, WY Anderson, KB Brezinsky, K TI Shock tube study of thermal rearrangement of 1,5-hexadiyne over wide temperature and pressure regime SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PROPARGYL RADICALS; MASTER EQUATION; SELF-REACTION; C6H6 ISOMERS; RECOMBINATION; BENZENE; ISOMERIZATION; KINETICS; FULVENE; DECOMPOSITION AB The pyrolysis of 1,5-hexadiyne has been studied in a high-pressure single pulse shock tube to investigate the mechanisms involved in the production of benzene from propargyl radicals. Analysis of the reaction products by gas chromatography and matrix isolation Fourier transform infrared spectroscopy has positively identified six linear C6H6 species and two cyclic C6H6 Species. Of these species cis-1,3-hexadien-5-yne and trans-1,3-hexadiene-5-yne have been unambiguously identified for the first time and provide vital information concerning a low-temperature route to benzene that does not involve the formation of fulvene; however, the data also provide support for two high-temperature paths from propargyl radicals to benzene via fulvene. Thus experimental evidence has been gained that supports two different routes to benzene formation. The mechanisms and rate coefficients that have been obtained in this work are discussed. C1 Univ Illinois, Dept Mech Engn, Chicago, IL 60607 USA. Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Brezinsky, K (reprint author), Univ Illinois, Dept Mech Engn, 842 W Taylor St,M-C 251, Chicago, IL 60607 USA. EM Kenbrez@UIC.edu NR 39 TC 12 Z9 12 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 22 PY 2004 VL 108 IS 16 BP 3406 EP 3415 DI 10.1021/jp037310z PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813YQ UT WOS:000220942800024 ER PT J AU Dattelbaum, DM Martin, RL Schoonover, JR Meyer, TJ AF Dattelbaum, DM Martin, RL Schoonover, JR Meyer, TJ TI Molecular and electronic structure in the metal-to-ligand charge transfer excited states of fac-[Re(4,4 '-X(2)bpy)(CO)(3)(4-Etpy)](+)* (X = CH3, H, Co2Et). Application of density functional theory and time-resolved infrared spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RESONANCE RAMAN; POLYPYRIDYL COMPLEXES; VIBRATIONAL-SPECTRA; NONRADIATIVE DECAY; RHENIUM(I); ABSORPTION; LUMINESCENCE; TEMPERATURE; ORBITALS; PRODUCTS AB Density functional theory (DFT) calculations have been conducted on the ground and metal-to-ligand charge transfer (MLCT) excited states of the series fac-[Re(4,4'-X(2)bpy)(CO)(3)(4-Etpy)](PF6) (X = CH3, H, and CO,Et; 4-Etpy is 4-ethylpyridine). The energy gap varies across this series, influencing excited-state geometries and electronic structures. The DFT calculations assist in assioning v(CO) bands in the infrared and give insight into variations in the experimental values. The predicted bond length and angle changes in the excited state point to the importance of Re-CO sigma bond polarization in the excited states as well as pi*(4,4'-X-2-bpy)- pi*(CO) mixing suggested previously. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Assoc Lab Directors Off Strat Res, Los Alamos, NM 87545 USA. RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87545 USA. NR 47 TC 77 Z9 77 U1 2 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 22 PY 2004 VL 108 IS 16 BP 3518 EP 3526 DI 10.1021/jp037095m PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813YQ UT WOS:000220942800038 ER PT J AU Dattelbaum, DM Omberg, KM Hay, PJ Gebhart, NL Martin, RL Schoonover, JR Meyer, TJ AF Dattelbaum, DM Omberg, KM Hay, PJ Gebhart, NL Martin, RL Schoonover, JR Meyer, TJ TI Defining electronic excited states using time-resolved infrared spectroscopy and density functional theory calculations SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID INTRAMOLECULAR ENERGY-TRANSFER; TRANSITION-METAL COMPLEXES; CHARGE-TRANSFER; RESONANCE RAMAN; INVERTED REGION; VIBRATIONAL SPECTROSCOPY; TEMPERATURE-DEPENDENCE; POLYPYRIDYL COMPLEXES; RHENIUM(I) COMPLEXES; STRETCHING REGION AB Characteristic patterns of infrared bands in the 7,(CO) region have been observed in the time-resolved infrared (TRIR) spectra of fac-rhenium tricarbonyl complexes that allow for identification of transient states that result following laser flash excitation. These patterns can be interpreted by combining experimental TRIR data with density functional theory (DFT) calculations. The DFT calculations are particularly valuable as they provide vibrational energy shifts between the ground and excited states and an analysis of the electronic interactions in terms of the orbitals involved in the excitation. TRIR and DFT results for four different transient excited states. intraligand pi -->pi*, metal-to-ligand charge transfer (MLCT), intramolecular (dpi-Opi) --> pi* excited states, and a redox-separated (RS state), are presented here. A unique example of competing excited states Studied by TRIR is also presented. The complexes studied include fac-[Re-1(CO)3(Me(2)dppz)(4-Etpy)](+), fac-[Re-1(CO)(3)(bpy)(4-Etpy)](+),fac-[Re-1(CO)(3)(4,4'-(CH3)(2)bpy)(OQD)],fac-[Re-1(CO)(3)(Me(2)dppz)(py-PTZ)](+), and fac-[Re-1(CO)(3)(dppz)(py-PTZ)](+) (Me(2)ppz is dimethyl dipyrido[3,2-a:2',3'-c]phenazine; dppz is dipyrido[3,2-a:2',3'-c]phenazine; 4Etpy is 4-ethylpyridine; bpy is 2,2'-bipyridine; 4,4'-(CH3)(2)bpy is 4,4'-(CH3)-2,2'bipyridine: OQD is 1-methyl-6-oxyquinone; py-PTZ is 10-(4-picolyl)phenothiazine). In addition to the DFT studies on the lowest triplet states probed by TRIR spectroscopy, time-dependent DFT (TD-DFT) calculations were also performed to analyze several of the lowest singlet and triplet excited states for each of the complexes. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Assoc Director Strat Res, Los Alamos, NM 87545 USA. RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87545 USA. EM danadat@lanl.gov; schoons@lanl.gov RI Omberg, Kristin/I-5972-2013 NR 56 TC 80 Z9 80 U1 3 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 22 PY 2004 VL 108 IS 16 BP 3527 EP 3536 DI 10.1021/jp037096e PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813YQ UT WOS:000220942800039 ER PT J AU Talon, U Smith, LJ Brady, JW Lewis, BA Copley, JRD Price, DL Saboungi, ML AF Talon, U Smith, LJ Brady, JW Lewis, BA Copley, JRD Price, DL Saboungi, ML TI Dynamics of water molecules in glucose solutions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ELASTIC NEUTRON-SCATTERING; DIFFUSIVE MOTIONS AB The effects of the solution of glucose molecules on the dynamics of solvent water have been studied by quasielastic neutron scattering (QENS) measurements on solutions of selectively deuterated glucose in natural water. The data are fitted to two Lorentzians ascribed to pure translational and mixed translational and rotational character, respectively. The addition of the glucose to the water causes a substantial slowing down, by a factor 10 for the translational diffusion and 3-4 for the rotational motion at the highest concentration studied, 1:11 C6H12O6:H2O. The values obtained for water diffusion constants are consistent with previous QENS and NMR experiments on monosaccharide solutions but an order of magnitude higher than those derived from a recent molecular dynamics simulation. C1 Ctr Rech Mat Haute Temp, F-45071 Orleans 2, France. Ctr Rech Mat Divisee, F-45071 Orleans, France. Argonne Natl Lab, Argonne, IL 60439 USA. Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Price, DL (reprint author), Ctr Rech Mat Haute Temp, F-45071 Orleans 2, France. EM price@cnrs-orleans.fr RI Lewis, Barbara-Ann/B-7027-2009; Price, David Long/A-8468-2013; Saboungi, Marie-Louise/C-5920-2013 OI Saboungi, Marie-Louise/0000-0002-0607-4815 NR 16 TC 12 Z9 12 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 22 PY 2004 VL 108 IS 16 BP 5120 EP 5126 DI 10.1021/jp035161c PG 7 WC Chemistry, Physical SC Chemistry GA 813YR UT WOS:000220942900024 ER PT J AU Anderson, MD Stevenson, JW Simner, SP AF Anderson, MD Stevenson, JW Simner, SP TI Reactivity of lanthanide ferrite SOFC cathodes with YSZ electrolyte SO JOURNAL OF POWER SOURCES LA English DT Article DE reactivity; lanthanide ferrite; SOFC cathodes AB The reactivity of yttria-stabilized zirconia (YSZ) with compounds of the form Ln(0.8)Sr(0.2)FeO(3) (Ln = Sm, Pr, Nd and a mixed lanthanide precursor) and La0.8M0.2FeO3 (M = Ba, Ca) was investigated, and compared to the comprehensively studied La0.8Sr0.2FeO3 (LSF-20) composition. With the exception of Ca, all variants showed either increased reactivity with YSZ (compared to the base LSF-20), or a lack of phase purity after calcination at 1200-1300 degreesC. (C) 2003 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Dept MSIN K2 44, Mat Sci Div MS K2 44, Richland, WA 99352 USA. RP Simner, SP (reprint author), Pacific NW Natl Lab, Dept MSIN K2 44, Mat Sci Div MS K2 44, POB 999,902 Battelle Blvd, Richland, WA 99352 USA. EM steven.simner@pnl.gov NR 7 TC 39 Z9 41 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 22 PY 2004 VL 129 IS 2 BP 188 EP 192 DI 10.1016/j.jpowsour.2003.11.039 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 814GI UT WOS:000220962800008 ER PT J AU Hu, F Doeff, MM AF Hu, F Doeff, MM TI Electrochemical characterization of manganese oxide cathode materials based on Na0.4MnO2 SO JOURNAL OF POWER SOURCES LA English DT Article DE manganese oxide; rechargeable lithium batteries; romanechite ID RECHARGEABLE LITHIUM BATTERIES; ELECTRODE MATERIALS; ROMANECHITE; REFINEMENT AB Cathode materials for lithium rechargeable batteries were prepared from Na0.4MnO2 by solution and molten salt ion-exchanges. The former process results in partial replacement of sodium while the latter results in complete exchange. The discharge characteristics depend upon the sodium content, with the partially lithiated material exhibiting hysteresis in the charge/discharge profile and differential capacity plots from stepped potential experiments. For the fully lithiated material, a complex voltage profile with several distinct plateaus corresponding to several two-phase regions is observed. No evidence of spinel formation during ion-exchange or electrochemical cycling is seen for this system. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Doeff, MM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mmdoeff@lbl.gov RI Doeff, Marca/G-6722-2013 OI Doeff, Marca/0000-0002-2148-8047 NR 19 TC 10 Z9 12 U1 2 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 22 PY 2004 VL 129 IS 2 BP 296 EP 302 DI 10.1016/j.jpowsour.2003.11.040 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 814GI UT WOS:000220962800021 ER PT J AU Tudosa, I Stamm, C Kashuba, AB King, F Siegmann, HC Stohr, J Ju, G Lu, B Weller, D AF Tudosa, I Stamm, C Kashuba, AB King, F Siegmann, HC Stohr, J Ju, G Lu, B Weller, D TI The ultimate speed of magnetic switching in granular recording media SO NATURE LA English DT Article ID FIELD PULSES; REVERSAL AB In magnetic memory devices, logical bits are recorded by selectively setting the magnetization vector of individual magnetic domains either 'up' or 'down'. In such devices, the fastest and most efficient recording method involves precessional switching(1-4): when a magnetic field B-p is applied as a write pulse over a period tau, the magnetization vector precesses about the field until B(p)tau reaches the threshold value at which switching occurs. Increasing the amplitude of the write pulse B-p might therefore substantially shorten the required switching time tau and allow for faster magnetic recording. Here we use very short pulses of a very high magnetic field(5) to show that under these extreme conditions, precessional switching in magnetic media supporting high bit densities no longer takes place at well-defined field strengths; instead, switching occurs randomly within a wide range of magnetic fields. We attribute this behaviour to a momentary collapse of the ferromagnetic order of the spins under the load of the short and high-field pulse, thus establishing an ultimate limit to the speed of deterministic switching and magnetic recording. C1 Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. LD Landau Theoret Phys Inst, Moscow 117940, Russia. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Seagate Technol LLC, Pittsburgh, PA 15222 USA. RP Stohr, J (reprint author), Stanford Synchrotron Radiat Lab, POB 20450, Stanford, CA 94309 USA. EM stohr@slac.stanford.edu RI Stamm, Christian/G-4814-2013 OI Stamm, Christian/0000-0001-5611-9084 NR 14 TC 144 Z9 145 U1 4 U2 31 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 22 PY 2004 VL 428 IS 6985 BP 831 EP 833 DI 10.1038/nature02438 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 814CH UT WOS:000220952300033 PM 15103370 ER PT J AU Watson, JEV Doggett, NA Albertson, DG Andaya, A Chinnaiyan, A van Dekken, H Ginzinger, D Haqq, C James, K Kamkar, S Kowbel, D Pinkel, D Schmitt, L Simko, JP Volik, S Weinberg, VK Paris, PL Collins, C AF Watson, JEV Doggett, NA Albertson, DG Andaya, A Chinnaiyan, A van Dekken, H Ginzinger, D Haqq, C James, K Kamkar, S Kowbel, D Pinkel, D Schmitt, L Simko, JP Volik, S Weinberg, VK Paris, PL Collins, C TI Integration of high-resolution array comparative genomic hybridization analysis of chromosome 16q with expression array data refines common regions of loss at16q23-qter and identifies underlying candidate tumor suppressor genes in prostate cancer SO ONCOGENE LA English DT Article DE prostate cancer; chromosome 16q; array CGH; tumor suppressor genes ID FRAGILE SITE FRA16D; ALLELIC IMBALANCE; GROWTH; CARCINOMAS; BREAST; TRANSLOCATION; DYSREGULATION; MICROARRAYS; DELETIONS; SEQUENCE AB We have constructed a high-resolution genomic microarray of human chromosome 16q, and used it for comparative genomic hybridization analysis of 16 prostate tumors. We demarcated 10 regions of genomic loss between 16q23.1 and 16qter that occurred in five or more samples. Mining expression array data from four independent studies allowed us to identify 11 genes that were frequently underexpressed in prostate cancer and that co-localized with a region of genomic loss. Quantitative expression analyses of these genes in matched tumor and benign tissue from 13 patients showed that six of these 11 (WWOX, WFDC1, MAF, FOXF1, MVD and the predicted novel transcript Q9H0B8 (NM_031476)) had significant and consistent downregulation in the tumors relative to normal prostate tissue expression making them candidate tumor suppressor genes. C1 Univ Calif San Francisco, Ctr Comprehens Canc, Collins Lab, San Francisco, CA 94143 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Michigan, Sch Med, Dept Pathol, Ann Arbor, MI 48109 USA. Univ Med Ctr, Erasmus Med Ctr, Rotterdam, Netherlands. RP Watson, JEV (reprint author), Univ Calif San Francisco, Ctr Comprehens Canc, Collins Lab, 2340 Sutter St, San Francisco, CA 94143 USA. EM vwatson@cc.ucsf.edu FU NCI NIH HHS [CA89520] NR 33 TC 64 Z9 66 U1 0 U2 4 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0950-9232 J9 ONCOGENE JI Oncogene PD APR 22 PY 2004 VL 23 IS 19 BP 3487 EP 3494 DI 10.1038/sj.onc.1207474 PG 8 WC Biochemistry & Molecular Biology; Oncology; Cell Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Oncology; Cell Biology; Genetics & Heredity GA 814LA UT WOS:000220975000024 PM 15007382 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Measurement of masses and widths of excited charm mesons D-2(*) and evidence for broad states SO PHYSICS LETTERS B LA English DT Article ID HEAVY-QUARK; SPECTROSCOPY; SPECTROMETER; MODEL; FOCUS AB Using data from the FOCUS experiment we analyze the D(+)pi(-) and D(0)pi(+) invariant mass distributions. We measure the D-2(*0) mass M-D2*0 (2464.5 +/- 1.1 +/- 1.9) MeV/c(2) and width GammaD(2*0) = (38.7 +/- 5.3 +/- 2.9) MeV/c(2) and the D-2(*+) mass MD2*+ = (2467.6 +/- 1.5 +/- 0.76) MeV/c(2) and width GammaD(2*+) = (34.1 +/- 6.5 +/- 4.2) MeV/c(2). We find evidence for broad structures over background in both the neutral and charged final state. If each is interpreted as evidence for a single L = 1, j(q) = 1/2 excited charm meson resonance, the masses and widths are M-1/2(0) (2407 +/- 21 +/- 35) MeV/c(2), Gamma(1/2)(0) (240 +/- 55 +/- 59) MeV/c(2) M-1/2(+) = (2403 +/- 14 +/- 35) MeV/c(2), Gamma(1/2)(+) = (283 +/- 24 +/- 34) MeV/c(2), respectively. (C) 2004 Published by Elsevier B.V. C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, I-20122 Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Link, JM (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM stefano.bianco@lnf.infn.it RI Wang, Chi/G-9004-2011; Bonomi, Germano/G-4236-2010; Gianini, Gabriele/M-5195-2014; Kwak, Jungwon/K-8338-2012; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; Menasce, Dario Livio/A-2168-2016 OI Bonomi, Germano/0000-0003-1618-9648; Kutschke, Robert/0000-0001-9315-2879; Gianini, Gabriele/0000-0001-5186-0199; bianco, stefano/0000-0002-8300-4124; Kryemadhi, Abaz/0000-0002-1240-2803; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Menasce, Dario Livio/0000-0002-9918-1686 NR 27 TC 93 Z9 93 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 22 PY 2004 VL 586 IS 1-2 BP 11 EP 20 DI 10.1016/j.physletb.2004.02.017 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 810AH UT WOS:000220676700003 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Bryant, AD Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Bryant, AD Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Measurements of six-body hadronic decays of the D-0 charmed SO PHYSICS LETTERS B LA English DT Article ID MESONS C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Nazl Frascati Lab, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, I-20122 Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Link, JM (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM adam.d.bryant@vanderbilt.edu RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Kryemadhi, Abaz/0000-0002-1240-2803 NR 9 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 22 PY 2004 VL 586 IS 1-2 BP 21 EP 26 DI 10.1016/j.physletb.2004.02.038 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 810AH UT WOS:000220676700004 ER PT J AU Stadlmann, J Hausmann, M Attallah, F Beckert, K Beller, P Bosch, F Eickhoff, H Falch, M Franczak, B Franzke, B Geissel, H Kerscher, TH Klepper, O Kluge, HJ Kozhuharov, C Litvinov, YA Lobner, KEG Matos, M Munzenberg, G Nankov, N Nolden, F Novikov, YN Ohtsubo, T Radon, T Schatz, H Scheidenberger, C Steck, M Weick, H Wollnik, H AF Stadlmann, J Hausmann, M Attallah, F Beckert, K Beller, P Bosch, F Eickhoff, H Falch, M Franczak, B Franzke, B Geissel, H Kerscher, TH Klepper, O Kluge, HJ Kozhuharov, C Litvinov, YA Lobner, KEG Matos, M Munzenberg, G Nankov, N Nolden, F Novikov, YN Ohtsubo, T Radon, T Schatz, H Scheidenberger, C Steck, M Weick, H Wollnik, H TI Direct mass measurement of bare short-lived V-44, Mn-48, Ti-41 and Cr-45 ions with isochronous mass spectrometry SO PHYSICS LETTERS B LA English DT Article DE mass measurement; V-44; Mn-48; Ti-41; Cr-45; rp-process; in-flight separation; stored ions ID EXPERIMENTAL STORAGE-RING; ACCRETING NEUTRON-STARS; EXOTIC NUCLEI; RAY BURSTS; GSI; ESR AB We present direct mass measurements of the short-lived V-44, Mn-48, Ti-41 and Cr-45 nuclei. A novel experimental method has been used that is based on projectile fragmentation, in-flight separation of relativistic heavy ions with the fragment separator (FRS). and on isochronous operation of the experimental storage ring (ESR). A mass resolving power of I 10 000 (FWHM) and an accuracy of about (100-500) keV has been achieved. The impact of the present results on the rp-process in X-ray burst models is discussed. (C) 2004 Elsevier B.V. All rights reserved. C1 Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. Univ Giessen, Inst Phys 2, D-35392 Giessen, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Munich, Sekt Phys, D-85748 Garching, Germany. St Petersburg State Univ, St Petersburg 198904, Russia. Russian Acad Sci, Inst Nucl Phys, Gatchina 188350, Russia. Michigan State Univ, E Lansing, MI 48824 USA. RP Stadlmann, J (reprint author), Gesell Schwerionenforsch mbH, Planckstr 1, D-64291 Darmstadt, Germany. EM j.stadlmann@gsi.de RI Matos, Milan/G-6947-2012; Novikov, Iurii/M-7784-2013 OI Matos, Milan/0000-0003-1722-9509; Novikov, Iurii/0000-0002-5369-7142 NR 27 TC 65 Z9 68 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 22 PY 2004 VL 586 IS 1-2 BP 27 EP 33 DI 10.1016/j.physletb.2004.02.014 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 810AH UT WOS:000220676700005 ER PT J AU Baker, SN McCleskey, TM Pandey, S Baker, GA AF Baker, SN McCleskey, TM Pandey, S Baker, GA TI Fluorescence studies of protein thermostability in ionic liquids SO CHEMICAL COMMUNICATIONS LA English DT Article ID SOLVATOCHROMIC PROBE BEHAVIOR; 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; CARBON-DIOXIDE; ETHYLAMMONIUM NITRATE; SOLVATION DYNAMICS; ALPHA-CHYMOTRYPSIN; ORGANIC-SOLVENTS; TEMPERATURE; CATALYSIS; WATER AB Using the single tryptophan residue in the sweet protein monellin as a spectroscopic handle, we show the extreme thermodynamic stabilization offered by an ionic liquid; T-u similar to105 degreesC in [C(4)mpy][Tf2N] compared to 40 degreesC in bulk water. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. New Mexico Inst Min & Technol, Dept Chem, Socorro, NM 87801 USA. RP Baker, GA (reprint author), Los Alamos Natl Lab, Biosci Div, MS J586, Los Alamos, NM 87545 USA. EM gabaker@lanl.gov RI McCleskey, Thomas/J-4772-2012; Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 36 TC 173 Z9 174 U1 4 U2 43 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. PD APR 21 PY 2004 IS 8 BP 940 EP 941 DI 10.1039/b401304m PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 821JC UT WOS:000221455300013 PM 15069485 ER PT J AU Kimmich, BFM Fagan, PJ Hauptman, E Bullock, RM AF Kimmich, BFM Fagan, PJ Hauptman, E Bullock, RM TI Solvent-free ketone hydrogenations catalyzed by molybdenum complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID TUNGSTEN; CHEMISTRY; HYDRIDES AB Et2C=O is hydrogenated under solvent-free conditions using a catalyst prepared by hydride abstraction from HMo-(CO)(2)[eta(5):eta(1)-C5H4(CH2)(2)PCY2]; the catalyst functions at low catalyst loadings (< 0.4 mol%). C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. DuPont Co Inc, Dept Cent Res & Dev, Expt Stn, Wilmington, DE 19880 USA. RP Bullock, RM (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM bullock@bnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 NR 14 TC 16 Z9 17 U1 0 U2 1 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. PD APR 21 PY 2004 IS 8 BP 1014 EP 1015 DI 10.1039/b401760a PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 821JC UT WOS:000221455300049 PM 15069521 ER PT J AU Jiang, L Hughes, RC Sasaki, DY AF Jiang, L Hughes, RC Sasaki, DY TI Supramolecular assembly of a quaterthiophene surfactant SO CHEMICAL COMMUNICATIONS LA English DT Article ID THIOPHENE OLIGOMERS; SEMICONDUCTORS; TRANSISTORS; CHEMISTRY AB A newly synthesized oligothiophene surfactant self-assembles into unilamellar vesicles in aqueous solution and exhibits semiconductive behavior as a cast film. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sasaki, DY (reprint author), Sandia Natl Labs, MS 1413, Albuquerque, NM 87185 USA. EM dysasak@sandia.gov NR 13 TC 18 Z9 19 U1 0 U2 1 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. PD APR 21 PY 2004 IS 8 BP 1028 EP 1029 DI 10.1039/b316657k PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 821JC UT WOS:000221455300056 PM 15069528 ER PT J AU Wu, KH Li, J Lin, CS AF Wu, KH Li, J Lin, CS TI Remarkable second-order optical nonlinearity of nano-sized AU(20) cluster: a TDDFT study SO CHEMICAL PHYSICS LETTERS LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; GOLD CLUSTERS; MOLECULES; HYPERPOLARIZABILITIES; IMPLEMENTATION; OXIDATION; COMPLEXES; ACCURATE; SPECTRA; ENERGY AB The dipole polarizability, static first hyperpolarizability and UV-Vis spectrum of the recently identified nano-sized tetrahedral cluster of Au-20 have been investigated by using time-dependent density functional response theory. We have discovered that the An(20) cluster possesses remarkably large molecular second-order optical nonlinearity with the first hype rpol arizabilty (beta(xyz)) calculated to be 14.3 x 10(-30) esu. The analysis of the low-energy absorption band suggests that the charge transfer from the edged gold atoms to the vertex ones plays the key role in nonlinear optical (NLO) response of Au-20. (C) 2004 Elsevier B.V. All rights reserved. C1 Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wu, KH (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, 155 Yangqiao Rd W, Fuzhou 350002, Fujian, Peoples R China. EM wkc@ms.fjirsm.ac.cn RI Wu, Kechen/C-6140-2008; lin, chensheng/C-2839-2009; Li, Jun/E-5334-2011 OI lin, chensheng/0000-0003-1895-4980; Li, Jun/0000-0002-8456-3980 NR 33 TC 52 Z9 53 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 21 PY 2004 VL 388 IS 4-6 BP 353 EP 357 DI 10.1016/j.cplett.2004.03.033 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813VW UT WOS:000220935600023 ER PT J AU Chen, XL Patterson, BD Settersten, TB AF Chen, XL Patterson, BD Settersten, TB TI Time-domain investigation of OH ground-state energy transfer using picosecond two-color polarization spectroscopy SO CHEMICAL PHYSICS LETTERS LA English DT Article ID ORIENTATIONAL RELAXATION-TIMES; LASER-INDUCED FLUORESCENCE; 4-WAVE-MIXING SPECTROSCOPY; ROTATIONAL RELAXATION; INELASTIC-COLLISIONS; CROSS-SECTIONS; POPULATION; FLAMES; RATES; PROBE AB Two-color polarization spectroscopy was used to investigate rotational energy transfer (RET) and relaxation of orientation and alignment in the ground electronic state of OH in an atmospheric-pressure methane-air flame. Two independently tunable lasers produced nearly transform-limited infrared and ultraviolet pulses of 50 ps duration. The infrared laser excited rovibrational transitions, and delayed ultraviolet pulses probed electronic transitions from either the directly pumped or collisionally populated states. Alignment and orientation relaxation times were measured for individual rotational levels in OH X-2 Pi(3/2) (v = 1), and the feasibility of time-domain investigation of state-to-state energy transfer processes was demonstrated. (C) 2004 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Settersten, TB (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9056, Livermore, CA 94551 USA. EM tbsette@sandia.gov RI Settersten, Thomas/B-3480-2009 OI Settersten, Thomas/0000-0002-8017-0258 NR 35 TC 17 Z9 17 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 21 PY 2004 VL 388 IS 4-6 BP 358 EP 362 DI 10.1016/j.cplett.2004.03.025 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 813VW UT WOS:000220935600024 ER PT J AU Lapenta, G AF Lapenta, G TI A recipe to detect the error in discretization schemes SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE discretization error; operator recovery error source detector ID HYPERBOLIC CONSERVATION-LAWS; COMPUTATIONS; FLOW AB The necessity for a reliable measure of the discretization error arises in adaptive mesh refinement and in moving mesh adaptation. The present work discusses a detector of the discretization error based on the interpolation reconstruction of the operators. The technique presented here is named operator recovery error source detector (ORESD). Its main features are: First, the technique is based on the operators being discretized and does not require any user intervention or any a priori knowledge of the solution or its properties. Second, the ORESD is an a posteriori error indicator, but it is shown to be consistent with the a priori error provided by the modified equation approach. Third, the technique is based on the operators being solved and is tailored to the specific problem at hand. Four, the technique is simple and is based on a small stencil, resulting in a very inexpensive error detection. In the present work, the ORESD is derived and applied to two tutorial examples: divergence and gradient. With the aid of the two examples and using the general derivation, the ORESD is then applied to the gas dynamics equations. Two benchmarks are used to test the performance. First, a shock tube problem is solved (Sod's benchmark) in a Lagrangian and in a Eulerian frame. Second, the Colella's wedge problem is solved using CLAWPACK. Finally, the ORESD is applied to the 2D Poisson equation on a uniform and on a non-uniform grid to test the application to elliptic problems. In all examples the operator recovery error source detector succeeds in detecting the real sources of error. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lapenta, G (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM lapenta@lanl.gov OI Lapenta, Giovanni/0000-0002-3123-4024 NR 27 TC 5 Z9 5 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 21 PY 2004 VL 59 IS 15 BP 2065 EP 2087 DI 10.1002/nme.969 PG 23 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 818HM UT WOS:000221236200005 ER PT J AU Woo, H Tyson, TA Croft, M Cheong, SW AF Woo, H Tyson, TA Croft, M Cheong, SW TI Evidence for spin clusters and glassy behaviour in Bi1-xCaxMnO3 (x similar to 0.875) SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID COLOSSAL MAGNETORESISTANCE; PHASE-SEPARATION; DOUBLE EXCHANGE; PEROVSKITE; MANGANITES; STATE; ANTIFERROMAGNETISM; FERROMAGNETISM; LA0.5SR0.5COO3; MAGNETIZATION AB Detailed magnetic and transport properties of electron-doped Bi0.125Ca0.875 MnO3 materials are reported. Low field magnetization measurements provide evidence for ferromagnetic Curie-Weiss behaviour at higher temperatures and an anti ferromagnetic state below T-N 109 K, which supports a ferromagnetic component. High field (-30 T less than or equal to H less than or equal to 30 T) DC magnetization measurements (5-300 K) show a strongly nonlinear field response below and far above the ordering temperature. The residual magnetic moment and coercive field, in the ordered state, are, however, exceptionally small. These results are discussed in terms of the FM coupling of spins into clusters. The possible coupling of these clusters to the AF staggered magnetization (below T-N) and to AF fluctuations (above T-N) is discussed. The magnetic effects appear to be consistent with canted antiferromagnetism, however, FM segregation is not ruled out. The high field magnetoresistance (up to 30 T) appears to be governed by a field-induced reduction in the doped carrier localization. The glassy character of the cluster magnetic response was investigated by measuring the frequency dependent AC susceptibility and time/history evolution of the low field magnetization. Glassy behaviour in the cluster response is indeed observed and is discussed. The differentiation of cluster glass versus canted-AF origins of the time/history effects is still an open issue. C1 New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. Rutgers State Univ, Dept Phys, Piscataway, NJ 08855 USA. Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA. RP Woo, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 40 TC 13 Z9 14 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 21 PY 2004 VL 16 IS 15 BP 2689 EP 2705 AR PII S0953-8984(04)73952-1 DI 10.1088/0953-8984/16/15/020 PG 17 WC Physics, Condensed Matter SC Physics GA 818VL UT WOS:000221272500027 ER PT J AU Chupas, PJ Chaudhuri, S Hanson, JC Qiu, XY Lee, PL Shastri, SD Billinge, SJL Grey, CP AF Chupas, PJ Chaudhuri, S Hanson, JC Qiu, XY Lee, PL Shastri, SD Billinge, SJL Grey, CP TI Probing local and long-range structure simultaneously: An in situ study of the high-temperature phase transition of alpha-AlF3 SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PAIR DISTRIBUTION FUNCTION; ALTERNATIVES; CRISTOBALITE; DIFFRACTION; PEROVSKITES; DYNAMICS; ALF3 C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Chem, Brookhaven, NY 11793 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Grey, CP (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cgrey@mail.chem.sunysb.edu RI Hanson, jonathan/E-3517-2010 NR 20 TC 41 Z9 41 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 21 PY 2004 VL 126 IS 15 BP 4756 EP 4757 DI 10.1021/ja031553n PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 812OX UT WOS:000220849900005 PM 15080661 ER PT J AU Ghiladi, RA Cabelli, DE de Montellano, PRO AF Ghiladi, RA Cabelli, DE de Montellano, PRO TI Superoxide reactivity of KatG: Insights into isoniazid resistance pathways in TB SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MYCOBACTERIUM-TUBERCULOSIS KATG; CATALASE-PEROXIDASE; OXIDATION; INHA; ACTIVATION; MECHANISM; COMPOUND; MUTANT C1 Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP de Montellano, PRO (reprint author), Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. EM ortiz@cgl.ucsf.edu FU NIAID NIH HHS [N01 AI-75320]; NIGMS NIH HHS [GM56531] NR 16 TC 22 Z9 23 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 21 PY 2004 VL 126 IS 15 BP 4772 EP 4773 DI 10.1021/ja031728t PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 812OX UT WOS:000220849900013 PM 15080669 ER PT J AU Savage, VM AF Savage, VM TI Improved approximations to scaling relationships for species, populations, and ecosystems across latitudinal and elevational gradients SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE allometry; body temperature; central moments; latitudinal studies; ecosystem averages ID GENERAL-MODEL; ENERGY-USE; MISCONCEPTIONS; BIASES; SIZE; COUNTEREXAMPLES; TEMPERATURE; ALLOMETRY; BIOMASS; MASS AB Historically, allometric equations relate organismal traits, such as metabolic rate, individual growth rate, and lifespan, to body mass. Similarly, Boltzmann or Q(10) factors are used to relate many organismal traits to body temperature. Allometric equations and Boltzmann factors are being applied increasingly to higher levels of biological organization in an attempt to describe aggregate properties of populations and ecosystems. They have been used previously for studies that analyse scaling relationships between populations and across latitudinal gradients. For these kinds of applications, it is crucial to be aware of the "fallacy of the averages", and it is often problematic or incorrect to simply substitute the average body mass or temperature for an entire population or ecosystem into allometric equations. We derive improved approximations to allometric equations and Boltzmann factors in terms of the central moments of body size and temperature, and we provide tests for the accuracy of these approximations. This framework is necessary for interpreting the predictions of scaling theories for large-scale systems and grants insight into which characteristics of a given distribution are important. These approximations and tests are applied to data for body size for several taxonomic groups, including groups with multiple species, and to data for temperature at locations of varying latitude, corresponding to ectothermic body temperatures. Based on these results, the accuracy and utility of these approximations as applied to biological systems are assessed. We conclude that approximations to allometric equations at the species level are extremely accurate. However, for systems with a large range in body size, evaluating the skewness and kurtosis is often necessary, so it may be advantageous to calculate the exact form for the averaged scaling relationships instead. Moreover, the improved approximation for the Boltzmann factor, which uses the average and standard deviation of temperature, is quite accurate and represents a significant improvement over previous approximations. (C) 2003 Elsevier Ltd. All rights reserved. C1 Santa Fe Inst, Santa Fe, NM 87501 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Santa Fe Inst, 1399 Hyde Pk Rd, Santa Fe, NM 87501 USA. EM van@santfe.edu NR 29 TC 43 Z9 43 U1 0 U2 13 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 EI 1095-8541 J9 J THEOR BIOL JI J. Theor. Biol. PD APR 21 PY 2004 VL 227 IS 4 BP 525 EP 534 DI 10.1016/j.jtbi.2003.11.030 PG 10 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 809ZH UT WOS:000220674100006 PM 15038987 ER PT J AU Kulevoy, TV Batalin, VA Hershcovitch, A Johnson, BM Kolomiets, AA Kuilbeda, RP Kashinsky, DA Kuzmichev, VG Pershin, VI Petrenko, SV Seleznev, DN Oks, EM AF Kulevoy, TV Batalin, VA Hershcovitch, A Johnson, BM Kolomiets, AA Kuilbeda, RP Kashinsky, DA Kuzmichev, VG Pershin, VI Petrenko, SV Seleznev, DN Oks, EM TI Enhancement of ion beam charge states by adding a second anode to the metal-vapor vacuum-arc ion source SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article ID MAGNETIC-FIELD; PLASMAS; DISTRIBUTIONS AB We report detailed investigations of ion charge state enhancement in an alternative meta I-vapor-vacuum arc ion source configuration, consisting of two anodes with staggered (but partially overlapping) high current discharges in axial high magnetic field gradients. The experiments demonstrated that driving an additional current in a vacuum arc in a magnetic mirror configuration resulted in substantial ion charge state enhancement. Maximum ion charge states of Pb6+ and U8+ were extracted. Results are presented for high charge state uranium beam generation and acceleration in the 27 MHz heavy-ion RFQ LINAC TIPr-1. (C) 2003 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Inst Theoret & Expt Phys, Moscow 117259, Russia. Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. RP Kashinsky, DA (reprint author), Brookhaven Natl Lab, Bldg 911C,POB 5000, Upton, NY 11973 USA. EM hershcovitch@bnl.gov RI Oks, Efim/A-9409-2014 OI Oks, Efim/0000-0002-9323-0686 NR 19 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 171 EP 177 DI 10.1016/j.nima.2003.11.196 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300001 ER PT J AU Wang, JG Zhang, SY AF Wang, JG Zhang, SY TI Coupling impedance measurements of a model fast extraction kicker magnet for the SNS accumulator ring SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE coupling impedance; longitudinal and transverse impedance; collective instability; particle accelerator; wire method; scattering coefficient; matching; Kicker magnet AB Both longitudinal and transverse coupling impedance of a fast extraction kicker magnet has been measured for the design and development of beam extraction in the Spallation Neutron Source accumulator ring. The conventional wire method with improved techniques is employed in the bench test. The experimental result is explained by and compared with a newly developed resonant circuit model. The impact of the measurement on the fast extraction kicker magnet design is discussed. (C) 2003 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, SNS, Oak Ridge, TN 37831 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wang, JG (reprint author), Oak Ridge Natl Lab, SNS, POB 2008,MS-6471, Oak Ridge, TN 37831 USA. EM jgwang@ornl.gov NR 18 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 178 EP 189 DI 10.1016/j.nima.2003.11.198 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300002 ER PT J AU Alcorn, J Anderson, BD Aniol, KA Annand, JRM Auerbach, L Arrington, J Averett, T Baker, FT Baylac, M Beise, EJ Berthot, J Bertin, PY Bertozzi, W Bimbot, L Black, T Boeglin, WU Boykin, DV Brash, EJ Breton, V Breuer, H Brindza, P Brown, D Burtin, E Calarco, JR Cardman, LS Carr, R Cates, GD Cavata, C Chai, Z Chang, CC Chant, NS Chen, JP Choi, S Chudakov, E Churchwell, S Coman, M Cisbani, E Colilli, S Colombel, N Crateri, R Dale, DS Degrande, N de Jager, CW De Leo, R Deur, A Dezern, G Diederich, B Dieterich, S di Salvo, R Djawotho, P Domingo, J Ducret, JE Dutta, D Egiyan, K Epstein, MB Escoffier, S Esp, S Ewell, LA Finn, JM Fissum, KG Folts, E Fonvieille, H Frois, B Frullani, S Gao, H Gao, J Garibaldi, F Gasparian, A Gavalya, A Gayou, O Gilad, S Gilman, R Giuliani, F Glamazdin, A Glashausser, C Gomez, J Gorbenko, V Gorringe, T Gricia, M Griffioen, K Hamilton, D Hansen, JO Hersman, FW Higinbotham, DW Holmes, R Holmgren, H Holtrop, M d'Hose, N Hovhannisyan, E Howell, C Huber, GM Hughes, E Hyde-Wright, CE Ibrahim, H Incerti, S Iodice, M Iommi, R Ireland, D Jaminion, S Jardillier, J Jensen, S Jiang, X Jones, CE Jones, MK Joo, K Jutier, C Kahl, W Kato, S Katramatou, AT Kelly, JJ Kerhoas, S Ketikyan, A Khandaker, M Khayat, M Kino, K Kominis, I Korsch, W Kox, S Kramer, K Kumar, KS Kumbartzki, G Kuss, M Lagamba, L Laveissiere, G Leone, A LeRose, JJ Marie, F Levchuk, L Leuschner, M Lhuillier, D Liang, M Livingston, K Lindgren, RA Liyanage, N Lolos, GJ Lourie, RW Lucentini, M Madey, R Maeda, K Malov, S Manley, DM Margaziotis, DJ Markowitz, P Marroncle, J Martine, J Mayilyan, S McCarthy, JS McCormick, K McIntyre, J McKeown, RD Meekins, D van der Meer, RLJ Meziani, ZE Michaels, R Milbrath, B Miller, JA Miller, W Mitchell, J Mougey, J Nanda, S Nathan, A Neyret, D Offermann, EAJM Papandreou, Z Perdrisat, CF Perrino, R Petratos, GG Petrosyan, A Pierangeli, L Platchkov, S Pomatsalyuk, R Pripstein, D Prout, DL Punjabi, VA Pussieux, T Quemener, G Ransomez, RD Ravel, O Reitz, B Roblin, Y Roche, R Roedelbronn, M Rondon-Aramayo, OA Roos, PG Rosner, G Rowntree, D Rutledge, GA Rutt, PM Rvachev, M Sabatavenere, F Saha, A Saito, T Santavenere, F Sarty, AJ Schneider, WJ Segal, JP Serdarevic-Offermann, A Shahinyan, A Slifer, K Smith, TP Soldi, A Sorokin, P Souder, P Spiegel, SL Stevens, MA Strauch, S Suleiman, R Templon, JA Terasawa, T Todor, L Tsubota, H Ueno, H Ulmer, PE Urciuoli, GM Van Hoorebeke, L Van de Vyver, R van Verst, S Vernin, P Vlahovic, B Voskanyan, H Voutier, E Walter, R Watson, JW Watts, DP Weinstein, LB Wijesooriya, K Wojtsekhowski, B Xiang, H Xiong, F Xu, W Zainea, DG Zeps, V Zhao, J Zheng, X Zhou, ZL Zhu, L Zolnierczuk, PA AF Alcorn, J Anderson, BD Aniol, KA Annand, JRM Auerbach, L Arrington, J Averett, T Baker, FT Baylac, M Beise, EJ Berthot, J Bertin, PY Bertozzi, W Bimbot, L Black, T Boeglin, WU Boykin, DV Brash, EJ Breton, V Breuer, H Brindza, P Brown, D Burtin, E Calarco, JR Cardman, LS Carr, R Cates, GD Cavata, C Chai, Z Chang, CC Chant, NS Chen, JP Choi, S Chudakov, E Churchwell, S Coman, M Cisbani, E Colilli, S Colombel, N Crateri, R Dale, DS Degrande, N de Jager, CW De Leo, R Deur, A Dezern, G Diederich, B Dieterich, S di Salvo, R Djawotho, P Domingo, J Ducret, JE Dutta, D Egiyan, K Epstein, MB Escoffier, S Esp, S Ewell, LA Finn, JM Fissum, KG Folts, E Fonvieille, H Frois, B Frullani, S Gao, H Gao, J Garibaldi, F Gasparian, A Gavalya, A Gayou, O Gilad, S Gilman, R Giuliani, F Glamazdin, A Glashausser, C Gomez, J Gorbenko, V Gorringe, T Gricia, M Griffioen, K Hamilton, D Hansen, JO Hersman, FW Higinbotham, DW Holmes, R Holmgren, H Holtrop, M d'Hose, N Hovhannisyan, E Howell, C Huber, GM Hughes, E Hyde-Wright, CE Ibrahim, H Incerti, S Iodice, M Iommi, R Ireland, D Jaminion, S Jardillier, J Jensen, S Jiang, X Jones, CE Jones, MK Joo, K Jutier, C Kahl, W Kato, S Katramatou, AT Kelly, JJ Kerhoas, S Ketikyan, A Khandaker, M Khayat, M Kino, K Kominis, I Korsch, W Kox, S Kramer, K Kumar, KS Kumbartzki, G Kuss, M Lagamba, L Laveissiere, G Leone, A LeRose, JJ Marie, F Levchuk, L Leuschner, M Lhuillier, D Liang, M Livingston, K Lindgren, RA Liyanage, N Lolos, GJ Lourie, RW Lucentini, M Madey, R Maeda, K Malov, S Manley, DM Margaziotis, DJ Markowitz, P Marroncle, J Martine, J Mayilyan, S McCarthy, JS McCormick, K McIntyre, J McKeown, RD Meekins, D van der Meer, RLJ Meziani, ZE Michaels, R Milbrath, B Miller, JA Miller, W Mitchell, J Mougey, J Nanda, S Nathan, A Neyret, D Offermann, EAJM Papandreou, Z Perdrisat, CF Perrino, R Petratos, GG Petrosyan, A Pierangeli, L Platchkov, S Pomatsalyuk, R Pripstein, D Prout, DL Punjabi, VA Pussieux, T Quemener, G Ransomez, RD Ravel, O Reitz, B Roblin, Y Roche, R Roedelbronn, M Rondon-Aramayo, OA Roos, PG Rosner, G Rowntree, D Rutledge, GA Rutt, PM Rvachev, M Sabatavenere, F Saha, A Saito, T Santavenere, F Sarty, AJ Schneider, WJ Segal, JP Serdarevic-Offermann, A Shahinyan, A Slifer, K Smith, TP Soldi, A Sorokin, P Souder, P Spiegel, SL Stevens, MA Strauch, S Suleiman, R Templon, JA Terasawa, T Todor, L Tsubota, H Ueno, H Ulmer, PE Urciuoli, GM Van Hoorebeke, L Van de Vyver, R van Verst, S Vernin, P Vlahovic, B Voskanyan, H Voutier, E Walter, R Watson, JW Watts, DP Weinstein, LB Wijesooriya, K Wojtsekhowski, B Xiang, H Xiong, F Xu, W Zainea, DG Zeps, V Zhao, J Zheng, X Zhou, ZL Zhu, L Zolnierczuk, PA TI Basic instrumentation for Hall A at Jefferson Lab SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Jefferson lab; Hall A; instrumentation ID BEAM POLARIZATION MEASUREMENTS; HIGH-RESOLUTION SPECTROMETERS; FABRY-PEROT CAVITY; ACCELERATOR-FACILITY; COMPTON POLARIMETER; CHERENKOV COUNTER; SPIN RELAXATION; SCATTERING; GAS; ELECTRONS AB The instrumentation in Hall A at the Thomas Jefferson National Accelerator Facility was designed to study electro-and photo-induced reactions at very high luminosity and good momentum and angular resolution for at least one of the reaction products. The central components of Hall A are two identical high resolution spectrometers, which allow the vertical drift chambers in the focal plane to provide a momentum resolution of better than 2 x 10(-4). A variety of Cherenkov counters, scintillators and lead-glass calorimeters provide excellent particle identification. The facility has been operated successfully at a luminosity well in excess of 10(38) CM-2 s(-1). The research program is aimed at a variety of subjects, including nucleon structure functions, nucleon form factors and properties of the nuclear medium. (C) 2003 Elsevier B.V. All rights reserved. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Kent State Univ, Kent, OH 44242 USA. Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Temple Univ, Philadelphia, PA 19122 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Univ Georgia, Athens, GA 30602 USA. CEA Saclay, F-91191 Gif Sur Yvette, France. Univ Maryland, College Pk, MD 20742 USA. Univ Clermont Ferrand, IN2P3, F-63177 Clermont Ferrand, France. MIT, Cambridge, MA 02139 USA. Inst Phys Nucl, F-91406 Orsay, France. Florida Int Univ, Miami, FL 33199 USA. Univ New Hampshire, Durham, NH 03824 USA. Univ Regina, Regina, SK S4S 0A2, Canada. CALTECH, Pasadena, CA 91125 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Virginia, Charlottesville, VA 22901 USA. Duke Univ, Durham, NC 27706 USA. Ist Nazl Fis Nucl, Sez Sanita, I-00161 Rome, Italy. Ist Super Sanita, Fis Lab, I-00161 Rome, Italy. Univ Kentucky, Lexington, KY 40506 USA. State Univ Ghent, Nucl Phys Lab, B-9000 Ghent, Belgium. Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. Univ Bari, I-70126 Bari, Italy. Old Dominion Univ, Norfolk, VA 23529 USA. Rutgers State Univ, Piscataway, NJ 08854 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. Lund Univ, SE-22100 Lund, Sweden. Hampton Univ, Hampton, VA 23668 USA. Kharkov Phys & Technol Inst, UA-61108 Kharkov, Ukraine. Syracuse Univ, Syracuse, NY 13244 USA. Ist Nazl Fis Nucl, Sez Roma 3, I-00146 Rome, Italy. Yamagata Univ, Yamagata 990, Japan. Norfolk State Univ, Norfolk, VA 23504 USA. Tohoku Univ, Sendai, Miyagi 980, Japan. Lab Phys Subatom & Cosmol, F-38026 Grenoble, France. Univ Massachusetts, Amherst, MA 01003 USA. Ist Nazl Fis Nucl, Sez Lecce, I-73100 Lecce, Italy. SUNY Stony Brook, Stony Brook, NY 11794 USA. Renaissance Technol Corp, Setauket, NY 11733 USA. Eastern Kentucky Univ, Richmond, KY 40475 USA. Univ Illinois, Urbana, IL 61801 USA. Florida State Univ, Tallahassee, FL 32306 USA. St Marys Univ, Halifax, NS B3H 3C3, Canada. N Carolina Cent Univ, Durham, NC 27707 USA. RP de Jager, CW (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM kees@jlab.org RI Ireland, David/E-8618-2010; Perrino, Roberto/B-4633-2010; Kominis, Iannis/C-5515-2011; Averett, Todd/A-2969-2011; Gao, Haiyan/G-2589-2011; Arrington, John/D-1116-2012; Kuss, Michael/H-8959-2012; Rondon Aramayo, Oscar/B-5880-2013; Sarty, Adam/G-2948-2014; Higinbotham, Douglas/J-9394-2014; McIntyre, Justin/P-1346-2014; CAVATA, Christian/P-6496-2015; Cisbani, Evaristo/C-9249-2011; OI Ireland, David/0000-0001-7713-7011; Perrino, Roberto/0000-0002-5764-7337; Arrington, John/0000-0002-0702-1328; Higinbotham, Douglas/0000-0003-2758-6526; McIntyre, Justin/0000-0002-3706-4310; Cisbani, Evaristo/0000-0002-6774-8473; Di Salvo, Rachele/0000-0002-2162-714X; Kumar, Krishna/0000-0001-5318-4622; Hyde, Charles/0000-0001-7282-8120; Lagamba, Luigi/0000-0002-0233-9812; Glamazdin, Alexander/0000-0002-4172-7324; Quemener, Gilles/0000-0001-6703-6655; Papandreou, Zisis/0000-0002-5592-8135; Incerti, Sebastien/0000-0002-0619-2053 NR 90 TC 174 Z9 178 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 294 EP 346 DI 10.1016/j.nima.2003.11.415 PG 53 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300011 ER PT J AU Ahrens, J Bai, X Barwick, SW Bay, RC Becka, T Becker, KH Bernardini, E Bertrand, D Binon, F Biron, A Boser, S Botner, O Bouchta, A Bouhali, O Burgess, T Carius, S Castermans, T Chirkin, D Conrad, J Cooley, J Cowen, DF Davour, A De Clercq, C DeYoung, T Desiati, P Dewulf, JP Dickinson, E Doksus, P Ekstrom, P Engel, R Evenson, P Feser, T Gaisser, TK Ganugapati, R Gaug, M Geenen, H Gerhardt, L Goldschmidt, A Hallgren, A Halzen, F Hanson, K Hardtke, R Hauschildt, T Hellwig, M Herquet, P Hill, GC Hinton, JA Hughey, B Hulth, PO Hultqvist, K Hundertmark, S Jacobsen, J Karle, A Kim, J Kopke, L Kowalski, M Kuehn, K Lamoureux, JI Leich, H Leuthold, M Lindahl, P Liubarsky, I Lloyd-Evans, J Madsen, J Mandli, K Marciniewski, P Martello, D Matis, HS McParland, CP Messarius, T Miller, TC Minaeva, Y Miocinovic, P Mock, PC Morse, R Neunhoffer, T Niessen, P Nygren, DR Ogelman, H Olbrechts, P de Los Heros, CP Pohl, AC Porrata, R Price, PB Przybylski, GT Rawlins, K Resconi, E Rhode, W Ribordy, M Richter, S Rochester, K Martino, JR Romenesko, P Ross, D Sander, HG Schmidt, T Schinarakis, K Schlenstedt, S Schneider, D Schwarz, R Silvestri, A Solarz, M Spiczak, GM Spiering, C Stamatikos, M Stanev, T Steele, D Steffen, P Stokstad, RG Sulanke, KH Taboada, I Tilav, S Walck, C Wagner, W Wang, YR Watson, AA Weinheimer, C Wiebusch, CH Wiedemann, C Wischnewski, R Wissing, H Woschnagg, K Wu, W Yodh, G Young, S AF Ahrens, J Bai, X Barwick, SW Bay, RC Becka, T Becker, KH Bernardini, E Bertrand, D Binon, F Biron, A Boser, S Botner, O Bouchta, A Bouhali, O Burgess, T Carius, S Castermans, T Chirkin, D Conrad, J Cooley, J Cowen, DF Davour, A De Clercq, C DeYoung, T Desiati, P Dewulf, JP Dickinson, E Doksus, P Ekstrom, P Engel, R Evenson, P Feser, T Gaisser, TK Ganugapati, R Gaug, M Geenen, H Gerhardt, L Goldschmidt, A Hallgren, A Halzen, F Hanson, K Hardtke, R Hauschildt, T Hellwig, M Herquet, P Hill, GC Hinton, JA Hughey, B Hulth, PO Hultqvist, K Hundertmark, S Jacobsen, J Karle, A Kim, J Kopke, L Kowalski, M Kuehn, K Lamoureux, JI Leich, H Leuthold, M Lindahl, P Liubarsky, I Lloyd-Evans, J Madsen, J Mandli, K Marciniewski, P Martello, D Matis, HS McParland, CP Messarius, T Miller, TC Minaeva, Y Miocinovic, P Mock, PC Morse, R Neunhoffer, T Niessen, P Nygren, DR Ogelman, H Olbrechts, P de Los Heros, CP Pohl, AC Porrata, R Price, PB Przybylski, GT Rawlins, K Resconi, E Rhode, W Ribordy, M Richter, S Rochester, K Martino, JR Romenesko, P Ross, D Sander, HG Schmidt, T Schinarakis, K Schlenstedt, S Schneider, D Schwarz, R Silvestri, A Solarz, M Spiczak, GM Spiering, C Stamatikos, M Stanev, T Steele, D Steffen, P Stokstad, RG Sulanke, KH Taboada, I Tilav, S Walck, C Wagner, W Wang, YR Watson, AA Weinheimer, C Wiebusch, CH Wiedemann, C Wischnewski, R Wissing, H Woschnagg, K Wu, W Yodh, G Young, S TI Calibration and survey of AMANDA with the SPASE detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE cosmic rays; neutrino telescopes ID AIR-SHOWER EXPERIMENT; SOUTH-POLE; POINT SOURCES; SEARCH AB We report on the analysis of air showers observed in coincidence by the Antarctic Muon and Neutrino detector array (AMANDA-B10) and the South Pole Air Shower Experiment (SPASE-1 and SPASE-2). We discuss the use of coincident events for calibration and survey of the deep AMANDA detector as well as the response of AMANDA to muon bundles. This analysis uses data taken during 1997 when both SPASE-1 and SPASE-2 were in operation to provide a stereo view of AMANDA. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Berg Univ Wuppertal, Fachbereich Phys 8, D-42097 Wuppertal, Germany. DESY Zeuthen, D-15735 Zeuthen, Germany. Free Univ Brussels, Fac Sci, B-1050 Brussels, Belgium. Uppsala Univ, Div High Energy Phys, S-75121 Uppsala, Sweden. Univ Stockholm, Dept Phys, S-10691 Stockholm, Sweden. Kalmar Univ, Dept Technol, S-39182 Kalmar, Sweden. Univ Mons, B-7000 Mons, Belgium. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Free Univ Brussels, Dienst ELEM, B-1050 Brussels, Belgium. Univ Leeds, Leeds LS2 9JT, W Yorkshire, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. Univ Simon Bolivar, Dept Fis, Caracas 1080A, Venezuela. RP Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. EM gaisser@bartol.udel.edu RI Wiebusch, Christopher/G-6490-2012; Hundertmark, Stephan/A-6592-2010; Hallgren, Allan/A-8963-2013; Botner, Olga/A-9110-2013; GAug, Markus/L-2340-2014; Martello, Daniele/J-3131-2012; OI Wiebusch, Christopher/0000-0002-6418-3008; GAug, Markus/0000-0001-8442-7877; Martello, Daniele/0000-0003-2046-3910; Perez de los Heros, Carlos/0000-0002-2084-5866 NR 19 TC 12 Z9 12 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 347 EP 359 DI 10.1016/j.nima.2003.12.007 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300012 ER PT J AU Monteiro, CMB Morgado, RE dos Santos, JMF Conde, CAN AF Monteiro, CMB Morgado, RE dos Santos, JMF Conde, CAN TI A curved-grid gas proportional scintillation counter instrumented with a 25-mm active-diameter photosensor SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE gas scintillation counter; xenon gas detector; X-ray detector ID ELECTROLUMINESCENCE DETECTOR AB The curved-grid technique provides a simple method to compensate for the variation in solid angle viewed by the PMT in large-area gas proportional scintillation counters (GPSC), improving their performance. The scintillation region is delimited by a planar grid and a curved one, whose shape is calculated to produce a radially increasing scintillation yield, compensating for the decrease in the solid angle. In this work, we applied this technique to a GPSC instrumented with a PMT having a 25-mm diameter photocathode. The maximum ratio of the detector entrance window to the photocathode diameter thus far achieved, without significant performance degradation, is 1. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Coimbra, Dept Phys, P-3004516 Coimbra, Portugal. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Univ Coimbra, Dept Phys, P-3004516 Coimbra, Portugal. EM jmf@gian.fis.uc.pt RI dos Santos, Joaquim/B-3058-2015; OI Conde, Carlos/0000-0002-1387-2161; Monteiro, Cristina Maria Bernardes/0000-0002-1912-2804; dos Santos, Joaquim Marques Ferreira/0000-0002-8841-6523 NR 13 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 407 EP 412 DI 10.1016/j.nima.2003.11.416 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300015 ER PT J AU Heilbronn, L Iwata, Y Iwase, H AF Heilbronn, L Iwata, Y Iwase, H TI Off-line correction for excessive constant-fraction- discriminator walk in neutron time-of-flight experiments SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE discriminator walk; off-line correction ID RESOLUTION; TRIGGER AB A method for reducing excessive constant-fraction-discriminator walk that utilizes experimental data in the off-line analysis stage is introduced. Excessive walk is defined here as any walk that leads to an overall timing resolution that is much greater than the intrinsic timing resolution of the detection system. The method is able to reduce the contribution to the overall timing resolution from the walk to a value that is equal to or less than the intrinsic timing resolution of the detectors. Although the method is explained in the context of a neutron time-of-flight experiment, it is applicable to any data set that satisfies two conditions: (1) a measure of the signal amplitude for each event must be recorded on an event-by-event basis; and (2) there must be a distinguishable class of events present where the timing information is known a priori. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Natl Inst Radiol Sci, Chiba 260, Japan. Tohoku Univ, Sendai, Miyagi 980, Japan. RP Heilbronn, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM LHHeilbronn@lbl.gov RI Heilbronn, Lawrence/J-6998-2013 OI Heilbronn, Lawrence/0000-0002-8226-1057 NR 7 TC 9 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 495 EP 503 DI 10.1016/j.nima.2003.11.398 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300026 ER PT J AU Bolozdynya, A Bolotnikov, A Richards, J Proctor, A AF Bolozdynya, A Bolotnikov, A Richards, J Proctor, A TI Detection of thermal neutrons in cylindrical ionization chamber filled with high-pressure Xe+(3)Hegas mixture SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Letter DE high-pressure cylindrical ionization chamber; Xe+He-3 gas mixture; gamma-ray spectrometry; thermal neutron detection; clusters ID XENON AB A high-pressure cylindrical ionization chamber filled with a Xe + 3 % He-3 gas mixture can effectively detect gamma radiation and neutrons. The detector was tested at gas densities ranging between 0.07 and 0.35 g/cm(3). (C) 2003 Elsevier B.V. All rights reserved. C1 Constellat Technol Corp, Largo, FL 33777 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Bolozdynya, A (reprint author), Constellat Technol Corp, 7887 Bryan Dairy Rd,Suite 100, Largo, FL 33777 USA. EM bolozdynya@contech.com NR 9 TC 3 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 595 EP 597 DI 10.1016/j.nima.2003.11.396 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300035 ER PT J AU Reijonen, J Leung, KN Firestone, RB English, JA Perry, DL Smith, A Gicquel, F Sun, M Koivunoro, H Lou, TP Bandong, B Garabedian, G Revay, Z Szentmiklosi, L Molnar, G AF Reijonen, J Leung, KN Firestone, RB English, JA Perry, DL Smith, A Gicquel, F Sun, M Koivunoro, H Lou, TP Bandong, B Garabedian, G Revay, Z Szentmiklosi, L Molnar, G TI First PGAA and NAA experimental results from a compact high intensity D-D neutron generator SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Letter DE neutron generator; D-D fusion reaction; neutron activation analysis; prompt gamma activation analysis; neutron facility AB High neutron output D-D neutron generators have been developed in the Plasma and Ion Source Technology Group in LBNL. A new facility has been build to enable testing and running these powerful generators. The co-axial neutron generator and the shielding/moderator structure are described in this presentation. Also presented are the first PGAA (Prompt Gamma Activation Analysis) and NAA (Neutron Activation Analysis) results measured in this neutron facility. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Inst Isotope & Surface Chem, Budapest, Hungary. RP Reijonen, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 5-119, Berkeley, CA 94720 USA. EM jreijonen@lbl.gov RI Szentmiklosi, Laszlo/F-5362-2015; OI Szentmiklosi, Laszlo/0000-0001-7747-8545; Firestone, Richard/0000-0003-3833-5546 NR 3 TC 23 Z9 24 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2004 VL 522 IS 3 BP 598 EP 602 DI 10.1016/j.nima.2003.11.397 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 816GL UT WOS:000221098300036 ER PT J AU Bussmann-Holder, A Micnas, R Bishop, AR AF Bussmann-Holder, A Micnas, R Bishop, AR TI Polaronic origin of the isotope effect on the London penetration depth in high-temperature superconducting oxides SO PHILOSOPHICAL MAGAZINE LA English DT Article ID HIGH-T-C; CUO2 PLANE; CORRELATED ELECTRONS; LA1.85SR0.15CUO4; CARRIERS; STRIPES AB Direct measurements of the in-plane London penetration depth lambda(L) have recently been performed on high-temperature superconducting copper oxides by a new low-energy muon spin rotation technique. The results show that lambda(L) is isotope dependent, evidencing unconventional electron-phonon interactions as its source. The data are interpreted here in terms of polaronic effects on the single-particle energies, which leads to level shifts and exponential band narrowing. Good agreement with the experimental data is obtained. C1 Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. Adam Mickiewicz Univ Poznan, Inst Phys, PL-61614 Poznan, Poland. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Bussmann-Holder, A (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM A.Bussmann-Holder@fkf.mpg.de RI Micnas, Roman/E-9668-2015 NR 35 TC 6 Z9 6 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6443 J9 PHILOS MAG JI Philos. Mag. PD APR 21 PY 2004 VL 84 IS 12 BP 1257 EP 1264 DI 10.1080/14786430310001653521 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 804VE UT WOS:000220325400006 ER PT J AU Ribeiro, RA Bud'ko, SL Laabs, FC Kramer, MJ Canfield, PC AF Ribeiro, RA Bud'ko, SL Laabs, FC Kramer, MJ Canfield, PC TI Growth and physical properties of the decagonal Al-Cu-Co quasicrystal grown from the ternary melt SO PHILOSOPHICAL MAGAZINE LA English DT Article ID TRANSPORT-PROPERTIES; SINGLE-CRYSTALS; QUASICRYSTALS; AL65CU20CO15; SYSTEM; ALLOY; PHASE; SOLIDIFICATION; AL65CU15CO20; NI AB Large faceted single-grain quasicrystals of the approximate composition Al63.2Cu19.5Co17.3 and with a high degree of structural perfection are obtained through the slow cooling of a ternary melt with initial composition Al65Cu29Co6. X-ray diffraction patterns of crushed single-grain samples are exceptionally sharp, indicating a high degree of structural order, with no evidence of secondary phases. Transmission electron micrographs also reveal sharp diffraction patterns in the even-n layers but diffuse scattering in the odd-n layers. Temperature-dependent magnetization, electrical resistivity and specific heat are measured using bars cut perpendicular and parallel to the c axis and show diamagnetic behaviour: gamma approximate to 0.5 mJ mol(-1) K-2, rho(c)(2 K) approximate to 52 muOhm cm and rho(q)(2 K) approximate to 283 muOhm cm. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Ribeiro, RA (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM ribeiro@ameslab.gov RI Ribeiro, Raquel/B-9041-2012; Canfield, Paul/H-2698-2014 OI Ribeiro, Raquel/0000-0001-6075-1701; NR 28 TC 11 Z9 11 U1 0 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6443 J9 PHILOS MAG JI Philos. Mag. PD APR 21 PY 2004 VL 84 IS 12 BP 1291 EP 1302 DI 10.1080/14786430310001647780 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 804VE UT WOS:000220325400009 ER PT J AU Zou, P Osborn, DL AF Zou, P Osborn, DL TI On the mechanism of the HCCO+O-2 reaction: Probing multiple pathways to a single product channel SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ROTATIONAL LINE POSITIONS; ACETYLENE-OXYGEN REACTION; SHOCK WAVES; PHOTODISSOCIATION DYNAMICS; UNIMOLECULAR DISSOCIATION; AROMATIC-HYDROCARBONS; FLASH-PHOTOLYSIS; BRANCHING RATIO; CARBON-MONOXIDE; RATE CONSTANTS AB We explore the mechanism of the HCCO + O-2 reaction using time-resolved Fourier transform spectroscopy. Utilizing an isotopically labeled reactant (O-18(2)) and state-selective product detection, we determine the relative flux through different paths on the potential energy surface leading to a single asymptote: H + CO + CO2. In the labeled reaction, the dominant isotopic products are (CO)-O-18 and (OCO)-O-16-O-18. Combined with data from the corresponding reaction in natural isotopic abundance, these results show that at least 85% of the reactive flux passes through a four-membered OCCO ring intermediate. An alternative reaction path through an energetically allowed three-membered COO ring intermediate represents less than 15% of the total reactive flux. The average energy deposited in vibration of CO and CO2 is in reasonable agreement with a statistical model using the separate statistical ensembles method. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Osborn, DL (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969, Livermore, CA 94551 USA. RI Osborn, David/A-2627-2009 NR 57 TC 12 Z9 12 U1 0 U2 5 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. PD APR 21 PY 2004 VL 6 IS 8 BP 1697 EP 1705 DI 10.1039/b400183d PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 821JB UT WOS:000221455200009 ER PT J AU Rempe, SB Asthagiri, D Pratt, LR AF Rempe, SB Asthagiri, D Pratt, LR TI Inner shell definition and absolute hydration free energy of K+(aq) on the basis of quasi-chemical theory and ab initio molecular dynamics SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article; Proceedings Paper CT 81st International Bunsen Discussion Meeting on Interfacial Water in Chemistry and Biology CY SEP 19-23, 2003 CL Velen, GERMANY ID ION HYDRATION; LI+-ION; SIMULATION; SOLVATION; WATER; PSEUDOPOTENTIALS; 1ST-PRINCIPLES; POTENTIALS; EFFICIENT; DENSITY AB The K+(aq) ion is an integral component of many cellular processes, amongst which the most important, perhaps, is its role in transmitting electrical impulses along the nerve. Understanding its hydration structure and thermodynamics is crucial in dissecting its role in such processes. Here we address these questions using both the statistical mechanical quasi-chemical theory of solutions and ab initio molecular dynamics simulations. Simulations predict an interesting hydration structure for K+(aq): the population of about six (6) water molecules within the initial minimum of the observed g(KO)(r) at infinite dilution involves four (4) innermost molecules that the quasi-chemical theory suggests should be taken as the theoretical inner shell. The contribution of the fifth and sixth closest water molecules is observable as a distinct shoulder on the principal maximum of the g(KO)(r). The quasi-chemical estimate of solvation free energy for the neutral pair KOH is also in good agreement with experiments. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pratt, LR (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM lrp@lanl.gov RI Asthagiri, Dilipkumar/A-3383-2010; Rempe, Susan/H-1979-2011; Pratt, Lawrence/H-7955-2012; Asthagiri, Dilipkumar/P-9450-2016 OI Pratt, Lawrence/0000-0003-2351-7451; Asthagiri, Dilipkumar/0000-0001-5869-0807 NR 34 TC 62 Z9 62 U1 2 U2 11 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. PD APR 21 PY 2004 VL 6 IS 8 BP 1966 EP 1969 DI 10.1039/b313756b PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 821JB UT WOS:000221455200047 ER PT J AU Salve, R Liu, HH Cook, P Czarnomski, A Hu, QH Hudson, D AF Salve, R Liu, HH Cook, P Czarnomski, A Hu, QH Hudson, D TI Unsaturated flow and transport through a fault embedded in fractured welded tuff SO WATER RESOURCES RESEARCH LA English DT Article DE fault; flow; transport ID SOLUTE TRANSPORT; TRACER TESTS; MATRIX DIFFUSION; YUCCA MOUNTAIN; WATER-FLOW; ROCK; SEEPAGE; CHALK; DISPERSION; SURFACES AB To evaluate the importance of matrix diffusion as a mechanism for retarding radionuclide transport in the vicinity of a fault located in unsaturated fractured rock, we carried out an in situ field experiment in the Exploratory Studies Facility at Yucca Mountain, Nevada. This experiment involved the release of similar to82,000 L of water over a period of 17 months directly into a near-vertical fault under both constant positive head (at similar to0.04 m) and decreasing fluxes. A mix of conservative tracers (pentafluorobenzoic acid (PFBA) and bromide (applied in the form of lithium bromide)) was released along the fault over a period of 9 days, 7 months after the start of water release along the fault. As water was released into the fault, seepage rates were monitored in a large cavity excavated below the test bed. After the release of tracers, seepage water was continuously collected from three locations and analyzed for the injected tracers. Observations of bromide concentrations in seepage water during the early stages of the experiment and bromide and PFBA concentrations in the seepage water indicate the significant effects of matrix diffusion on transport through a fault embedded in fractured, welded rock. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. US Geol Survey, Las Vegas, NV 89144 USA. RP Salve, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Mail Stop 14-116,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM r_salve@lbl.gov RI Hu, Qinhong/C-3096-2009 OI Hu, Qinhong/0000-0002-4782-319X NR 38 TC 7 Z9 7 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD APR 21 PY 2004 VL 40 IS 4 AR W04210 DI 10.1029/2003WR002571 PG 12 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 816CS UT WOS:000221088600001 ER PT J AU Holden, NM Fitzgerald, D Ryan, D Tierney, H Murphy, F AF Holden, NM Fitzgerald, D Ryan, D Tierney, H Murphy, F TI Rainfall climate limitation to slurry spreading in Ireland SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE climate; slurry; land spreading; rainfall; map ID SOIL; RUNOFF AB Animal production systems in Ireland are generally based on rotational grass grazing, grass forage conservation, winter housing and indoor winter feeding because of the humid, temperate climate. These systems give rise to the need for slurry storage and land spreading. Slurry spreading in winter can cause pollution due to excessive runoff when soils have a water content above field capacity. A method of determining the rainfall climate limitation to safe slurry spreading is presented for Ireland. The method examines rain gauge records using a filter of set duration, magnitude and shape. If a sequence of days all have less rainfall than the defined filter then a safe spreading day is allotted. Using this approach it is possible to estimate the probability of safe spreading periods arising on an annual basis. Several filter types were tested using 10 rain gauge locations to find the most suitable filter characteristics. A somewhat conservative, off-set V-shaped filter of 8 days duration was then used to evaluate 151 rain gauge records throughout Ireland and produce a map of the probability of safe spreading periods having occurred within the rainfall climate record. Such a map, once combined with other regional scale soil and environmental information could be used for developing national strategies for planning of, and data acquisition for, site-specific, regulated, safe slurry spreading. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Coll Dublin, Dept Agr & Food Engn, Dublin 2, Ireland. Met Eireann, Dublin 9, Ireland. TEAGASC, Crops Res Ctr, Oak Pk, Co Carlow, Ireland. RP Holden, NM (reprint author), Univ Coll Dublin, Dept Agr & Food Engn, Earlsfort Terrace, Dublin 2, Ireland. EM nick.holden@ucd.ie NR 25 TC 5 Z9 6 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD APR 20 PY 2004 VL 122 IS 3-4 BP 207 EP 214 DI 10.1016/j.agrformet.2003.09.008 PG 8 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 808CN UT WOS:000220547300006 ER PT J AU Frank, JH Chen, XL Patterson, BD Settersten, TB AF Frank, JH Chen, XL Patterson, BD Settersten, TB TI Comparison of nanosecond and picosecond excitation for two-photon laser-induced fluorescence imaging of atomic oxygen in flames SO APPLIED OPTICS LA English DT Article ID O-ATOMS; IONIZATION; ABSORPTION AB Two-photon laser-induced fluorescence (LIF) imaging of atomic oxygen is investigated in premixed hydrogen and methane flames with nanosecond and picosecond pulsed lasers at 226 nm. In the hydrogen flame, the interference from photolysis is negligible compared with the LIF signal from native atomic oxygen, and the major limitations on quantitative measurements are stimulated emission and photoionization. Excitation with a nanosecond laser is advantageous in the hydrogen flames, because it reduces the effects of stimulated emission and photuionization. In the methane flames, however, photolytic interference is the major complication for quantitative O-atom measurements. A comparison of methane and hydrogen flames indicates that vibrationally excited CO2 is the dominant precursor for laser-generated atomic oxygen. In the methane flames, picosecond excitation offers a significant advantage by dramatically reducing the photolytic interference. The prospects for improved O-atom imaging in hydrogen and hydrocarbon flames are presented. (C) 2004 Optical Society of America C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Frank, JH (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM jhfrank@ca.sandia.gov RI Settersten, Thomas/B-3480-2009 OI Settersten, Thomas/0000-0002-8017-0258 NR 21 TC 22 Z9 22 U1 2 U2 17 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 20 PY 2004 VL 43 IS 12 BP 2588 EP 2597 DI 10.1364/AO.43.002588 PG 10 WC Optics SC Optics GA 813BN UT WOS:000220882700026 PM 15119630 ER PT J AU Abroe, ME Borrill, J Ferreira, PG Hanay, S Jaffe, A Johnson, B Lee, AT Rabii, B Richards, PL Smoot, G Stompor, R Winant, C Wu, JHP AF Abroe, ME Borrill, J Ferreira, PG Hanay, S Jaffe, A Johnson, B Lee, AT Rabii, B Richards, PL Smoot, G Stompor, R Winant, C Wu, JHP TI Correlations between the Wilkinson Microwave Anisotropy Probe and MAXIMA cosmic microwave background anisotropy maps SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic microwave background; methods : data analysis; methods : statistical ID ANGULAR POWER SPECTRUM; WMAP OBSERVATIONS; COSMOLOGICAL PARAMETERS; SCALE INTERFEROMETER; DATA SETS; COBE DMR; BOOMERANG AB We cross-correlate the cosmic microwave background (CMB) temperature anisotropy maps from the Wilkinson Microwave Anisotropy Probe (WMAP), MAXIMA-1, and MAXIMA-2 experiments. We use the cross spectrum, which is the spherical harmonic transform of the angular two-point correlation function, to quantify the correlation as a function of angular scale. We find that the three possible pairs of cross spectra are in close agreement with each other and with the power spectra of the individual maps. The probability that there is no correlation between the maps is smaller than 1 x 10(-8). We also calculate power spectra for maps made of differences between pairs of maps and show that they are consistent with no signal. The results conclusively show that the three experiments not only display the same statistical properties of the CMB anisotropy, but also detect the same features wherever the observed sky areas overlap. We conclude that the contribution of systematic errors to these maps is negligible and that MAXIMA and WMAP have accurately mapped the CMB anisotropy. C1 Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Univ Oxford, Oxford OX1 3RH, England. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, London SW7 2BW, England. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. Natl Taiwan Univ, Dept Phys, Taipei 106, Taiwan. RP Abroe, ME (reprint author), Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RI Jaffe, Andrew/D-3526-2009; OI WU, JIUN-HUEI/0000-0001-9608-7662 NR 34 TC 16 Z9 16 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2004 VL 605 IS 2 BP 607 EP 613 DI 10.1086/382348 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WL UT WOS:000220801900004 ER PT J AU Liu, SJ Lu, ZB Han, Y Jia, Y Howard, A Dunaway-Mariano, D Herzberg, O AF Liu, SJ Lu, ZB Han, Y Jia, Y Howard, A Dunaway-Mariano, D Herzberg, O TI Conformational flexibility of PEP mutase SO BIOCHEMISTRY LA English DT Article ID PHOSPHOENOLPYRUVATE MUTASE; CRYSTAL-STRUCTURE; ISOCITRATE LYASE; CATALYSIS; BIOSYNTHESIS; LOCATION; BOND AB Previous work has indicated that PEP mutase catalyzes the rearrangement of phosphoenolpyruvate to phosphonopyruvate by a dissociative mechanism. The crystal structure of the mutase with Mg(II) and sulfopyruvate (a phosphonopyruvate analogue) bound showed that the substrate is anchored to the active site by the Mg(II), and shielded from solvent by a large loop (residues 115-133). Here, the crystal structures of wild-type and D58A mutases, in the apo state and in complex with Mg(II), are reported. In both unbound and Mg(II)-bound states, the active site is accessible to the solvent. The loop (residues 115-133), which in the enzyme-inhibitor complexes covers the active site cavity, is partially disordered or adopts a conformation that allows access to the cavity. In the apo state, the residues associated with Mg(II) binding are poised to accept the metal ion. When Mg(II) binds, the coordination is the same as that previously observed in the enzyme-Mg(II) sulfopyruvate complex, except that the coordination positions occupied by two ligand oxygen atoms are occupied by two water molecules. When the loop opens, three key active site residues are displaced from the active site, Lys120, Asn122, and Leu124. Lys120 mediates Mg(II) coordination. Asn122 and Leu124 surround the transferring phosphoryl group, and thus prevent substrate hydrolysis. Amino acid replacement of any one of these three loop residues results in a significant loss of catalytic activity. It is hypothesized that the loop serves to gate the mutase active site. interconverting between an open conformation that allows substrate binding and product release and a closed conformation that separates the reaction site from the solvent during catalysis. C1 Univ Maryland, Maryland Biotechnol Inst, Ctr Adv Res Biotechnol, Rockville, MD 20850 USA. Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. IIT, Biol Chem & Phys Sci Dept, Chicago, IL 60616 USA. RP Herzberg, O (reprint author), Univ Maryland, Maryland Biotechnol Inst, Ctr Adv Res Biotechnol, 9600 Gudelsky Dr, Rockville, MD 20850 USA. EM osnat@carb.nist.gov RI Han, Ying/G-3278-2012; ID, IMCACAT/D-5867-2014 FU NIGMS NIH HHS [GM36260] NR 20 TC 12 Z9 13 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 20 PY 2004 VL 43 IS 15 BP 4447 EP 4453 DI 10.1021/bi036255h PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 812AR UT WOS:000220812900005 PM 15078090 ER PT J AU Schaefer, DW Beaucage, G Loy, DA Shea, KJ Lin, JS AF Schaefer, DW Beaucage, G Loy, DA Shea, KJ Lin, JS TI Structure of arylene-bridged polysilsesquioxane xerogels and aerogels SO CHEMISTRY OF MATERIALS LA English DT Article ID ORGANIC-INORGANIC MATERIALS; SOL-GEL PROCESS; HYBRID MATERIALS; ORGANOSILSESQUIOXANE MATERIALS; TEXTURAL PROPERTIES; SILSESQUIOXANE MATERIALS; CHEMICAL-PROPERTIES; MICROPOROUS SILICA; POROUS SILICA; SCATTERING AB Arylene-bridged polysilsesquioxanes are an interesting class of porous materials prepared by sol-gel processing of ethoxysilane monomers in which there are two or more trialkoxysilyl groups positioned about an arylene bridging group. The majority of these materials are highly porous with surface areas as high as 1880 m(2)/g. In an effort to understand the nature of porosity in these materials, small-angle X-ray and neutron scattering were employed to characterize phenylene-, biphenylene-, and terphenylene-bridged polysilsesquioxanes. Phenylene-bridged polysilsesquioxane xerogels and aerogels were also compared to understand the effect of drying protocol on pore structure. The effect of catalyst concentration is also reported for the base-catalyzed system. In all cases studied here, we find evidence for domains in the nanometer range with distinct fractal character. We associate these domains with porosity rather than microphase separation of organic and inorganic moieties. The nature of this porosity depends on the bridging group in a systematic way, but is only weakly dependent on other synthetic parameters such as catalyst type, catalyst concentration, and drying protocol. C1 Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. Los Alamos Natl Lab, Polymers & Coating Grp, Los Alamos, NM 87545 USA. Univ Calif Irvine, Dept Chem, Irvine, CA 92717 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Schaefer, DW (reprint author), Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. EM dale.schaefer@uc.edu RI Loy, Douglas/D-4847-2009; USAXS, APS/D-4198-2013 OI Loy, Douglas/0000-0001-7635-9958; NR 70 TC 33 Z9 33 U1 1 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 20 PY 2004 VL 16 IS 8 BP 1402 EP 1410 DI 10.1021/cm0350683 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 812QU UT WOS:000220854800005 ER PT J AU Macaluso, RT Moreno, NO Fisk, Z Thompson, JD Chan, JY AF Macaluso, RT Moreno, NO Fisk, Z Thompson, JD Chan, JY TI Structure and magnetism of Ce5Pb3O SO CHEMISTRY OF MATERIALS LA English DT Article ID INTERSTITIAL DERIVATIVES; CE; SYSTEM; LA AB Single crystals of Ce5Pb3O have been synthesized by flux growth. This compound adopts the tetragonal I4/mcm space group with lattice parameters of a = b = 8.5870(2) Angstrom and c = 14.3870(5) Angstrom, Z = 4. The crystal structure of Ce5Pb3O consists of a network of interpenetrating corner-sharing Ce-centered Pb-6 octahedra and O-centered Ce-4 tetrahedra. The tetrahedra are linked to each other by Pb trigonal antiprisms. Magnetization measurements show that Ce5Pb3O orders ferrimagnetically at T-c = 46 K, the second-highest known ordering temperature for any Ce-based intermetallic compound. C1 Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. Los Alamos Natl Lab, Los Alamos, NM 87454 USA. Florida State Univ, NHMFL, Tallahassee, FL 32306 USA. RP Chan, JY (reprint author), Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. EM jchan@lsu.edu RI Moreno, Nelson/H-1708-2012; Chan, Julia/C-5392-2008 OI Moreno, Nelson/0000-0002-1672-4340; Chan, Julia/0000-0003-4434-2160 NR 22 TC 6 Z9 6 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 20 PY 2004 VL 16 IS 8 BP 1560 EP 1563 DI 10.1021/cm0352605 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 812QU UT WOS:000220854800026 ER PT J AU Mozharivskyj, Y Pecharsky, AO Bud'ko, S Miller, GJ AF Mozharivskyj, Y Pecharsky, AO Bud'ko, S Miller, GJ TI Promising thermoelectric material: Zn4Sb3 or Zn6-delta Sb5. Its composition, structure, stability, and polymorphs. Structure and stability of Zn1-delta Sb SO CHEMISTRY OF MATERIALS LA English DT Article ID PHASES AB Composition, crystal structure, and stability of the thermoelectric material, known in the literature as "Zn4Sb3", has been characterized using low- and room-temperature single-crystal X-ray diffraction techniques, as well as in situ room- and high-temperature powder X-ray diffraction methods. We have found that the Zn4Sb3 phase does not exist below 767 K (the beta-gamma transition temperature); it is the Zn6-deltaSb5 phase that is erroneously assigned the Zn4Sb3 composition and is considered to be a promising thermoelectric material. The structure of Zn6-deltaSb5 is similar to that of "Zn4Sb3" but no Zn/Sb mixture is observed on any Sb site. Instead, a significant deficiency on the Zn site is discovered. There are two, not one, as previously reported, Zn6-deltaSb5 polymorphs below room temperature. In dynamic vacuum and at elevated temperatures the Zn6-deltaSb5 phase becomes zinc poorer due to zinc sublimation and eventually decomposes into ZnSb and Zn before reaching its melting temperature of 841 K. The binary Zn1-deltaSb compound also loses zinc in dynamic vacuum and at high temperatures and decomposes into Sb and Zn. The structure of Zn1-deltaSb (CdSb-type) is analyzed using powder X-ray diffraction techniques. C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM gmiller@iastate.edu NR 29 TC 80 Z9 82 U1 3 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 20 PY 2004 VL 16 IS 8 BP 1580 EP 1589 DI 10.1021/cm035274a PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 812QU UT WOS:000220854800029 ER PT J AU Gentle, AP George, ND Miller, WA Kheyfets, A AF Gentle, AP George, ND Miller, WA Kheyfets, A TI Constraints in quantum geometrodynamics SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article DE quantum gravity; canonical quantum gravity ID TIME AB We compare different treatments of the constraints in canonical quantum gravity. The standard approach on the superspace of 3-geometries treats the constraints as the sole carriers of the dynamic content of the theory, thus rendering the traditional dynamical equations obsolete. Quantization of the constraints in both the Dirac and ADM square root Hamiltonian approaches leads to the well known problems of time evolution. These problems of time are of both an interpretational and technical nature. In contrast, the geometrodynamic quantization procedure on the superspace of the true dynamical variables separates the issues of quantization from the enforcement of the constraints. The resulting theory takes into account states that are off-shell with respect to the constraints, and thus avoids the problems of time. We develop, for the first time, the geometrodynamic quantization formalism in a general setting and show that it retains all essential features previously illustrated in the context of homogeneous cosmologies. C1 Univ So Indiana, Dept Math, Evansville, IN 47712 USA. Univ Cambridge, Dept Appl Math & Theoret Phys, Cambridge CB3 0WA, England. Florida Atlantic Univ, Dept Phys, Boca Raton, FL 33431 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. N Carolina State Univ, Dept Math, Raleigh, NC 27695 USA. RP Gentle, AP (reprint author), Univ So Indiana, Dept Math, 8600 Univ Blvd, Evansville, IN 47712 USA. EM apg@lanl.gov; ndg@lanl.gov; wam@fau.edu; akheyfets@earthlink.net NR 12 TC 1 Z9 1 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA JOURNAL DEPT PO BOX 128 FARRER ROAD, SINGAPORE 912805, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 20 PY 2004 VL 19 IS 10 BP 1609 EP 1638 DI 10.1142/S0217751X04017008 PG 30 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 815SP UT WOS:000221062300008 ER PT J AU Saar, MO Manga, M AF Saar, MO Manga, M TI Depth dependence of permeability in the Oregon Cascades inferred from hydrogeologic, thermal, seismic, and magmatic modeling constraints SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article DE permeability; scale; heterogeneity ID SPRING-DOMINATED STREAMS; LONG-VALLEY CALDERA; GROUNDWATER-FLOW; HEAT-FLOW; HYDROTHERMAL CIRCULATION; HYDRAULIC CONDUCTIVITY; SIMULTANEOUS INVERSION; TEMPERATURE PROFILES; CONTINENTAL-CRUST; RECESSION CURVES AB [1] We investigate the decrease in permeability, k, with depth, z, in the Oregon Cascades employing four different methods. Each method provides insight into the average permeability applicable to a different depth scale. Spring discharge models are used to infer shallow (z < 0.1 km) horizontal permeabilities. Coupled heat and groundwater flow simulations provide horizontal and vertical k for z < 1 km. Statistical investigations of the occurrences of earthquakes that are probably triggered by seasonal groundwater recharge yield vertical k for z < 5 km. Finally, considerations of magma intrusion rates and water devolatilization provide estimates of vertical k for z < 15 km. For depths > 0.8 km, our results agree with the power law relationship, k = 10(-14) m(2) (z/1 km)(-3.2), suggested by Manning and Ingebritsen [1999] for continental crust in general. However, for shallower depths (typically z less than or equal to 0.8 km and up to z less than or equal to 2) we propose an exponential relationship, k = 5 x 10(-13) m(2) exp (-z/0.25 km), that both fits data better ( at least for the Cascades and seemingly for continental crust in general) and allows for a finite near-surface permeability and no singularity at zero depth. In addition, the suggested functions yield a smooth transition at z = 0.8 km, where their permeabilities and their gradients are similar. Permeabilities inferred from the hydroseismicity model at Mount Hood are about one order of magnitude larger than expected from the above power law. However, higher permeabilities in this region may be consistent with advective heat transfer along active faults, causing observed hot springs. Our simulations suggest groundwater recharge rates of 0.5 less than or equal to u(R) less than or equal to 1 m/yr and a mean background heat flow of H-b approximate to 0.080-0.134 W/m(2) for the investigated region. C1 Univ Michigan, Dept Geol Sci, Ann Arbor, MI 48109 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Univ Michigan, Dept Geol Sci, 2534 CC Little Bldg,425 E Univ Ave, Ann Arbor, MI 48109 USA. EM msaar@umich.edu; manga@eps.berkeley.edu RI Manga, Michael/D-3847-2013; Saar, Martin/F-3542-2014; OI Saar, Martin/0000-0002-4869-6452; Manga, Michael/0000-0003-3286-4682 NR 83 TC 92 Z9 94 U1 2 U2 18 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR 20 PY 2004 VL 109 IS B4 AR B04204 DI 10.1029/2003JB002855 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 816CD UT WOS:000221087100003 ER PT J AU Gosling, JT Skoug, RM McComas, DJ AF Gosling, JT Skoug, RM McComas, DJ TI Low-energy solar electron bursts and solar wind stream structure at 1 AU SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE solar electron bursts; solar wind structure; solar cycle variation; heliospheric current sheet ID CORONAL MASS EJECTIONS; III RADIO-BURSTS; INTERPLANETARY MEDIUM; MAGNETIC-FIELD; EVENTS; ACCELERATION; PROPAGATION; EMISSION; MAXIMUM AB [1] The solar wind experiment on the Advanced Composition Explorer ( ACE) has detected at least 328 impulsive solar electron bursts at energies below 1.4 keV that exhibited energy and angle dispersion in the interval from 1 January 1998 through 30 September 2003. Some of these bursts could be detected down to energies as low as 73 eV, the lowest energies yet reported for such events. The study interval encompassed the rise to and initial decline from the most recent solar activity maximum. We find that the average rate of occurrence of these electron bursts, which were strongly associated with intense type III radio bursts that extended down close to the local plasma frequency, did not vary significantly as a function of solar activity as measured by smoothed monthly sunspot numbers. The bursts were observed within all types of solar wind flows, including recurrent low-speed and high-speed solar wind and transient disturbances driven by coronal mass ejections; however, the bursts were observed predominantly within low-density solar wind, particularly those bursts that could be detected at the very lowest energies. This preferred association with low-density solar wind suggests the possibility that energy losses to Coulomb collisions in the very inner heliosphere play a significant role in determining which low-energy burst electrons are transmitted to 1 AU. Few low-energy electron bursts were observed in the near-vicinity of the heliospheric current sheet, which indicates that if the bursts are a result of magnetic reconnection in the solar atmosphere the reconnection must usually occur at current sheets that do not extend out into the solar wind. The occurrence of some of the more intense bursts within recurrent high-speed streams, which are thought to originate from coronal holes or their boundary regions, is something of a puzzle. We suggest four possible explanations of this puzzle. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. SW Res Inst, Space Sci & Engn Div, San Antonio, TX 78228 USA. RP Gosling, JT (reprint author), Los Alamos Natl Lab, MS D466, Los Alamos, NM 87545 USA. EM jgosling@lanl.gov; rskoug@lanl.gov; dmccomas@swri.edu NR 32 TC 8 Z9 8 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 20 PY 2004 VL 109 IS A4 AR A04104 DI 10.1029/2003JA010309 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 816CH UT WOS:000221087500007 ER PT J AU Jeon, S Granick, S AF Jeon, S Granick, S TI Polystyrene latex nanoparticles shrink when polyelectrolyte of the same charge is added SO MACROMOLECULES LA English DT Article ID LIGHT-SCATTERING; ELECTROSTATIC INTERACTIONS; FLUORESCENCE ANISOTROPY; PARTICLES; DIFFUSION; MONOMER AB Reversible deswelling of latex nanoparticles, induced by electrostatic repulsion after adding polyelectrolyte (polystyrenesulfonate, PSS) chains of the same charge to suspensions of the particles in deionized water, is shown using time-resolved fluorescence depolarization of fluorescent dyes (Lumogen 5 Yellow 083) impregnated within the nanoparticles, using methods of two-photon excitation. Shrinkage of the particles produced closer spacing between dyes, thus enhancing fluorescence quenching and homo energy transfer, which depolarizes fluorescence emission. Thus, it was observed that the higher the PSS concentration the more rapid decay of fluorescence depolarization on the subnanosecond time scale. When NaCl was subsequently added, screening caused the original particle size to be recovered. Tentatively, the diameter increase was roughly 7%. The spatial resolution provided by two-photon excitation implies that this method can be used to estimate the size changes of particles in situ in concentrated semiturbid solutions. C1 Univ Illinois, Dept Mat Sci Chem & Phys, Urbana, IL 61801 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. RP Granick, S (reprint author), Univ Illinois, Dept Mat Sci Chem & Phys, Urbana, IL 61801 USA. EM sgranick@uiuc.edu NR 18 TC 1 Z9 1 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 20 PY 2004 VL 37 IS 8 BP 2919 EP 2923 DI 10.1021/ma0359640 PG 5 WC Polymer Science SC Polymer Science GA 813HQ UT WOS:000220898600036 ER PT J AU Xu, T Goldbach, JT Misner, MJ Kim, S Gibaud, A Gang, O Ocko, B Guarini, KW Black, CT Hawker, CJ Russell, TP AF Xu, T Goldbach, JT Misner, MJ Kim, S Gibaud, A Gang, O Ocko, B Guarini, KW Black, CT Hawker, CJ Russell, TP TI Scattering study on the selective solvent swelling induced surface reconstruction SO MACROMOLECULES LA English DT Article ID X-RAY-SCATTERING; BLOCK-COPOLYMER LITHOGRAPHY; DIBLOCK COPOLYMERS; NEUTRON-SCATTERING; POLYMER-FILMS; THIN-FILMS; GROWTH; ARRAYS; ROUTE AB A selective solvent induced surface reconstruction of thin films of an asymmetric diblock copolymer of polystyrene-b-methyl methacrylate) was investigated by grazing incidence small-angle X-ray scattering, X-ray reflectivity, and atomic force microscopy. It is quantitatively shown that the selective swelling of the minor component results in the formation of a nanoporous film where the initial hexagonal array of the copolymer is preserved without affecting the lattice constant, 40.7 nm. However, the film thickness increased by similar to17%, and the average electron density decreased by similar to20%. The electron density profiles obtained by fitting the X-ray reflectivity indicate that the pores penetrate through the entire film and that the pores are oriented normal to the surface. C1 Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. Univ Maine, Fac Sci, F-72085 Le Mans 09, France. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. IBM Corp, TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. RP Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. RI Hawker, Craig/G-4971-2011 OI Hawker, Craig/0000-0001-9951-851X NR 24 TC 62 Z9 62 U1 5 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 20 PY 2004 VL 37 IS 8 BP 2972 EP 2977 DI 10.1021/ma0355204 PG 6 WC Polymer Science SC Polymer Science GA 813HQ UT WOS:000220898600043 ER PT J AU Vetter, PA AF Vetter, PA TI Symmetry and QED tests in rare annihilation modes of positronium SO MODERN PHYSICS LETTERS A LA English DT Review DE positronium; QED tests; symmetry tests ID CHARGE-CONJUGATION INVARIANCE; ORTHOPOSITRONIUM DECAY; NEUTRINO EXPERIMENT; STANDARD MODEL; DIRECT SEARCH; 4 PHOTONS; VIOLATION; REST; CPT; ELECTRON AB Recent experiments on positronium annihilation have confirmed QED calculations at high orders of a and tested discrete fundamental symmetries. These measurements search for rare modes of annihilation which are distinguished from backgrounds by their specific decay signatures. New developments in beyond Standard Model theory provide motivation for new measurements of such decays. A brief history of searches for rare annihilation modes of Ps is given. Recent experimental and theoretical developments are reviewed. Experiments currently being planned are discussed. C1 Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Vetter, PA (reprint author), Lawrence Berkeley Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pavetter@lbl.gov OI Vetter, Paul/0000-0003-3318-1920 NR 65 TC 3 Z9 3 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA JOURNAL DEPT PO BOX 128 FARRER ROAD, SINGAPORE 912805, SINGAPORE SN 0217-7323 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD APR 20 PY 2004 VL 19 IS 12 BP 871 EP 885 DI 10.1142/S0217732304013842 PG 15 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA 818AC UT WOS:000221217000001 ER PT J AU Kadau, K Germann, TC Hadjiconstantinou, NG Lomdahl, PS Dimonte, G Holian, BL Alder, BJ AF Kadau, K Germann, TC Hadjiconstantinou, NG Lomdahl, PS Dimonte, G Holian, BL Alder, BJ TI Nanohydrodynamics simulations: An atomistic view of the Rayleigh-Taylor instability SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID EQUILIBRIUM MOLECULAR-DYNAMICS; NUMERICAL-SIMULATION; TRANSITION; GROWTH; FLUIDS; RATES AB Nanohydrodynamics simulations, hydrodynamics on the nanometer and nanosecond scale by molecular dynamics simulations for up to 100 million particles, are performed on the latest generation of supercomputers. Such simulations exhibit Rayleigh-Taylor instability, the mixing of a heavy fluid on top of a light in the presence of a gravitational field, initiated by thermal fluctuations at the interface, leading to the chaotic regime in the long-time evolution of the mixing process. The early-time behavior is in general agreement with linear analysis of continuum theory (Navier-Stokes), and the late-time behavior agrees quantitatively with experimental observations. Nanohydrodynamics provides insights into the turbulent mixing process that are inaccessible to either continuum calculations or to experiment. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. MIT, Dept Mech Engn, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kadau, K (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM kkadau@lanl.gov NR 34 TC 72 Z9 72 U1 3 U2 16 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 20 PY 2004 VL 101 IS 16 BP 5851 EP 5855 DI 10.1073/pnas.0401228101 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 814ME UT WOS:000220978000033 PM 15067117 ER PT J AU Erdmann, N Liu, Y Harrington, L AF Erdmann, N Liu, Y Harrington, L TI Distinct dosage requirements for the maintenance of long and short telomeres in mTert heterozygous mice SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE telomerase reverse transcriptase; haploinsufficiency; genetic instability; telomere signal-free end ID EMBRYONIC STEM-CELLS; CATALYTIC SUBUNIT; SACCHAROMYCES-CEREVISIAE; DYSKERATOSIS-CONGENITA; MOUSE TELOMERASE; DYSFUNCTIONAL TELOMERES; REVERSE-TRANSCRIPTASE; TUMOR-FORMATION; RNA COMPONENT; EST GENES AB Telomerase is a ribonucleoprotein containing an essential telomerase RNA template and telomerase reverse transcriptase (TERT) that maintains telomeres. The dosage requirements for mammalian TERT in telomere length homeostasis are not known, but are of importance in cellular senescence, stem cell renewal, and cancer. Here, we characterize telomere maintenance and function upon successive breeding of mice deficient in mTert. These studies reveal a unique dosage requirement for telomere length maintenance by TERT; despite haploinsufficiency for the maintenance of long telomeres, mTert+/- mice retain minimal telomere DNA at all chromosome ends and do not exhibit the infertility typical of telomerase-deficient strains. Unlike the long (> 50 kbp) average telomere lengths of wild-type laboratory mice, mTert+/- animals mice possess short telomere lengths similar to humans and wild-derived mice. Unexpectedly, mTert+/- mice are ersatz carriers for genetic instability, because their mating led to accelerated genetic instability and infertility in null progeny. Thus, limiting TERT levels play a key role in the maintenance of genome integrity, with important ramifications for the maintenance of short telomeres in human cancer and aging. C1 Ontario Canc Inst, Toronto, ON M5G 2C1, Canada. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. Univ Toronto, Dept Med Biophys, Toronto, ON M5S 1A1, Canada. RP Harrington, L (reprint author), Ontario Canc Inst, 620 Univ Ave, Toronto, ON M5G 2C1, Canada. EM leah@uhnres.utoronto.ca FU NIA NIH HHS [AG16629-04] NR 73 TC 72 Z9 73 U1 0 U2 2 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 20 PY 2004 VL 101 IS 16 BP 6080 EP 6085 DI 10.1073/pnas.0401580101 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 814ME UT WOS:000220978000073 PM 15079066 ER PT J AU Halas, S Durakiewicz, T Mackiewicz, P AF Halas, S Durakiewicz, T Mackiewicz, P TI Temperature-dependent work function shifts of hydrogenated/deuteriated palladium: a new theoretical explanation SO SURFACE SCIENCE LA English DT Article DE chemisorption; deuterium; hydrogen atom; isotopic exchange/traces; palladium; work function measurements ID HYDROGEN ADSORPTION; IMAGE FORCE; FILMS; SURFACES; HYDRIDE; DESORPTION; DEUTERIUM; ELECTRONS; TUNGSTEN; ELEMENTS AB We explain the phenomena of work function (WF) variations of polycrystalline palladium film due to adsorption and absorption of hydrogen. A small increase of the WF observed at temperatures above 120 K is an indication of a spontaneous formation of H- ions at the surface, subsequently dissociating to electrons and neutral atoms which completely desorb at temperatures above 400 K. A large lowering of the WF at low temperatures (about 2 eV at 78 K) is associated with the formation of PdH. This process is treated quantitatively in the frame-work of the metallic plasma model. The mechanism of the isotope effect on the lowering of the WF is explained by the vibrational frequency difference of H and D atoms confined in the palladium lattice. (C) 2004 Elsevier B.V. All rights reserved. C1 Marie Curie Sklodowska Univ, Inst Phys, Mass Spectrometry Lab, PL-20031 Lublin, Poland. Los Alamos Natl Lab, MST 10 Grp, Los Alamos, NM 87545 USA. RP Halas, S (reprint author), Marie Curie Sklodowska Univ, Inst Phys, Mass Spectrometry Lab, Pl M Curie Sklodowskiej 1, PL-20031 Lublin, Poland. EM halas@tytan.umcs.lublin.pl OI Durakiewicz, Tomasz/0000-0002-1980-1874 NR 32 TC 10 Z9 10 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 20 PY 2004 VL 555 IS 1-3 BP 43 EP 50 DI 10.1016/j.susc.2004.03.001 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 813US UT WOS:000220932600007 ER PT J AU Albao, MA Liu, DJ Choi, CH Gordon, MS Evans, JW AF Albao, MA Liu, DJ Choi, CH Gordon, MS Evans, JW TI Atomistic modeling of morphological evolution during simultaneous etching and oxidation of Si(100) SO SURFACE SCIENCE LA English DT Article DE models of surface kinetics; Monte Carlo simulations; etching; oxidation; surface structure, morphology, roughness, and topography; silicon; silicon oxides ID SCANNING-TUNNELING-MICROSCOPY; OXIDE-CLUSTER NUCLEATION; ELEVATED-TEMPERATURES; SI(001) SURFACE; AUTOCATALYTIC REACTION; ELECTRONIC-STRUCTURES; VACANCY DIFFUSION; INITIAL OXIDATION; PASSIVE OXIDATION; OXYGEN-ADSORPTION AB Prolonged exposure of Si(1 0 0) surfaces to oxygen produces: etching at high temperatures (T) characterized by the formation of monolayer-deep elliptical etch pits in successive layers (active oxidation); simultaneous etching and formation of oxide-capped Si-nanoprotrusions at moderate T (transition regime); and rapid coverage of the substrate by an oxide layer at low T (passive oxidation). We develop an atomistic model with the goal of describing evolution of the complex far-from-equilibrium surface morphology for a range of temperatures above and into the transition regime under conditions where etching dominates oxidation. Model development is guided by experimental observations, by general concepts from nucleation theory for the formation of etch pits and oxide islands, and by input from ab-initio quantum chemistry calculations for key aspects of the oxygen adsorption and SiO desorption energetics. (C) 2004 Elsevier B.V. All rights reserved. C1 Iowa State Univ, USDOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Dept Math, Ames, IA 50011 USA. Kyungpook Natl Univ, Dept Chem, Taegu 702701, South Korea. RP Evans, JW (reprint author), Iowa State Univ, USDOE, Ames Lab, Ames, IA 50011 USA. EM evans@ameslab.gov NR 58 TC 12 Z9 12 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 20 PY 2004 VL 555 IS 1-3 BP 51 EP 67 DI 10.1016/j.susc.2004.02.027 PG 17 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 813US UT WOS:000220932600008 ER PT J AU Letant, SE Hart, BR Kane, SR Hadi, MZ Shields, SJ Reynolds, JG AF Letant, SE Hart, BR Kane, SR Hadi, MZ Shields, SJ Reynolds, JG TI Enzyme immobilization on porous silicon surfaces SO ADVANCED MATERIALS LA English DT Article ID ORGANOPHOSPHATE HYDROLASE; CARRIER MATRIX; BIOSENSOR; PHOTOLUMINESCENCE; REACTORS; SUPPORTS; SENSORS AB beta-Glucuronidase enzymes have been attached to a porous silicon surface through a direct silicon-carbon bond based linking system (see Figure). The attached enzymes display high activity and the photoluminescent (PL) properties and surface stability of the porous silicon are retained. Quenching of the PL is observed upon enzymatic breakdown of the substrate, leading to the possibility of a new class of chemical and biological sensors. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Lockheed Martin Corp, Sandia Natl Labs, Livermore, CA 94551 USA. RP Reynolds, JG (reprint author), Lawrence Livermore Natl Lab, 700 E Ave, Livermore, CA 94551 USA. EM reynolds3@llnl.gov NR 24 TC 90 Z9 90 U1 1 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 19 PY 2004 VL 16 IS 8 BP 689 EP + DI 10.1002/adma.200306173 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 818WZ UT WOS:000221276500003 ER PT J AU Staack, D Raitses, Y Fisch, NJ AF Staack, D Raitses, Y Fisch, NJ TI Temperature gradient in Hall thrusters SO APPLIED PHYSICS LETTERS LA English DT Article ID PLASMA; FLOW AB Plasma potentials and electron temperatures were deduced from emissive and cold floating probe measurements in a 2 kW Hall thruster, operated in the discharge voltage range of 200-400 V. An almost linear dependence of the electron temperature on the plasma potential was observed in the acceleration region of the thruster both inside and outside the thruster. This result calls into question whether secondary electron emission from the ceramic channel walls plays a significant role in electron energy balance. The proportionality factor between the axial electron temperature gradient and the electric field is also significantly smaller than might be expected by fluid models. (C) 2004 American Institute of Physics. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Staack, D (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. EM dstaack@princeton.edu RI Staack, David/A-5430-2010 NR 17 TC 21 Z9 22 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 19 PY 2004 VL 84 IS 16 BP 3028 EP 3030 DI 10.1063/1.1710732 PG 3 WC Physics, Applied SC Physics GA 814LI UT WOS:000220975800020 ER PT J AU Kang, BS Kim, DJ Jo, JY Noh, TW Yoon, JG Song, TK Lee, YK Lee, JK Shin, S Park, YS AF Kang, BS Kim, DJ Jo, JY Noh, TW Yoon, JG Song, TK Lee, YK Lee, JK Shin, S Park, YS TI Polarization retention in Pb(Zr0.4Ti0.6)O-3 capacitors with IrO2 top electrodes SO APPLIED PHYSICS LETTERS LA English DT Article ID PB(ZR,TI)O-3 THIN-FILMS; CRYSTALLIZATION; TEMPERATURE; FATIGUE AB The retention characteristics of Ir/IrO2/Pb(Zro(0.4)Ti(0.6))O-3(PZT)/Pt/IrO2 capacitors were investigated by measuring the switching and nonswitching polarizations, the switching current profiles, and the P-V hysteresis loops. The retention losses of Ir/IrO2 /PZT/Pt/IrO2 capacitors were compared with those of the Pt/PZT/Pt capacitors, and a significant improvement of an opposite-state retention was observed. It was found that the growth and the relaxation behaviors of the internal field are quite similar for both capacitors, but that the polarization backswitching becomes significantly smaller for the PZT capacitors with the IrO2 top electrodes. The difference in polarization backswitching might originate from the nature of the ferroelectric/electrode interfaces, possibly suppressing the nucleation of opposite domains at the interfaces. (C) 2004 American Institute of Physics. C1 Seoul Natl Univ NS50, ReCOE, Seoul 151747, South Korea. Seoul Natl Univ NS50, Sch Phys, Seoul 151747, South Korea. Univ Suwon, Dept Phys, Kyonggi Do 445743, South Korea. Changwon Natl Univ, Dept Ceram Sci & Engn, Chang Won 641773, Kyungnam, South Korea. Samsung Adv Inst Technol, Suwon 440600, South Korea. RP Kang, BS (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM bskang@lanl.gov; twnoh@phya.snu.ac.kr RI Kim, Dong Jik/C-4602-2011; Noh, Tae Won /K-9405-2013 OI Kim, Dong Jik/0000-0003-1900-4629; NR 12 TC 36 Z9 36 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 19 PY 2004 VL 84 IS 16 BP 3127 EP 3129 DI 10.1063/1.1710715 PG 3 WC Physics, Applied SC Physics GA 814LI UT WOS:000220975800053 ER PT J AU Larsson, J Sondhauss, P Synnergren, O Harbst, M Heimann, PA Lindenberg, AM Wark, JS AF Larsson, J Sondhauss, P Synnergren, O Harbst, M Heimann, PA Lindenberg, AM Wark, JS TI Time-resolved X-ray diffraction study of the ferroelectric phase-transition in DKDP SO CHEMICAL PHYSICS LA English DT Article ID STRUCTURAL DYNAMICS; PULSES; CRYSTALS; SCATTERING; DOMAINS; KH2PO4; PHONONS; MODE; KDP AB We have performed experiments where DKDP has been irradiated by short (100 fs), laser pulses. Subsequently X-ray pulses with a duration of 100 ps were used as a probe. Time-resolved X-ray diffraction enables monitoring of the transitions between the paraelectric and ferroelectric phases. By recording the intensity of a peak only present in the paraelectric phase, we observe indications of a phase-transition following laser-irradiation of DKDP in the ferroelectric phase. We have estimated the laser heating effect, by measuring the strain (peak shifts) in the diffraction patterns. Furthermore, the orientation of the ferroelectric domains has been observed. In spite of the fact that the temperature did not rise above the Curie temperature, following interaction with this radiation, the polarization of ferroelectric domains was modified. This indicates a mechanism where short pulses impulsively excite phonons. which enable either reversal of entire domains, the shift of domain walls and/or the broadening of the domain wall widths. (C) 2003 Elsevier B.V. All rights reserved. C1 Lund Inst Technol, Atom Phys Div, S-22100 Lund, Sweden. Malmo Univ, S-20506 Malmo, Sweden. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Univ Calif Berkeley, Adv Light Source, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Larsson, J (reprint author), Lund Inst Technol, Atom Phys Div, POB 118, S-22100 Lund, Sweden. EM jorgen.larsson@fysik.lth.se NR 35 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 19 PY 2004 VL 299 IS 2-3 SI SI BP 157 EP 161 DI 10.1016/j.chemphys.2003.11.019 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 807UA UT WOS:000220525200002 ER PT J AU Glover, TE Ackerman, GD Lee, RW Padmore, HA Young, DA AF Glover, TE Ackerman, GD Lee, RW Padmore, HA Young, DA TI Metal-insulator transitions in an expanding metallic fluid: particle formation during femtosecond laser ablation SO CHEMICAL PHYSICS LA English DT Article ID X-RAY-ABSORPTION; SYNCHROTRON-RADIATION; MOLECULAR-DYNAMICS; SILICON; SPECTROSCOPY; SEMICONDUCTORS; FRAGMENTATION; SURFACE; RELAXATION; MECHANISMS AB The formation of particles in a laser ablation plume is a complex process requiring direct local probes. Here, core-level photoemission spectroscopy is extended to the picosecond time domain to probe local expansion dynamics and associated transient chemical properties as a highly pressurized, metallic fluid expands into vacuum following impulsive heating of a semiconductor by an intense. ultrashort laser pulse. These experiments probe constituents species and solidification kinetics occurring in the early moments of material ejection and provide insight into how particles arise in the current laser ablation regime. Photoemission peak shifts reveal rapid metal-insulator phase transitions and support a view of fragmentation over vapor-condensation as the relevant mechanism determining the initial size-distribution of particles. (C) 2004 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Dept Phys, Berkeley, CA 94720 USA. RP Glover, TE (reprint author), Lawrence Berkeley Lab, Adv Light Source Div, Ms 2-345,1 Cyclotron Rd,M-2-400, Berkeley, CA 94720 USA. EM teglover@lbl.gov NR 41 TC 9 Z9 10 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 19 PY 2004 VL 299 IS 2-3 SI SI BP 171 EP 181 DI 10.1016/j.chemphys.2003.11.042 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 807UA UT WOS:000220525200004 ER PT J AU Adams, BW AF Adams, BW TI Time-dependent Takagi-Taupin eikonal theory and applications in the subpicosecond manipulation of X-rays SO CHEMICAL PHYSICS LA English DT Article DE dynamical diffraction; eikonal; Takagi; ultrafast processes ID DYNAMICAL DIFFRACTION; PENDELLOSUNG FRINGES; DISTORTED CRYSTALS; LATTICE-DYNAMICS; SINGLE-CRYSTALS; PULSES; WAVES AB A time-dependent version of the Takagi-Taupin theory of X-ray diffraction is derived in a unified space-time approach, which is particularly applicable to X-ray diffraction in a crystal that is undergoing rapid change on the subpicosecond, and even few-femtosecond. time scale. The theory is applied to the proposal of a class of X-ray optical elements for the subpicosecond manipulation of X-rays. Published by Elsevier B.V. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Adams, BW (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM adams@aps.anl.gov NR 33 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 19 PY 2004 VL 299 IS 2-3 SI SI BP 193 EP 201 DI 10.1016/j.chemphys.2003.12.022 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 807UA UT WOS:000220525200006 ER PT J AU Chen, LX Shaw, GB Liu, T Jennings, G Attenkofer, K AF Chen, LX Shaw, GB Liu, T Jennings, G Attenkofer, K TI Exciplex formation of copper(II) octaethylporphyrin revealed by pulsed X-rays SO CHEMICAL PHYSICS LA English DT Article ID ABSORPTION FINE-STRUCTURE; RESONANCE RAMAN-SPECTROSCOPY; TRANSIENT ABSORPTION; CHARGE-TRANSFER; EXCITED-STATES; STRUCTURAL DYNAMICS; RADICAL CATIONS; PORPHYRINS; DNA; LUMINESCENCE AB The triplet excited structures of Cu(II) octaethylporphyrin (CuOEP) in toluene and in 1: 1 mixture of toluene and tetrahydrofuran (THF) were investigated by time-domain laser pulse pump, X-ray pulse probe X-ray absorption spectroscopy (pump-probe XAS) at room temperature using X-rays from a third generation synchrotron source with 100-ps time resolution. The transient optical absorption measurements indicate a strong solvent dependency of the triplet excited state lifetime due to the presence of oxygen-containing solvent molecules. While the ground state CuOEP molecules remain square-planar in both solvents, the attenuation of a peak attributed to the Is --> 4p(z). transition at the Cu K-edge for the laser excited CuOEP in the THF/toluene mixture revealed the penta-coordinated exciplex formation which is responsible for the shortening of the triplet excited state lifetime. Meanwhile, the average Cu-N distance in the triplet excited state is lengthened by 0.03 Angstrom due to ligation with a THF solvent molecule, which agrees with a domed coordination structure for copper in the penta-coordinated exciplex. Published by Elsevier B.V. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chen, LX (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lchen@anl.gov NR 48 TC 20 Z9 20 U1 3 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 19 PY 2004 VL 299 IS 2-3 SI SI BP 215 EP 223 DI 10.1016/j.chemphys.2003.12.004 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 807UA UT WOS:000220525200008 ER PT J AU Campbell, L Tanaka, S Mukamel, S AF Campbell, L Tanaka, S Mukamel, S TI Ligand effects on the X-ray absorption of a nickel porphyrin complex: a simulation study SO CHEMICAL PHYSICS LA English DT Article ID FINE-STRUCTURE; STRUCTURAL DYNAMICS; CONDENSED-PHASE; EXCITED-STATE; SCATTERING; TETRAPHENYLPORPHYRIN; SPECTROSCOPY; RELEASE; SPECTRA; BINDING AB We present a simulation of the X-ray absorption near-edge spectrum (XANES) of the metal porphyrin NiTPP (nickel tetraphenylporphvrin) and investigate the changes to the spectrum caused by adding piperidine ligands to the metal atom. The main features in the experimental spectrum (Chen et al., Science 292 (2001) 262) are interpreted in terms of changes in the electronic structure. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. Osaka Prefecture Univ, CIAS, Sakai, Osaka 5998531, Japan. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Mukamel, S (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM smukamel@uci.edu NR 32 TC 12 Z9 12 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 19 PY 2004 VL 299 IS 2-3 SI SI BP 225 EP 231 DI 10.1016/j.chemphys.2003.08.032 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 807UA UT WOS:000220525200009 ER PT J AU Thornton, PK Fawcett, RH Galvin, KA Boone, RB Hudson, JW Vogel, CH AF Thornton, PK Fawcett, RH Galvin, KA Boone, RB Hudson, JW Vogel, CH TI Evaluating management options that use climate forecasts: modelling livestock production systems in the semi-arid zone of South Africa SO CLIMATE RESEARCH LA English DT Article DE climate forecast; Republic of South Africa; Savanna ecosystems model; economic value; risk AB Drought is a frequent occurrence in the Northwest Province of South Africa, and it appears to be strongly influenced by El Nino-Southern Oscillation events. The South African Weather Services produce long-term seasonal climate forecasts for 3 and 6 mo in advance that could allow crop and livestock farmers to plan anticipated wet or dry seasons. We describe a simple economic model linked to an ecosystem model, and we report on the results of simulation runs designed to estimate the economic value of climate forecasts in the study area. For the communal farmers of this region, forecasts may have little direct economic value in terms of modifying management decisions, but they may have value in terms of optimal management for asset accumulation. For commercial farmers, model results suggest that long-term average annual income could increase through utilizing forecasts associated with El Nino-Southern Oscillation events, but at the cost of increased year-to-year variability in farm income. More work is required to investigate other possible management responses to forecast information, identify more clearly the situations where climate forecasts are potentially of value, and implement mechanisms for the delivery and utilisation of this information by livestock keepers in the region. C1 ILRI, Nairobi 00100, Kenya. Univ Edinburgh, Inst Atmospher & Environm Sci, Edinburgh EH9 3JG, Midlothian, Scotland. Colorado State Univ, Dept Anthropol, Ft Collins, CO 80523 USA. Colorado State Univ, NREL, Ft Collins, CO 80523 USA. Univ Witwatersrand, Sch Geog Archaeol & Environm Studies, Johannesburg, South Africa. RP Thornton, PK (reprint author), ILRI, POB 30709, Nairobi 00100, Kenya. EM p.thornton@cgiar.org RI Boone, Randall/N-6566-2013 NR 25 TC 22 Z9 23 U1 0 U2 5 PU INTER-RESEARCH PI OLDENDORF LUHE PA NORDBUNTE 23, D-21385 OLDENDORF LUHE, GERMANY SN 0936-577X J9 CLIMATE RES JI Clim. Res. PD APR 19 PY 2004 VL 26 IS 1 BP 33 EP 42 DI 10.3354/cr026033 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 830AY UT WOS:000222095200004 ER PT J AU Chan, BC Hulvey, Z Abney, KD Dorhout, PK AF Chan, BC Hulvey, Z Abney, KD Dorhout, PK TI Synthesis and characterization of AU(2)Se(6) (A = K, Cs) SO INORGANIC CHEMISTRY LA English DT Article ID OXIDE CATALYSTS; URANIUM; SPECTROSCOPY; ELECTRON; THSE3; WAVE AB Two new ternary uranium selenides, AU(2)Se(6) (A = K, Cs), were prepared using the reactive flux method. Single crystal X-ray diffraction was performed on single crystals. The compounds crystallize in the orthorhombic Immm space group, Z = 2. CsU2Se6 has cell parameters of a = 4.046(2) Angstrom, b = 5.559(3) Angstrom, and c = 24.237(12) Angstrom. KU2Se6 has cell parameters of a = 4.058(3) Angstrom, b = 5.556(4) Angstrom, and c = 21.710(17) Angstrom. The compounds are isostructural to the previously reported KTh2Se6. The two-dimensional layered structure is related to ZrSe3 with the alkali metals residing in the interlayer space. The oxidation states of uranium and selenium were evaluated using X-ray photoelectron spectroscopy (XPS). Uranium was found to be tetravalent, while selenium was found to be in two oxidation states, one of which is -2. The other oxidation state is similar to that found in a polyselenide network. While this structure is known, our work examines how the structure changes through the transactinide series. C1 Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. Los Alamos Natl Lab, Div Nucl Mat Technol, Los Alamos, NM 87545 USA. RP Dorhout, PK (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. EM pkd@lamar.colostate.edu NR 19 TC 12 Z9 12 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 19 PY 2004 VL 43 IS 8 BP 2453 EP 2455 DI 10.1021/ic0353209 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 812KM UT WOS:000220838400002 PM 15074957 ER PT J AU Liu, SF Corbett, JD AF Liu, SF Corbett, JD TI Ba2AuTl7: An intermetallic compound with a novel condensed structure SO INORGANIC CHEMISTRY LA English DT Article ID ZINTL BOUNDARY; THALLIUM; CLUSTER; CHEMISTRY; NETWORK; STATE; GOLD; AU; RB; CS AB In this novel motif, thallium and gold atoms define a complex three-dimensional [AuTI7] polyanion in which the barium atoms fill pentagonal cages that are part of highly condensed infinite channels. Relativistic effects appear to be significant in the short Au-TI and TI-TI distances and the bonding by the more electronegative gold. C1 Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. EM jdc@ameslab.gov NR 26 TC 20 Z9 20 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 19 PY 2004 VL 43 IS 8 BP 2471 EP 2473 DI 10.1021/ic035399h PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 812KM UT WOS:000220838400008 PM 15074963 ER PT J AU Rochman, D Tsekhanovich, I Gonnenwein, F Sokolov, V Storrer, F Simpson, G Serot, O AF Rochman, D Tsekhanovich, I Gonnenwein, F Sokolov, V Storrer, F Simpson, G Serot, O TI Super-asymmetric fission in the Cm-245(n(th), f) reaction at the Lohengrin fission-fragment mass separator SO NUCLEAR PHYSICS A LA English DT Article DE NUCLEAR REACTIONS Cm-245(n, f); E = thermal; measured fission fragment mass distribution; isotopic yields; kinetic energy spectra; deduced shell effects; Lohengrin mass separator ID NEUTRON-INDUCED FISSION; NUCLEAR-CHARGE; KINETIC ENERGIES; YIELDS; DISTRIBUTIONS; PRODUCTS; U-238; ISOTOPES; PU-239; HEAVY AB Mass, isotopic yields and single-fragment kinetic energy measurements for thermal-neutron induced fission of Cm-245 at the Lohengrin fission-product mass separator are described. Using an ionization chamber coupled to the mass separator, we have measured the mass and isotopic yields from fragment mass A = 67 up to A = 77 over three yield decades. This considerably extends the data set previously known for the light peak. A full set of data is now available for this actinide in the super-asymmetric mass region. The results of mass and isotopic yields are compared with those of other compound nuclei to highlight the shell effect at mass 70 for the Cm-246* compound-nucleus system. Also, the present results are compared to the data from the European library JEF2 and the evaluation from Wahl's Z(p) model. (C) 2004 Elsevier B.V. All rights reserved. C1 Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Tubingen, D-72076 Tubingen, Germany. PNPI, Gatchina, Russia. CEA Saclay, DRI, F-91191 Gif Sur Yvette, France. CEA Cadarache, F-13108 St Paul Les Durance, France. RP Rochman, D (reprint author), Inst Max Von Laue Paul Langevin, 6 Rue Jules Horowitz,BP 156, F-38042 Grenoble, France. EM rochman@lanl.gov; tsekhano@ill.fr; goennenwein@uni-tuebingen.de; vlsokolo@pnpi.spb.ru; fstorrer@cea.fr; simpson@ill.fr; serot@cea.fr OI Rochman, Dimitri/0000-0002-5089-7034 NR 40 TC 16 Z9 16 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 19 PY 2004 VL 735 IS 1-2 BP 3 EP 20 DI 10.1016/j.nuclphysa.2004.01.121 PG 18 WC Physics, Nuclear SC Physics GA 809OI UT WOS:000220645600001 ER PT J AU Camerini, P Fragiacomo, E Grion, N Piano, S Rui, R Clark, J Felawka, L Gibson, EF Hofman, G Mathie, EL Meier, R Moloney, G Ottewell, D Raywood, K Sevior, ME Smith, GR Tacik, R AF Camerini, P Fragiacomo, E Grion, N Piano, S Rui, R Clark, J Felawka, L Gibson, EF Hofman, G Mathie, EL Meier, R Moloney, G Ottewell, D Raywood, K Sevior, ME Smith, GR Tacik, R CA CHAOS Collaboration TI General properties of the pion production reaction in nuclear matter SO NUCLEAR PHYSICS A LA English DT Article DE NUCLEAR REACTIONS Sc-45(pi(+) ,pi(+)pi(-)); (pi(+) ,pi(+)pi(-)p); (pi(+), 2 pi(+)); (pi(+),2 pi(+) p); E=240-320 MeV; measured sigma(E , theta); invariant mass; total sigma; deduced reaction mechanism features; comparison with previous results and model predictions ID CHIRAL-SYMMETRY; SIGMA-MESON; THRESHOLD; PHYSICS; PI+ AB The pion production reaction pi(+) --> pi(+)pi(+/-) on (SC)-S-45 was studied at incident pion energies of T-pi+ = 240, 260, 280, 300, and 320 MeV The experiment was performed using the M11 pion-channel at TRIUMF, and multiparticle events, (pi(+), pi(+)pi(+/-)) and (pi(+), pi(+)pi(+/-) p), were detected with the CHAOS spectrometer. Results are reported in the form of both differential and total cross sections, and are compared to theoretical predictions and the reaction phase space. The present investigation of the T-dependence of the pi(+) A pi(+)pi(+/-) A' reaction complements earlier examinations of the A-dependence of the reaction, which was measured using H-2 He-4, C-12, O-16, Ca-40, and Pb-208 targets at similar to280 MeV. Some general properties of the pion-induced pion production reaction in nuclear matter will be presented, based on the combined results of the two studies. (C) 2004 Elsevier B.V. All fights reserved. C1 Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Univ Melbourne, Sch Phys, Parkville, Vic 3052, Australia. TRIUMF, Vancouver, BC V6T 2A3, Canada. Calif State Univ Sacramento, Sacramento, CA 95819 USA. Univ Regina, Regina, SK S4S 0A2, Canada. Univ Tubingen, Inst Phys, D-72076 Tubingen, Germany. Jefferson Lab, Newport News, VA 23006 USA. RP Grion, N (reprint author), Ist Nazl Fis Nucl, I-34127 Trieste, Italy. EM nevio.grion@ts.infn.it RI Rui, Rinaldo/L-1926-2015; OI Rui, Rinaldo/0000-0002-6993-0332; Moloney, Glenn/0000-0002-3539-3233 NR 34 TC 13 Z9 13 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 19 PY 2004 VL 735 IS 1-2 BP 89 EP 110 DI 10.1016/j.nuclphysa.2004.01.122 PG 22 WC Physics, Nuclear SC Physics GA 809OI UT WOS:000220645600006 ER PT J AU Kharzeev, D Tuchin, K AF Kharzeev, D Tuchin, K TI Open charm production in heavy ion collisions and the color glass condensate SO NUCLEAR PHYSICS A LA English DT Review ID RADIATIVE ENERGY-LOSS; GLUON DISTRIBUTION-FUNCTIONS; WEIZSACKER-WILLIAMS FIELD; PLUS AU COLLISIONS; HIGH-DENSITY QCD; QUARK PRODUCTION; SMALL-X; NONLINEAR EVOLUTION; NUCLEAR COLLISIONS; CROSS-SECTION AB We consider the production of open charm in heavy ion collisions in the framework of the color glass condensate. In the central rapidity region at RHIC, for the charm quark yield we expect N-coll (number of collisions) scaling in the absence of final-state effects. At higher energies, or forward rapidities at RHIC, the saturation scale exceeds the charm quark mass; we find that this results in the approximate N-part (number of participants) scaling of charm production in AA collisions and rootN(part)(A) scaling in p(d)A collisions, similarly to the production of high-p(T) gluons discussed earlier. We also show that the saturation phenomenon makes spectra harder as compared to the naive parton model approach. We then discuss the energy loss of charm quarks in hot and cold media and argue that the hardness of the spectrum implies very slow dependence of the quenching factor on PT. (C) 2004 Published by Elsevier B.V. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. RP Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM kharzeev@bnl.gov NR 112 TC 60 Z9 60 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 19 PY 2004 VL 735 IS 1-2 BP 248 EP 266 DI 10.1016/j.nuclphysa.2004.01.003 PG 19 WC Physics, Nuclear SC Physics GA 809OI UT WOS:000220645600014 ER PT J AU Lewis, JP Eby, M Weaver, AJ Johnston, ST Jacob, RL AF Lewis, JP Eby, M Weaver, AJ Johnston, ST Jacob, RL TI Global glaciation in the Neoproterozoic: Reconciling previous modelling results SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SNOWBALL EARTH; SEA-ICE; CLIMATE; SIMULATIONS; OCEAN AB Recent Neoproterozoic climate modelling experiments using different sea ice components have yielded opposing results. Here we have attempted to reconcile these differences through the implementation of various representations of sea ice in the University of Victoria Earth System Climate Model. In particular, using a sea ice model similar to that of the Fast Ocean Atmosphere Model version 1.4, global glaciation is not achievable, whereas it occurs with an energy-conserving version of a more physically complete thermodynamic model. We argue that using a physically incomplete representation of sea ice may be a major factor in the inability of some previous coupled models to simulate global glaciations. C1 Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC V8W 3P6, Canada. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lewis, JP (reprint author), Univ Victoria, Sch Earth & Ocean Sci, POB 3055, Victoria, BC V8W 3P6, Canada. EM weaver@ocean.seos.uvic.ca RI Jacob, Robert/D-2580-2011; Weaver, Andrew/E-7590-2011; Eby, Michael/H-5278-2013 OI Jacob, Robert/0000-0002-9444-6593; NR 15 TC 11 Z9 11 U1 1 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 17 PY 2004 VL 31 IS 8 AR L08201 DI 10.1029/2004GL019725 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 815YB UT WOS:000221076500007 ER PT J AU Mar, R Pajukanta, P Allayee, H Groenendijk, M Dallinga-Thie, G Krauss, RM Sinsheimer, JS Cantor, RM de Bruin, TWA Lusis, AJ AF Mar, R Pajukanta, P Allayee, H Groenendijk, M Dallinga-Thie, G Krauss, RM Sinsheimer, JS Cantor, RM de Bruin, TWA Lusis, AJ TI Association of the APOLIPOPROTEIN A1/C3/A4/A5 gene cluster with triglyceride levels and LDL particle size in familial combined hyperlipidemia SO CIRCULATION RESEARCH LA English DT Article DE genetics; coronary artery disease; apolipoproteins ID CORONARY HEART-DISEASE; ATHEROGENIC LIPOPROTEIN PHENOTYPE; A-IV GENE; C-III; COMBINED HYPERLIPEMIA; LINKAGE ANALYSIS; STABLE ISOTOPES; LIPID-LEVELS; APOA5 GENE; CIII AB The APOLIPOPROTEIN (APO) A1/C3/A4/A5 gene cluster on chromosome 11 has been hypothesized to be a modifier of plasma triglycerides in FCH. In the present study, we extended previous association analyses of the gene cluster to include APOA5, a newly discovered member of the cluster. Eight SNPs across the APOA1/C3/A4/A5 gene region were analyzed in 78 FCH probands and their normolipidemic spouses as well as in 27 Dutch FCH families. Of the individual SNPs tested in the case-control panel, the strongest evidence of association was obtained with SNPs in APOA1 (P=0.001) and APOA5 (P=0.001). A single haplotype defined by a missense mutation in APOA5 was enriched 3-fold in FCH probands when compared with the normolipidemic spouses (P=0.001) and a second haplotype was significantly enriched in the spouses ( P=0.001). Family-based tests also indicated significant association of triglyceride levels and LDL particle size with the investigated SNPs of APOC3 and APOA5. These findings suggest that genetic variation in the APOA1/C3/A4/A5 gene cluster acts as a modifier of plasma triglyceride levels and LDL particle size within FCH families and furthermore indicate that a number of haplotypes may contribute to FCH. C1 Univ Calif Los Angeles, Dept Human Genet, Los Angeles, CA USA. Univ Calif Los Angeles, Dept Microbiol & Mol Genet, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Dept Med, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Dept Pediat, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Dept Biostat, Los Angeles, CA 90024 USA. Univ Calif Los Angeles, Dept Biomath, Los Angeles, CA 90024 USA. Univ Utrecht, Med Ctr, Dept Vasc Med, Utrecht, Netherlands. Lawrence Berkeley Natl Lab, Genome Sci Dept, Berkeley, CA USA. Acad Hosp Maastricht, Dept Med, Maastricht, Netherlands. Acad Hosp Maastricht, Cardiovasc Res Inst, Maastricht, Netherlands. RP Mar, R (reprint author), Gonda Genet Res Ctr, Dept Human Genet, 695 Charles Young Dr S,Room 6524, Los Angeles, CA 90095 USA. EM beccamar@ucla.edu FU NHGRI NIH HHS [T32 HG02536]; NHLBI NIH HHS [HL-18574, HL-28481, HL-69757, HL-66691]; NIGMS NIH HHS [5-T32-GM08243-15]; NIMH NIH HHS [MH59490] NR 51 TC 66 Z9 67 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0009-7330 J9 CIRC RES JI Circ.Res. PD APR 16 PY 2004 VL 94 IS 7 BP 993 EP 999 DI 10.1161/01.RES.0000124922.61830.F0 PG 7 WC Cardiac & Cardiovascular Systems; Hematology; Peripheral Vascular Disease SC Cardiovascular System & Cardiology; Hematology GA 816MG UT WOS:000221113400020 PM 15001527 ER PT J AU Gidalevitz, T Biswas, C Ding, H Schneidman-Duhovny, D Wolfson, HJ Stevens, F Radford, S Argon, Y AF Gidalevitz, T Biswas, C Ding, H Schneidman-Duhovny, D Wolfson, HJ Stevens, F Radford, S Argon, Y TI Identification of the N-terminal peptide binding site of glucose-regulated protein 94 SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID HSP90 MOLECULAR CHAPERONE; ENDOPLASMIC-RETICULUM; CRYSTAL-STRUCTURE; VIRAL PEPTIDE; GP96; GRP94; AFFINITY; DOMAIN; HSP70; BETA(2)-MICROGLOBULIN AB Because the stress protein GRP94 can augment presentation of peptides to T cells, it is important to define how it, as well as all other HSP90 family members, binds peptides. Having previously shown that the N-terminal half of GRP94 can account for the peptide binding activity of the full-length protein, we now locate this binding site by testing predictions of a molecular docking model. The best predicted site was on the opposite face of the beta sheet from the pan-HSP90 radicicol-binding pocket, in close proximity to a deep hydrophobic pocket. The peptide and radicicol-binding sites are distinct, as shown by the ability of a radicicol-refractive mutant to bind peptide. When the fluorophore acrylodan is attached to Cys(117) within the hydrophobic pocket, its fluorescence is reduced upon peptide binding, consistent with proximity of the two ligands. Substitution of His(125), which contacts the bound peptide, compromises peptide-binding activity. We conclude that peptide binds to the concave face of the beta sheet of the N-terminal domain, where binding is regulated during the action cycle of the chaperone. C1 Univ Penn, Childrens Hosp Philadelphia, Div Cell Pathol, Philadelphia, PA 19104 USA. Univ Chicago, Dept Pathol, Chicago, IL 60637 USA. Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Comp Sci, IL-69978 Tel Aviv, Israel. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Leeds, Sch Biochem & Mol Biol, Leeds LS2 9JT, W Yorkshire, England. RP Argon, Y (reprint author), Univ Penn, Childrens Hosp Philadelphia, Div Cell Pathol, 3615 Civ Ctr Blvd, Philadelphia, PA 19104 USA. EM yargon@mail.med.upenn.edu RI Gidalevitz, Tali/C-9217-2009; Wolfson, Haim/A-1837-2011; OI Radford, Sheena/0000-0002-3079-8039 FU NCI NIH HHS [CA-74182]; NIAID NIH HHS [AI-30178]; NIDDK NIH HHS [DK43757] NR 45 TC 48 Z9 53 U1 0 U2 1 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 16 PY 2004 VL 279 IS 16 BP 16543 EP 16552 DI 10.1074/jbc.M313060200 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 811BR UT WOS:000220747900104 PM 14754890 ER PT J AU Melnyk, RA Kim, S Curran, AR Engelman, DM Bowie, JU Deber, CM AF Melnyk, RA Kim, S Curran, AR Engelman, DM Bowie, JU Deber, CM TI The affinity of GXXXG motifs in transmembrane helix-helix interactions is modulated by long-range communication SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID M13 COAT PROTEIN; GLYCOPHORIN-A; MEMBRANE-PROTEIN; POLAR RESIDUES; ALPHA-HELICES; CROSS-LINKING; ION-CHANNEL; DOMAIN; ASSOCIATION; DIMER AB Sequence motifs are responsible for ensuring the proper assembly of transmembrane (TM) helices in the lipid bilayer. To understand the mechanism by which the affinity of a common TM-TM interactive motif is controlled at the sequence level, we compared two well characterized GXXXG motif-containing homodimers, those formed by human erythrocyte protein glycophorin A (GpA, high-affinity dimer) and those formed by bacteriophage M13 major coat protein (MCP, low affinity dimer). In both constructs, the GXXXG motif is necessary for TM-TM association. Although the remaining interfacial residues (underlined) in GpA ((LI) under bar XXG (V) under bar XXG (V) under bar XX (T) under bar) differ from those in MCP ( (VV) under bar XXG (A) under bar XXG (I) under bar XX (F) under bar), molecular modeling performed here indicated that GpA and MCP dimers possess the same overall fold. Thus, we could introduce GpA interfacial residues, alone and in combination, into the MCP sequence to help decrypt the determinants of dimer affinity. Using both in vivo TOXCAT assays and SDS-PAGE gel migration rates of synthetic peptides derived from TM regions of the proteins, we found that the most distal interfacial sites, 12 residues apart (and similar to18 Angstrom in structural space), work in concert to control TM-TM affinity synergistically. C1 Hosp Sick Children, Res Inst, Div Struct Biol & Biochem, Toronto, ON M5G 1X8, Canada. Univ Toronto, Dept Biochem, Toronto, ON M5S 1A8, Canada. Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, UCLA DOE Ctr Genom & Proteom, Los Angeles, CA 90095 USA. Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA. RP Deber, CM (reprint author), Hosp Sick Children, Res Inst, Div Struct Biol & Biochem, 555 Univ Ave, Toronto, ON M5G 1X8, Canada. EM donald.engelman@yale.edu; bowie@mbi.ucla.edu; deber@sickkids.ca FU NIGMS NIH HHS [GM063919, GM54160, R01 GM063919, R01 GM063919-04, R01 GM063919-05, R01 GM063919-06, R01 GM063919-07, R01 GM063919-08] NR 43 TC 89 Z9 89 U1 1 U2 4 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 16 PY 2004 VL 279 IS 16 BP 16591 EP 16597 DI 10.1074/jbc.M313936200 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 811BR UT WOS:000220747900109 PM 14766751 ER PT J AU Kim, S Zhang, ZM Upchurch, S Isern, N Chen, Y AF Kim, S Zhang, ZM Upchurch, S Isern, N Chen, Y TI Structure and DNA-binding sites of the SWI1 AT-rich interaction domain (ARID) suggest determinants for sequence-specific DNA recognition SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID NMR STRUCTURE CALCULATION; DEAD RINGER GENE; CHEMICAL-SHIFT; PROTEINS; COMPLEX; FAMILY; DYNAMICS; ASSIGNMENT; HOMOLOGY; MEMBER AB ARID ((A) under barT-(r) under bar ich (i) under bar nteraction (d) under bar omain) is a homologous family of DNA-binding domains that occur in DNA-binding proteins from a wide variety of species, ranging from yeast to nematodes, insects, mammals, and plants. SWI1, a member of the SWI/SNF protein complex that is involved in chromatin remodeling during transcription, contains the ARID motif. The ARID domain of human SWI1 (also known as p270) does not select for a specific DNA sequence from a random sequence pool. The lack of sequence specificity shown by the SWI1 ARID domain stands in contrast to the other characterized ARID domains, which recognize specific AT-rich sequences. We have solved the three-dimensional structure of human SWI1 ARID using solution NMR methods. In addition, we have characterized nonspecific DNA binding by the SWI1 ARID domain. Results from this study indicate that a flexible, long, internal loop in the ARID motif is likely to be important for sequence-specific DNA recognition. The structure of the human SWI1 ARID domain also represents a distinct structural subfamily. Studies of ARID indicate that the boundary of DNA binding structural and functional domains can extend beyond the sequence homologous region in a homologous family of proteins. Structural studies of homologous domains such as the ARID family of DNA-binding domains should provide information to better predict the boundary of structural and functional domains in structural genomic studies. C1 City Hope Natl Med Ctr, Beckman Res Inst, Div Immunol, Duarte, CA 91010 USA. City Hope Natl Med Ctr, Beckman Res Inst, Grad Sch Biol Sci, Duarte, CA 91010 USA. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Chen, Y (reprint author), City Hope Natl Med Ctr, Beckman Res Inst, Div Immunol, 1450 E Duarte Rd, Duarte, CA 91010 USA. OI Isern, Nancy/0000-0001-9571-8864 FU NIGMS NIH HHS [GM54190] NR 31 TC 18 Z9 21 U1 0 U2 2 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 16 PY 2004 VL 279 IS 16 BP 16670 EP 16676 DI 10.1074/jbc.M312115200 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 811BR UT WOS:000220747900119 PM 14722072 ER PT J AU Abbasi, RU Abu-Zayyad, T Amann, JF Archbold, G Bellido, JA Belov, K Belz, JW Bergman, DR Cao, Z Clay, RW Cooper, MD Dai, H Dawson, BR Everett, AA Fedorova, YA Girard, JHV Gray, RC Hanlon, WF Hoffman, CM Holzscheiter, MH Huntemeyer, P Jones, BF Jui, CCH Kieda, DB Kim, K Kirn, MA Loh, EC Manago, N Marek, LJ Martens, K Martin, G Matthews, JAJ Matthews, JN Meyer, JR Moore, SA Morrison, P Moosman, AN Mumford, JR Munro, MW Painter, CA Perera, L Reil, K Riehle, R Roberts, M Sarracino, JS Sasaki, M Schnetzer, SR Shen, P Simpson, KM Sinnis, G Smith, JD Sokolsky, P Song, C Springer, RW Stokes, BT Taylor, SF Thomas, SB Thompson, TN Thomson, GB Tupa, D Westerhoff, S Wiencke, LR VanderVeen, TD Zech, A Zhang, X AF Abbasi, RU Abu-Zayyad, T Amann, JF Archbold, G Bellido, JA Belov, K Belz, JW Bergman, DR Cao, Z Clay, RW Cooper, MD Dai, H Dawson, BR Everett, AA Fedorova, YA Girard, JHV Gray, RC Hanlon, WF Hoffman, CM Holzscheiter, MH Huntemeyer, P Jones, BF Jui, CCH Kieda, DB Kim, K Kirn, MA Loh, EC Manago, N Marek, LJ Martens, K Martin, G Matthews, JAJ Matthews, JN Meyer, JR Moore, SA Morrison, P Moosman, AN Mumford, JR Munro, MW Painter, CA Perera, L Reil, K Riehle, R Roberts, M Sarracino, JS Sasaki, M Schnetzer, SR Shen, P Simpson, KM Sinnis, G Smith, JD Sokolsky, P Song, C Springer, RW Stokes, BT Taylor, SF Thomas, SB Thompson, TN Thomson, GB Tupa, D Westerhoff, S Wiencke, LR VanderVeen, TD Zech, A Zhang, X CA High Resolution Flys Eye Collabora TI Measurement of the flux of ultrahigh energy cosmic rays from monocular observations by the high resolution fly's eye experiment SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPECTRUM; ORIGIN AB We have measured the cosmic ray spectrum above 10(17.2) eV using the two air-fluorescence detectors of the High Resolution Fly's Eye observatory operating in monocular mode. We describe the detector, phototube, and atmospheric calibrations, as well as the analysis techniques for the two detectors. We fit the spectrum to a model consisting of galactic and extragalactic sources. C1 Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Univ Utah, High Energy Astrophys Inst, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Adelaide, Dept Phys, Adelaide, SA 5005, Australia. Univ Montana, Dept Phys & Astron, Missoula, MT 59812 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. Columbia Univ, Dept Phys, New York, NY 10533 USA. Columbia Univ, Nevis Lab, New York, NY 10533 USA. RP Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. RI Song, Chihwa/A-3455-2008; Martens, Kai/A-4323-2011; Belov, Konstantin/D-2520-2013; OI Girard, Julien/0000-0001-8627-0404 NR 24 TC 188 Z9 191 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 151101 DI 10.1103/PhysRevLett.92.151101 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000008 PM 15169276 ER PT J AU Gilson, EP Davidson, RC Efthimion, PC Majeski, R AF Gilson, EP Davidson, RC Efthimion, PC Majeski, R TI Paul trap simulator experiment to model intense-beam propagation in alternating-gradient transport systems SO PHYSICAL REVIEW LETTERS LA English DT Article AB The results presented here demonstrate that the Paul trap simulator experiment (PTSX) simulates the propagation of intense charged particle beams over distances of many kilometers through magnetic alternating-gradient (AG) transport systems by making use of the similarity between the transverse dynamics of particles in the two systems. Plasmas have been trapped that correspond to normalized intensity parameters (s) over cap=omega(p)(2)(0)/2omega(q)(2)less than or equal to0.8, where omega(p)(r) is the plasma frequency and omega(q) is the average transverse focusing frequency in the smooth-focusing approximation. The measured rms radius of the beam is consistent with a model, equally applicable to both PTSX and AG systems. The PTSX device confines one-component cesium ion plasmas for hundreds of milliseconds, which is equivalent to over 10 km of beam propagation. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Gilson, EP (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM egilson@pppl.gov NR 12 TC 41 Z9 41 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 155002 DI 10.1103/PhysRevLett.92.155002 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000023 PM 15169291 ER PT J AU Limpijumnong, S Zhang, SB Wei, SH Park, CH AF Limpijumnong, S Zhang, SB Wei, SH Park, CH TI Doping by large-size-mismatched impurities: The microscopic origin of arsenic- or antimony-doped p-type zinc oxide SO PHYSICAL REVIEW LETTERS LA English DT Article ID ZNO THIN-FILMS; ROOM-TEMPERATURE; GA AB Based on first-principles calculations, a model for large-size-mismatched group-V dopants in ZnO is proposed. The dopants do not occupy the O sites as is widely perceived, but rather the Zn sites: each forms a complex with two spontaneously induced Zn vacancies in a process that involves fivefold As coordination. Moreover, an As-Zn-2V(Zn) complex may have lower formation energy than any of the parent defects. Our model agrees with the recent observations that both As and Sb have low acceptor-ionization energies and that to obtain p-type ZnO requires O-rich growth or annealing conditions. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Suranaree Univ Technol, Inst Sci, Sch Phys, Nakhon Ratchasima 30000, Thailand. Pusan Natl Univ, Res Ctr Dielect & Adv Matter Phys, Pusan 609735, South Korea. RP Limpijumnong, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013 OI Zhang, Shengbai/0000-0003-0833-5860 NR 20 TC 440 Z9 462 U1 3 U2 106 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 155504 DI 10.1103/PhysRevLett.92.155504 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000028 PM 15169296 ER PT J AU Moore, ID Bailey, K Greene, J Lu, ZT Muller, P O'Connor, TP Geppert, C Wendt, KDA Young, L AF Moore, ID Bailey, K Greene, J Lu, ZT Muller, P O'Connor, TP Geppert, C Wendt, KDA Young, L TI Counting individual Ca-41 atoms with a magneto-optical trap SO PHYSICAL REVIEW LETTERS LA English DT Article ID BONE-RESORPTION; TRACER AB Atom trap trace analysis, a novel method based upon laser trapping and cooling, is used to count individual atoms of Ca-41 present in biomedical samples with isotopic abundance levels between 10(-8) and 10(-10). The method is calibrated against resonance ionization mass spectrometry, demonstrating good agreement between the two methods. The present system has a counting efficiency of 2x10(-7). Within 1 h of observation time, its 3-sigma detection limit on the isotopic abundance of Ca-41 reaches 4.5x10(-10). C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Moore, ID (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM iain.moore@phys.jyu.fi; lu@anl.gov; klaus.wendt@uni-mainz.de RI Mueller, Peter/E-4408-2011; Wendt, Klaus/D-7306-2011; Moore, Iain/D-7255-2014 OI Mueller, Peter/0000-0002-8544-8191; Wendt, Klaus/0000-0002-9033-9336; Moore, Iain/0000-0003-0934-8727 NR 21 TC 20 Z9 20 U1 0 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 153002 DI 10.1103/PhysRevLett.92.153002 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000013 PM 15169281 ER PT J AU Reichhardt, CJO Hastings, MB AF Reichhardt, CJO Hastings, MB TI Do vortices entangle? SO PHYSICAL REVIEW LETTERS LA English DT Article ID T-C SUPERCONDUCTORS; HIGH-TEMPERATURE SUPERCONDUCTORS; 1ST-ORDER MELTING TRANSITION; MONTE-CARLO-SIMULATION; FLUX-LINE; II SUPERCONDUCTORS; VORTEX LATTICE; ANISOTROPIC SUPERCONDUCTORS; PHASE-TRANSITIONS; HELICITY MODULUS AB We propose an experiment for directly constructing and locally probing topologically entangled states of superconducting vortices which can be performed with present-day technology. Calculations using an elastic string vortex model indicate that as the pitch (the winding angle divided by the vertical distance) increases, the vortices approach each other. At values of the pitch higher than a maximum value the entangled state becomes unstable to collapse via a singularity of the model. We provide predicted experimental signatures for both vortex entanglement and vortex cutting. The local probe we propose can also be used to explore a wide range of other quantities. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 NR 48 TC 17 Z9 17 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 157002 DI 10.1103/PhysRevLett.92.157002 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000040 ER PT J AU Zhang, C Du, MH Cheng, HP Zhang, XG Roitberg, AE Krause, JL AF Zhang, C Du, MH Cheng, HP Zhang, XG Roitberg, AE Krause, JL TI Coherent electron transport through an azobenzene molecule: A light-driven molecular switch SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHOTOISOMERIZATION; RESISTANCE; WIRES AB We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photoexcitation. We find that the conductance of the two isomers varies dramatically, which suggests that this system has potential application as a molecular device. A detailed analysis of the band structure of the metal leads and the local density of states of the system reveals the mechanism of the switch. C1 Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Florida, Dept Chem, Gainesville, FL 32611 USA. RP Cheng, HP (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. RI Roitberg, Adrian/A-2378-2009; Du, Mao-Hua/B-2108-2010; Zhang, Chun/F-7638-2012 OI Du, Mao-Hua/0000-0001-8796-167X; Zhang, Chun/0000-0002-1581-5806 NR 21 TC 177 Z9 179 U1 6 U2 44 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 158301 DI 10.1103/PhysRevLett.92.158301 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000054 PM 15169322 ER PT J AU Zhang, J Lyo, SK Du, RR Simmons, JA Reno, JL AF Zhang, J Lyo, SK Du, RR Simmons, JA Reno, JL TI Oscillatory magnetothermopower and resonant phonon drag in a high-mobility 2D electron gas SO PHYSICAL REVIEW LETTERS LA English DT Article ID THERMOELECTRIC-POWER; THERMOPOWER; HETEROJUNCTIONS; QUASI-2D; FIELD; 3D AB Experimental and theoretical evidence is presented for new low-magnetic-field (B<5 kG) 1/B oscillations in the thermoelectric power of a high-mobility GaAs/AlGaAs two-dimensional (2D) electron gas. The oscillations result from inter-Landau-level resonances of acoustic phonons carrying a momentum equal to twice the Fermi wave number at B=0. Numerical calculations show that both 3D and 2D phonons can contribute to this effect. C1 Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhang, J (reprint author), Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. NR 17 TC 19 Z9 19 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 16 PY 2004 VL 92 IS 15 AR 156802 DI 10.1103/PhysRevLett.92.156802 PG 4 WC Physics, Multidisciplinary SC Physics GA 814RY UT WOS:000220993000036 PM 15169304 ER PT J AU Bishop, JKB Wood, TJ Davis, RE Sherman, JT AF Bishop, JKB Wood, TJ Davis, RE Sherman, JT TI Robotic observations of enhanced carbon biomass and export at 55 degrees S during SOFeX SO SCIENCE LA English DT Article ID SOUTHERN-OCEAN; IRON FERTILIZATION; PACIFIC; VERTEX AB Autonomous. oats pro. ling in high-nitrate low-silicate waters of the Southern Ocean observed carbon biomass variability and carbon exported to depths of 100 m during the 2002 Southern Ocean Iron Experiment (SOFeX) to detect the effects of iron fertilization of surface water there. Control and "in-patch" measurements documented a greater than fourfold enhancement of carbon biomass in the iron-amended waters. Carbon export through 100 m increased two- to sixfold as the patch subducted below a front. The molar ratio of iron added to carbon exported ranged between 10(4) and 10(5). The biomass buildup and export were much higher than expected for iron-amended low-silicate waters. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Bishop, JKB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM JKBishop@lbl.gov OI Davis, Russ/0000-0003-1903-6313 NR 14 TC 74 Z9 77 U1 2 U2 23 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 16 PY 2004 VL 304 IS 5669 BP 417 EP 420 DI 10.1126/science.1087717 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 812NE UT WOS:000220845400041 PM 15087544 ER PT J AU Choe, SB Acremann, Y Scholl, A Bauer, A Doran, A Stohr, J Padmore, HA AF Choe, SB Acremann, Y Scholl, A Bauer, A Doran, A Stohr, J Padmore, HA TI Vortex core-driven magnetization dynamics SO SCIENCE LA English DT Article ID EXCITATIONS AB Time-resolved x-ray imaging shows that the magnetization dynamics of a micron-sized pattern containing a ferromagnetic vortex is determined by its handedness, or chirality. The out-of-plane magnetization in the nanometer-scale vortex core induces a three-dimensional handedness in the planar magnetic structure, leading to a precessional motion of the core parallel to a subnanosecond field pulse. The core velocity was an order of magnitude higher than expected from the static susceptibility. These results demonstrate that handedness, already well known to be important in biological systems, plays an important role in the dynamics of microscopic magnets. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Free Univ Berlin, D-14195 Berlin, Germany. RP Choe, SB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SBChoe@lbl.gov RI Scholl, Andreas/K-4876-2012 NR 11 TC 393 Z9 397 U1 5 U2 57 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 16 PY 2004 VL 304 IS 5669 BP 420 EP 422 DI 10.1126/science.1095068 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 812NE UT WOS:000220845400042 PM 15087545 ER PT J AU Gazda, DB Fritz, JS Porter, MD AF Gazda, DB Fritz, JS Porter, MD TI Determination of nickel(II) as the nickel dimethylglyoxime complex using colorimetric solid phase extraction SO ANALYTICA CHIMICA ACTA LA English DT Article DE colorimetric solid phase extraction; nickel; dimethylglyoxime; diffuse reflectance spectroscopy ID DIFFUSE REFLECTION SPECTROSCOPY; CHROMATICITY CHARACTERISTICS; RAPID-DETERMINATION; DRINKING-WATER; SAMPLES; TRACES AB Colorimetric solid phase extraction (C-SPE) is an analytical technique in which analytes in water samples are extracted onto a solid adsorbent matrix impregnated with a colorimetric reagent and then quantified directly on the adsorbent surface using diffuse reflectance spectroscopy. This paper presents a further development in C-SPE. In this case, the reagent employed to detect the analyte is not impregnated on the extraction medium. Instead, the reagent is weakly immobilized on a solid support (i.e., filter paper) and released into the sample as it flows through the support. The reagent complexes the analyte in solution, forming a highly colored precipitate that is collected on the surface of an extraction membrane. The concentration of analyte is determined using the Kubelka-Munk function calculated from the diffuse reflectance spectrum of the precipitate on the membrane surface. This precipitation-spectrophotometric platform is extensively evaluated by determining nickel(II) using dimethylglyoxime (DMG) as the precipitating reagent. The ability to optimize reaction conditions with immobilized reagents by in-line buffering is also demonstrated. Specifically, borax buffer was utilized to adjust the pH of nickel(II) samples prepared in deionized water. This combination of immobilized buffer and reagent allows C-SPE to operate in a solid-phase mode in which all the reagents requisite for optimal analyte determination are immobilized on solid supports. Using this method, nickel(II) was determined in a single processing step over the concentration range 0.50-5.0 ppm in similar to40 s with 1.0 ml sample volumes. (C) 2003 Elsevier B.V. All rights reserved. C1 Iowa State Univ Sci & Technol, Ames Lab, Dept Energy, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Porter, MD (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Dept Energy, Ames, IA 50011 USA. EM mporter@porter1.ameslab.gov NR 38 TC 53 Z9 54 U1 4 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD APR 15 PY 2004 VL 508 IS 1 BP 53 EP 59 DI 10.1016/j.aca.2003.11.044 PG 7 WC Chemistry, Analytical SC Chemistry GA 804PS UT WOS:000220311200008 ER PT J AU Song, S Singh, AK Shepodd, TJ Kirby, BJ AF Song, S Singh, AK Shepodd, TJ Kirby, BJ TI Microchip dialysis of proteins using in situ photopatterned nanoporous polymer membranes SO ANALYTICAL CHEMISTRY LA English DT Article ID IONIZATION MASS-SPECTROMETRY; TOTAL ANALYSIS SYSTEMS; LIQUID-CHROMATOGRAPHY; ONLINE MICRODIALYSIS; VIVO MICRODIALYSIS; SAMPLE CLEANUP; RAT-BRAIN; DEVICE; ELECTROPHORESIS; OPERATIONS AB Chip-level integration of microdialysis membranes is described using a novel method for in situ photopatterning of porous polymer features. Rapid and inexpensive fabrication of nanoporous microdialysis membranes in microchips is achieved using a phase separation polymerization technique with a shaped UV laser beam. By controlling the phase separation process, the molecular weight cutoffs of the membranes can be engineered for different applications. Counterflow dialysis is used to demonstrate extraction of low molecular weight analytes from a sample stream, using two different molecular weight cutoff (MWCO) membranes; the first one with MWCO below 5700 for desalting protein samples, and the second one with a higher MWCO for size-based fractionation of proteins. Modeling based on a simple control volume analysis on the microdialysis system is consistent with measured concentration profiles, indicating both that membrane properties are uniform, well-defined, and reproducible and that diffusion of subcutoff analytes through the membrane is rapid. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Kirby, BJ (reprint author), Sandia Natl Labs, POB 969,MS 9951, Livermore, CA 94551 USA. EM bjkirby@sandia.gov NR 22 TC 82 Z9 82 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD APR 15 PY 2004 VL 76 IS 8 BP 2367 EP 2373 DI 10.1021/ac035290r PG 7 WC Chemistry, Analytical SC Chemistry GA 816FW UT WOS:000221096800027 PM 15080749 ER PT J AU Goldstein, R Volkow, N Chang, L Tomasi, D Caparelli, E Telang, F Squires, N Ernst, T AF Goldstein, R Volkow, N Chang, L Tomasi, D Caparelli, E Telang, F Squires, N Ernst, T TI Human neuroimaging of stress and drug relapse SO BIOLOGICAL PSYCHIATRY LA English DT Meeting Abstract CT 59th Annual Meeting of the Society-of-Biological-Psychiatry CY APR 29-MAY 01, 2004 CL NEW YORK, NY SP Soc Biol Psychiat C1 Brookhaven Natl Lab, Upton, NY 11973 USA. NIDA, Washington, NY USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. RI Tomasi, Dardo/J-2127-2015 NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0006-3223 J9 BIOL PSYCHIAT JI Biol. Psychiatry PD APR 15 PY 2004 VL 55 SU 8 MA 691 BP 193S EP 193S PG 1 WC Neurosciences; Psychiatry SC Neurosciences & Neurology; Psychiatry GA 811EN UT WOS:000220755300676 ER PT J AU Culha, M Stokes, DL Griffin, GD Vo-Dinh, T AF Culha, M Stokes, DL Griffin, GD Vo-Dinh, T TI Application of a miniature biochip using the molecular beacon probe in breast cancer gene BRCA1 detection SO BIOSENSORS & BIOELECTRONICS LA English DT Article DE biochip; molecular beacon; BRCA1; detection; fluorescence ID HYBRIDIZATION; SYSTEM AB We report for the first time the application of a biochip using the molecular beacon (MB) detection scheme. The usability of this biochip novel detection system for the analysis of the breast cancer gene BRCA1 is demonstrated using molecular beacon probes. The MB is designed for the BRCA1 gene and a miniature biochip system is used for detection. The performance of the biochip-MB detection system is evaluated. The optimum conditions for the MB system for highest fluorescence detection sensitivity are investigated for the detection system. The detection of BRCA1 gene is Successfully demonstrated in solution and the limit of detection (LOD) is estimated as 70 nM. (C) 2003 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Life Sci, Adv Biomed Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, Div Life Sci, Adv Biomed Sci & Technol Grp, POB 2008,Bethel Valley Rd,MS 6101, Oak Ridge, TN 37831 USA. EM vodinht@ornl.gov NR 15 TC 40 Z9 40 U1 3 U2 11 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0956-5663 J9 BIOSENS BIOELECTRON JI Biosens. Bioelectron. PD APR 15 PY 2004 VL 19 IS 9 BP 1007 EP 1012 DI 10.1016/j.bios.2003.09.006 PG 6 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 804CF UT WOS:000220276100007 PM 15018955 ER PT J AU Micic, M Hu, DH Suh, YD Newton, G Romine, M Lu, HP AF Micic, M Hu, DH Suh, YD Newton, G Romine, M Lu, HP TI Correlated atomic force microscopy and fluorescence lifetime imaging of live bacterial cells SO COLLOIDS AND SURFACES B-BIOINTERFACES LA English DT Article DE atomic force microscopy (AFM); fluorescence lifetime imaging microscopy (FLIM); confocal microscopy; cell wall; bacteria; flagella; Shewanella oneidensis ID SCANNING OPTICAL MICROSCOPY; STOKES-RAMAN SCATTERING; SURFACE; LOCALIZATION; SPECTROSCOPY; RESOLUTION; REDUCTION; ADHESION; PROTEIN; GROWTH AB We report on imaging living bacterial cells by using a correlated tapping-mode atomic force microscopy (AFM) and confocal fluorescence lifetime imaging microscopy (FLIM). For optimal imaging of Gram-negative Shewanella oneidensis MR-1 cells, we explored different methods of bacterial sample preparation, Such as spreading the cells on poly-L-lysine coated surfaces or agarose gel coated Surfaces. We have found that the agarose gel containing 99% ammonium acetate buffer can provide sufficient local aqueous environment for single bacterial cells. Furthermore, the cell surface topography can be characterized by tapping-mode in-air AFM imaging for the single bacterial cells that are partially embedded. Using in-air rather than under-water AFM imaging of the living cells significantly enhanced the contrast and signal-to-noise ratio of the AFM images. Near-field AFM-tip-enhanced fluorescence lifetime imaging (AFM-FLIM) holds high promise on obtaining, fluorescence images beyond optical diffraction limited spatial resolution. We have previously demonstrated near-field AFM-FLIM imaging of polymer beads beyond diffraction limited spatial resolution. Here, as the first step of applying AFM-FLIM on imaging bacterial living cells, we demonstrated a correlated and consecutive AFM topographic imaging, fluorescence intensity imaging, and FLIM imaging of living bacterial cells to characterize cell polarity. (C) 2004 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. RP Lu, HP (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, MSIN K8-88,POB 999, Richland, WA 99352 USA. EM peter.lu@pnl.gov RI Hu, Dehong/B-4650-2010; OI Hu, Dehong/0000-0002-3974-2963; Romine, Margaret/0000-0002-0968-7641 NR 38 TC 27 Z9 29 U1 3 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-7765 J9 COLLOID SURFACE B JI Colloid Surf. B-Biointerfaces PD APR 15 PY 2004 VL 34 IS 4 BP 205 EP 212 DI 10.1016/j.colsurfb.2003.10.020 PG 8 WC Biophysics; Chemistry, Physical; Materials Science, Biomaterials SC Biophysics; Chemistry; Materials Science GA 813VG UT WOS:000220934000001 PM 15261059 ER PT J AU Dobaczewski, J Olbratowski, P AF Dobaczewski, J Olbratowski, P TI Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (IV) HFODD (v2.08i): a new version of the program SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article ID NUCLEI AB We describe the new version (v2.08i) of the code HFODD which solves the nuclear Skyrme-Hartree-Fock or SkyrmeHartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, all symmetries can be broken, which allows for calculations with angular frequency and angular momentum tilted with respect to the mass distribution. The new version contains an interface to the LAPACK subroutine ZHPEVX. C1 Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. Univ Strasbourg, CNRS, IN2P3, Inst Rech Subatom, F-67037 Strasbourg 2, France. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Dobaczewski, J (reprint author), Univ Warsaw, Inst Theoret Phys, Hoza 69, PL-00681 Warsaw, Poland. EM jacek.dobaczewski@fuw.edu.pl; przemyslaw.olbratowski@fuw.edu.pl NR 20 TC 67 Z9 67 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD APR 15 PY 2004 VL 158 IS 3 BP 158 EP 191 DI 10.1016/j.cpc.2004.02.003 PG 34 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 813TX UT WOS:000220930500003 ER PT J AU Song, SW Richardson, TJ Zhuang, GV Devine, TM Evans, JW AF Song, SW Richardson, TJ Zhuang, GV Devine, TM Evans, JW TI Effect on aluminum corrosion of LiBF4 addition into lithium imide electrolyte; a study using the EQCM SO ELECTROCHIMICA ACTA LA English DT Article DE corrosion; aluminum; EQCM; imide electrolyte; passive layer; rechargeable lithium batteries ID QUARTZ-CRYSTAL MICROBALANCE; LI-ION BATTERY; NONAQUEOUS ELECTROLYTES; DISSOLUTION PROCESSES; PROPYLENE CARBONATE; CURRENT COLLECTORS; BEHAVIOR; SALTS; INTERCALATION; DEPOSITION AB A study of the corrosion of Al, used as a current collector for the cathode of rechargeable lithium batteries, has been carried out using the electrochemical quartz crystal microbalance (EQCM). An aluminum film was highly corroded in 1 M LiTFSI (lithium trifluorosulfonimide (LiTFSI), LiN(SO2CF3)(2))/EC + DMC electrolyte at 2-5 V versus Li/Li+ with the formation of large pits, while the corrosion was clearly suppressed by adding LiBF4 salt into the imide electrolyte. Depression of corrosion on adding LiBF4 was attributed to the formation of a stable passive layer on the surface of aluminum due to the reaction of aluminum with electrolyte and the decomposition of electrolyte solvent at high potentials. The resulting data may help clarify the corrosion mechanism of aluminum metal in imide electrolyte and give insight into enhancing the performance of lithium ion batteries. (C) 2003 Elsevier Ltd. All rights reserved. C1 Environm Energy Technol Div, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Devine, TM (reprint author), Environm Energy Technol Div, Berkeley, CA 94720 USA. EM devine@socrates.berkeley.edu; evans@socrates.berkeley.edu NR 29 TC 41 Z9 41 U1 2 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD APR 15 PY 2004 VL 49 IS 9-10 BP 1483 EP 1490 DI 10.1016/j.electacta.2003.10.034 PG 8 WC Electrochemistry SC Electrochemistry GA 778EK UT WOS:000189226300014 ER PT J AU Brenner, RC Magar, VS Ickes, JA Foote, EA Abbott, JE Bingler, LS Crecelius, EA AF Brenner, RC Magar, VS Ickes, JA Foote, EA Abbott, JE Bingler, LS Crecelius, EA TI Long-term recovery of PCB-contaminated surface sediments at the Sangamo-Weston/Twelvemile Creek/Lake Hartwell superfund site SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID PUGET SOUND AB Natural recovery of contaminated sediments relies on burial of contaminated sediments with increasingly clean sediments over time (i.e., natural capping). Natural capping reduces the risk of resuspension of contaminated surface sediments, and it reduces the potential for contaminant transport into the food chain by limiting bioturbation of contaminated surface or near-surface sediments. This study evaluated the natural recovery of surface sediments contaminated with polychlorinated biphenyls (PCBs) at the Sangamo-Weston/Twelvemile Creek/Lake Hartwell Superfund Site (Lake Hartwell), Pickens County, SC. The primary focus was on sediment recovery resulting from natural capping processes. Total PCB (t-PCB), lead-210 (Pb-210), and cesium-137 (Cs-137) sediment core profiles were used to establish vertical t-PCB concentration profiles, age date sediments, and determine surface sedimentation and surface sediment recovery rates in 18 cores collected along 10 transects. Four upgradient transects in the headwaters of Lake Hartwell were impacted by historical sediment releases from three upgradient sediment impoundments. These transects were characterized by silt/clay and sand layering. The highest PCB concentrations were associated with silt/clay layers (1.8-3.5% total organic carbon (TOC), while sand layers 0.05-0.32% TOC) contained much lower PCB concentrations. The historical sediment releases resulted in substantial burial of PCB contaminated sediment in the vicinity of these four cores; each core contained less than 1 mg/kg t-PCBs in the surface sand layers. Cores collected from six downgradient Lake Hartwell transects consisted primarily of silt and clay (0.91-5.1% TOC) and were less noticeably impacted by the release of sand from the impoundments. Vertical t-PCB concentration profiles in these cores began with relatively low PCB concentrations at the sediment-water interface and increased in concentration with depth until maximum PCB concentrations were measured at similar to30-60 cm below the sediment-water interface, ca. 1960-1980. Maximum t-PCB concentrations were followed by progressively decreasing concentrations with depth until the t-PCB concentrations approached the detection limit, where sediments were likely deposited before the onset of PCB use at the Sangamo-Weston plant. The sediments containing the maximum PCB concentrations are associated with the period of maximum PCB release into the watershed. Sedimentation rates averaged 2.1 +/- 1.5 g/(cm(2) yr) for 12 of 18 cores collected. The 1994 Record of Decision cleanup requirement is 1.0 mg/kg; two more goals(0.4 and 0.05 mg/kgt-PCBs) also were identified. Average surface sedimentation requirements to meet the three goals were 1.4 +/- 3.7, 11 +/- 4.2, and 33 11 cm, respectively. Using the age dating results, the average recovery dates to meet these goals were 2000.6 +/- 2.7, 2007.4 +/- 3.5, and 2022.7 +/- 11 yr, respectively. (The 95% prediction limits for these values also are provided.) Despite the reduction in surface sediment PCB concentrations, PCB concentrations measured in largemouth bass and hybrid bass filets continue to exceed the 2.0 mg/kg FDA fish tolerance level. C1 Battelle Mem Inst, Columbus, OH 43201 USA. US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. Battelle Marine Sci Lab, Sequim, WA 98382 USA. RP Magar, VS (reprint author), Battelle Mem Inst, 505 King Ave, Columbus, OH 43201 USA. EM magarv@battelle.org NR 21 TC 26 Z9 29 U1 3 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2004 VL 38 IS 8 BP 2328 EP 2337 DI 10.1021/es030650d PG 10 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 812RU UT WOS:000220857400010 PM 15116837 ER PT J AU Bench, G Herckes, P AF Bench, G Herckes, P TI Measurement of contemporary and fossil carbon contents of PM2.5 aerosols: Results from Turtleback Dome, Yosemite National Park SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID C-14 AB The impact of aerosol particulate matter of mean mass aerodynamic diameter less than or equal to2.5 mum (PM2.5 aerosols) on health, visibility, and compliance with the U.S. EPA's regional haze regulations is a growing concern. Techniques that can help better characterize particulate matter are required to better understand the constituents, causes, and sources of PM2.5 aerosols. Measurement of the C-14/C ratio of the PM2.5 aerosols, the absence of C-14 in fossil carbon materials, and the known C-14/C levels in contemporary carbon materials allow the use of a two-component model to derive contemporary and fossil carbon contents of the particulate matter. Such data can be used to estimate the relative contributions of fossil fuels and biogenic aerosols to the total aerosol loading. Here, the methodology for performing such an assessment using total suspended particulate hi-vol aerosol samplers to collect PM2.5 aerosols on quartz fiber filters and the technique of accelerator mass spectrometry to measure C-14/C ratios is presented and illustrated using PM2.5 aerosols collected at Yosemite National Park. C1 Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. RP Bench, G (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, L-397, Livermore, CA 94551 USA. EM bench1@llnl.gov RI Herckes, Pierre/E-6824-2011 OI Herckes, Pierre/0000-0002-0205-3187 NR 15 TC 40 Z9 41 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2004 VL 38 IS 8 BP 2424 EP 2427 DI 10.1021/es035161s PG 4 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 812RU UT WOS:000220857400022 PM 15116849 ER PT J AU Tsouris, C Brewer, P Peltzer, E Walz, P Riestenberg, D Liang, LY West, OR AF Tsouris, C Brewer, P Peltzer, E Walz, P Riestenberg, D Liang, LY West, OR TI Hydrate composite particles for ocean carbon sequestration: Field verification SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CO2 HYDRATE; DEEP-SEA; DISPOSAL; WATER; STABILITY; RELEASE; GAS AB This paper reports on the formation and dissolution of CO2/seawater/ CO2 hydrate composite particles produced during field experiments in Monterey Bay, CA using a CO2 injector system previously developed in the laboratory. The injector consisted of a coflow reactor wherein water was introduced as a jet into liquid CO2, causing vigorous mixing of the two immiscible fluids to promote the formation Of CO2 hydrate that is stable at ambient pressures and temperatures typical of ocean depths greater than similar to500 in. Using flow rate ratios of water and CO2 Of 1:1 and 5:1, particulate Composites Of CO2 hydrate/liquid CO2/ seawater phases were produced in seawater at depths between 1100 and 1300 m. The resultant composite particles were tracked by a remotely operated vehicle system as they freely traveled in an imaging box that had no bottom or top walls, Results from the field experiments were consistent with laboratory experiments, which were conducted in a 70 L high-pressure vessel to simulate the conditions in the ocean at intermediate depths. The particle velocity and volume histories were monitored and used to calculate the conversion Of CO2 into hydrate and its subsequent dissolution rate after release into the ocean. The dissolution rate of the composite particles was found to be higher than that reported for pure CO2 droplets. However, when the rate was corrected to correspond to pure CO2, the difference was very small. Results indicate that a higher conversion of liquid CO2 to CO2 hydrate is needed to form negatively buoyant particles in seawater when compared to freshwater, due primarily to the increased density of the liquid phase but also due to processes involving brine rejection during hydrate formation. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. RP Tsouris, C (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM tsourisc@ornl.gov; brpe@mbari.org RI Liang, Liyuan/O-7213-2014; Tsouris, Costas/C-2544-2016; OI Liang, Liyuan/0000-0003-1338-0324; Tsouris, Costas/0000-0002-0522-1027; Peltzer, Edward/0000-0003-2821-3553 NR 26 TC 25 Z9 25 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2004 VL 38 IS 8 BP 2470 EP 2475 DI 10.1021/es034990a PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 812RU UT WOS:000220857400028 PM 15116855 ER PT J AU Wang, GJ Gentry, TJ Grass, G Josephson, K Rensing, C Pepper, IL AF Wang, GJ Gentry, TJ Grass, G Josephson, K Rensing, C Pepper, IL TI Real-time PCR quantification of a green fluorescent protein-labeled, genetically engineered Pseudomonas putida strain during 2-chlorobenzoate degradation in soil SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE bioaugmentation; cbdA; chlorobenzoate; GFP; plasmid; real-time PCR ID ENVIRONMENTAL-SAMPLES; PLASMID; ENUMERATION; BACTERIA; GENES; EXPRESSION; CARBAZOLE; CULTURES; DNA AB The potential for real-time PCR (RTm-PCR) detection of the genetically engineered strain Pseudomonas putida GN2 was studied during 2-chlorobenzoate (2-CB) degradation in three different soils. The strain contained the constructed plasmid pGN2 which encoded genes for 2-CB oxidation (cbdA) and the green fluorescent protein (gfp). P. putida GN2 numbers were assessed by plating onto 2-CB minimal media and also by RTm-PCR detection of cbdA and gfp. Addition of P. putida GN2 decreased the time required to degrade 2-CB in all tested soils by more than 7 days. The RTm-PCR estimations of P. putida GN2 numbers strongly correlated with those obtained from plate count methods during active 2-CB degradation. However, after 2-CB degradation in the soils had ceased, RTm-PCR estimations of cbdA and gfp genes were generally one order of magnitude lower than those from plate counts. These results indicate the potential for RTm-PCR to rapidly determine degrader numbers in soil following bioaugmentation but also the need to exercise caution when attempting to determine cell numbers of degraders from the RTm-PCR quantification of plasmid encoded genes after substrate is depleted. (C) 2004 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved. C1 Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. RP Gentry, TJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,Bldg 1505,MS-6038, Oak Ridge, TN 37831 USA. EM gentrytj@ornl.gov RI Grass, Gregor/A-9981-2009; Rensing, Christopher/D-3947-2011 OI Grass, Gregor/0000-0002-8002-7718; Rensing, Christopher/0000-0002-5012-7953 FU NIEHS NIH HHS [5 P42 ES04940-09] NR 30 TC 21 Z9 22 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1097 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD APR 15 PY 2004 VL 233 IS 2 BP 307 EP 314 DI 10.1016/j.femsle.2004.02.025 PG 8 WC Microbiology SC Microbiology GA 812BQ UT WOS:000220815400018 PM 15063501 ER PT J AU Newman, BD Wilcox, BP Graham, RC AF Newman, BD Wilcox, BP Graham, RC TI Snowmelt-driven macropore flow and soil saturation in a semiarid forest SO HYDROLOGICAL PROCESSES LA English DT Article ID PONDEROSA PINE HILLSLOPE; SUBSURFACE FLOW; SOLUTE TRANSPORT; NEW-MEXICO; WATER; RUNOFF; DYNAMICS; OLD AB Lateral subsurface flow is generally assumed to occur as a result of the development of a saturated zone above a low-permeability interface such as at the soil-bedrock contact, and it is often augmented by macropore flow. Our objective was to evaluate the development of lateral subsurface flow and soil saturation at a semiarid ponderosa pine forest in New Mexico with respect to the conceptual model of saturation building above the soil-bedrock contact. At this site, we have long-term observations of the water budget components, including lateral flow. A 1.5 m deep by 7 m long trench was constructed to observe lateral subsurface flow and development of saturation directly. Our observations are based on flow resulting from a melting snowdrift. The edge of the drift was about 7 m upslope from the trench. Lateral subsurface flow only occurred from root macropores in the Bt soil horizon. Saturation developed and grew outward from flowing root macropores, rather than growing upward from the soil-bedrock interface. This macropore-centred saturation resulted in a highly heterogeneous distribution of water content until enough macropores began flowing and individual macropore saturated zones grew large enough to coalesce and saturate large volumes of the soil. Our observations are based on one snowmelt event and a relatively short hillslope flow path, and thus do not represent a full range of hydrologic conditions. Nevertheless, the observed behaviour did not conform to the traditional model of soil-bedrock control of saturation and lateral flow. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. Texas A&M Univ, College Stn, TX 77843 USA. Univ Calif Riverside, Dept Environm Sci, Soil & Water Sci Program, Riverside, CA 92521 USA. RP Newman, BD (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, POB 1663, Los Alamos, NM 87545 USA. EM bnewman@lanl.gov NR 22 TC 24 Z9 25 U1 1 U2 5 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0885-6087 J9 HYDROL PROCESS JI Hydrol. Process. PD APR 15 PY 2004 VL 18 IS 5 BP 1035 EP 1042 DI 10.1002/hyp.5521 PG 8 WC Water Resources SC Water Resources GA 806TW UT WOS:000220457200012 ER PT J AU Hache, JJ Futrell, JH Laskin, J AF Hache, JJ Futrell, JH Laskin, J TI Relative proton affinities from kinetic energy release distributions for dissociation of proton-bound dimers 2. Diamines as a test case SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE kinetic energy release distribution (KERD); dynamics approach; proton-bound dimer; dissociation; diamine; kinetic method; relative energies; reaction entropy ID UNIMOLECULAR REACTION DYNAMICS; C-H; ANGULAR-MOMENTUM; THERMAL KINETICS; BOND ACTIVATION; INTERNAL ENERGY; MAGIC NUMBERS; ION CLUSTERS; GAS-PHASE; FRAGMENTATION AB Dissociation of proton-bound dinners containing diamines is often characterized by a substantial entropy difference between the two competing reaction channels. Kinetic energy release distributions (KERDs) upon dissociation of diamine-containing dimers are utilized along with Finite Heat Bath theory analysis to obtain relative proton affinities of monomeric species composing the dimer. When dissociation of a proton-bound dimer is not associated with reverse activation barrier our method provides reliable relative energetics and dynamics. Results are reported for 1.3-propanediamine-diisopropylamine, and 1,4-butanediamine-triethylamine dimers, for which the dynamics approach provided accurate values of relative proton affinities and relative reaction entropies. We also show two examples, for which a substantial reverse activation barrier is found using KER measurements. These examples point to potential problems with utilizing aromatic reference bases in combination with bidentate molecules for thermochemical determinations using the kinetic method. (C) 2004 Elsevier B.V. All rights reserved. C1 Fundamental Sci Directorate, Pacific NW Natl Lab, Richland, WA 99352 USA. RP Laskin, J (reprint author), Fundamental Sci Directorate, Pacific NW Natl Lab, POB 999,K8-88, Richland, WA 99352 USA. EM Julia.Laskin@pnl.gov RI Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 54 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD APR 15 PY 2004 VL 233 IS 1-3 BP 223 EP 231 DI 10.1016/j.ijms.2003.12.022 PG 9 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 819LR UT WOS:000221316900032 ER PT J AU Takamura, Y Marshall, AF Mehta, A Arthur, J Griffin, PB Plummer, JD Patel, JR AF Takamura, Y Marshall, AF Mehta, A Arthur, J Griffin, PB Plummer, JD Patel, JR TI Diffuse x-ray scattering and transmission electron microscopy study of defects in antimony-implanted silicon SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BORON-ENHANCED DIFFUSION; LASER ANNEALED SILICON; PHYSICAL-MECHANISMS; SI; CLUSTERS; DIFFRACTION; DEACTIVATION; DOPANTS; DONORS; SCALE AB Ion implantation followed by laser annealing has been used to create supersaturated and electrically active concentrations of antimony in silicon. Upon subsequent thermal annealing, however, these metastable dopants deactivate towards the equilibrium solubility limit. In this work, the formation of inactive antimony structures has been studied with grazing incidence diffuse x-ray scattering, and transmission electron microscopy, and the results are correlated to previous high-resolution x-ray diffraction data. We find that at a concentration of 6.0x10(20) cm(-3), small, incoherent clusters of radius 3-4 A form during annealing at 900 degreesC. At a higher concentration of 2.2x10(21) cm(-3), deactivation at 600 degreesC occurs through the formation of small, antimony aggregates and antimony precipitates. The size of these precipitates from diffuse x-ray scattering is roughly 15 Angstrom in radius for anneal times from 15 to 180 seconds. This value is consistent with the features observed in high-resolution and mass contrast transmission electron microscopy images. The coherent nature of the aggregates and precipitates causes the expansion of the surrounding silicon matrix as the deactivation progresses. In addition, the sensitivity of the diffuse x-ray scattering technique has allowed us to detect the presence of small clusters of radius similar to2 Angstrom in unprocessed Czochralski silicon wafers. These defects are not observed in floating zone silicon wafers, and are tentatively attributed to thermal donors. (C) 2004 American Institute of Physics. C1 Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Stanford Univ, Adv Mat Lab, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, SSRL, Stanford, CA 94309 USA. Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. ALS LBL, Berkeley, CA 94720 USA. RP Takamura, Y (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. NR 32 TC 5 Z9 6 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2004 VL 95 IS 8 BP 3968 EP 3976 DI 10.1063/1.1666975 PG 9 WC Physics, Applied SC Physics GA 808RL UT WOS:000220586100014 ER PT J AU Zhang, Y Weber, WJ Jiang, W Wang, CM Shutthanandan, V Hallen, A AF Zhang, Y Weber, WJ Jiang, W Wang, CM Shutthanandan, V Hallen, A TI Effects of implantation temperature on damage accumulation in Al-implanted 4H-SiC SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID IRRADIATION-INDUCED AMORPHIZATION; SILICON-CARBIDE; ELECTRICAL-PROPERTIES; MATERIAL DEFECTS; JUNCTION DIODES; RECOVERY; SUBLATTICES; BREAKDOWN; CERAMICS; CARBON AB Damage accumulation in 4H-SiC under 1.1 MeV Al-2(2+) irradiation is investigated as a function of dose at temperatures from 150 to 450 K. Based on Rutherford backscattering spectroscopy and nuclear reaction analysis channeling spectra, the damage accumulation on both the Si and C sublattices have been determined, and a disorder accumulation model has been fit to the data. The model fits indicate that defect-stimulated amorphization is the primary amorphization mechanism in SiC over the temperature range investigated. The temperature dependence of the cross section for defect-stimulated amorphization and the critical dose for amorphization indicate that two different dynamic recovery processes are present, which are attributed to short-range recombination and long-range migration of point defects below and above room temperature, respectively. As the irradiation temperature approaches the critical temperature for amorphization, cluster formation has an increasing effect on disorder accumulation, and ion flux plays an important role on the nature and evolution of disorder. Dislocation loops, which are mostly formed under high ion flux, act as sinks for point defects, thereby reducing the disorder accumulation rate. (C) 2004 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Royal Inst Technol, Dept Microelect & IT, SE-16440 Stockholm, Sweden. RP Zhang, Y (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM yanwen.zhang@pnl.gov RI Weber, William/A-4177-2008; OI Weber, William/0000-0002-9017-7365; Jiang, Weilin/0000-0001-8302-8313 NR 36 TC 50 Z9 51 U1 3 U2 26 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2004 VL 95 IS 8 BP 4012 EP 4018 DI 10.1063/1.1666974 PG 7 WC Physics, Applied SC Physics GA 808RL UT WOS:000220586100021 ER PT J AU Vogler, TJ Reinhart, WD Chhabildas, LC AF Vogler, TJ Reinhart, WD Chhabildas, LC TI Dynamic behavior of boron carbide SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SHOCK COMPRESSION; ALUMINUM; RESHOCK; SURFACE; COPPER; B4C AB Boron carbide displays a rich response to dynamic compression that is not well understood. To address poorly understood aspects of behavior, including dynamic strength and the possibility of phase transformations, a series of plate impact experiments was performed that also included reshock and release configurations. Hugoniot data were obtained from the elastic limit (15-18 GPa) to 70 GPa and were found to agree reasonably well with the somewhat limited data in the literature. Using the Hugoniot data, as well as the reshock and release data, the possibility of the existence of one or more phase transitions was examined. There is tantalizing evidence, but at this time no phase transition can be conclusively demonstrated. However, the experimental data are consistent with a phase transition at a shock stress of about 40 GPa, though the volume change associated with it would have to be small. The reshock and release experiments also provide estimates of the shear stress and strength in the shocked state as well as a dynamic mean stress curve for the material. The material supports only a small shear stress in the shocked (Hugoniot) state, but it can support a much larger shear stress when loaded or unloaded from the shocked state. This strength in the shocked state is initially lower than the strength at the elastic limit but increases with pressure to about the same level. Also, the dynamic mean-stress curve estimated from reshock and release differs significantly from the hydrostate constructed from low-pressure data. Finally, a spatially resolved interferometer was used to directly measure spatial variations in particle velocity during the shock event. These spatially resolved measurements are consistent with previous work and suggest a nonuniform failure mode occurring in the material. (C) 2004 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800,MS 1181, Albuquerque, NM 87185 USA. EM tjvogle@sandia.gov RI Vogler, Tracy/B-4489-2009 NR 44 TC 81 Z9 83 U1 5 U2 31 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2004 VL 95 IS 8 BP 4173 EP 4183 DI 10.1063/1.1686902 PG 11 WC Physics, Applied SC Physics GA 808RL UT WOS:000220586100044 ER PT J AU Hurricane, OA AF Hurricane, OA TI Optimized minimal inductance transmission line configuration for Z-pinch experiments SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ISENTROPIC COMPRESSION; DRIVEN HOHLRAUM AB Successful dynamic Z-pinch experiments generally require good current delivery to the target load. Power flow losses through highly inductive transmission line configurations reduce the current available to the load. In this brief article, a variational calculus technique is used to determine the transmission line configuration that produces the least possible inductance and therefore the best possible current delivery for Z-pinch experiments. (C) 2004 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hurricane, OA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM hurricane1@llnl.gov NR 10 TC 4 Z9 4 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2004 VL 95 IS 8 BP 4503 EP 4505 DI 10.1063/1.1687986 PG 3 WC Physics, Applied SC Physics GA 808RL UT WOS:000220586100096 ER PT J AU Rosso, KM Dupuis, M AF Rosso, KM Dupuis, M TI Reorganization energy associated with small polaron mobility in iron oxide SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL METHODS; VALENCE BASIS-SETS; ELECTRON-TRANSFER; AB-INITIO; OXIDATION; REDUCTION; ELEMENTS AB The reorganization energy is an important quantity controlling electron transfer rates. The internal contribution arising from the energy to reorganize donor/acceptor bonds can be evaluated by the "direct" and "4-point" methods. We examine how spatial separation leading to the noninteracting character of the donor and acceptor affects the reorganization energy. We show that the direct method captures contributions from interaction of the donor and acceptor while the 4-point method does not, and the two methods converge at large separation. Comparing reorganization energies determined by the two methods yields a measure of the degree of interaction between the initial and final states. The analysis is illustrated in the characterization of small polarons in iron oxides. (C) 2004 American Institute of Physics. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Dupuis, M (reprint author), Pacific NW Natl Lab, Div Chem Sci, K8-96, Richland, WA 99352 USA. EM michel.dupuis@pnl.gov NR 23 TC 34 Z9 34 U1 2 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 15 PY 2004 VL 120 IS 15 BP 7050 EP 7054 DI 10.1063/1.1676117 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 808RD UT WOS:000220585300029 PM 15267606 ER PT J AU Gee, RH Roszak, S Balasubramanian, K Fried, LE AF Gee, RH Roszak, S Balasubramanian, K Fried, LE TI Ab initio based force field and molecular dynamics simulations of crystalline TATB SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID INTERMOLECULAR POTENTIALS; 2ND-HARMONIC GENERATION; 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TATB; ELECTRON-DIFFRACTION; QUANTUM-CHEMISTRY; INTERNAL-ROTATION; WAVE-FUNCTIONS; DERIVATION; MECHANICS; CLUSTERS AB An all-atom force field for 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is presented. The classical intermolecular interaction potential for TATB is based on single-point energies determined from high-level ab initio calculations of TATB dimers. The newly developed potential function is used to examine bulk crystalline TATB via molecular dynamics simulations. The isobaric thermal expansion and isothermal compression under hydrostatic pressures obtained from the molecular dynamics simulations are in good agreement with experiment. The calculated volume-temperature expansion is almost one dimensional along the c crystallographic axis, whereas under compression, all three unit cell axes participate, albeit unequally. (C) 2004 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Wroclaw Univ Technol, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland. Univ Calif Davis, Dept Appl Sci, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Gee, RH (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. EM gee10@llnl.gov RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 50 TC 74 Z9 77 U1 2 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 15 PY 2004 VL 120 IS 15 BP 7059 EP 7066 DI 10.1063/1.1676120 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 808RD UT WOS:000220585300031 PM 15267608 ER PT J AU Ji, N Shen, YR AF Ji, N Shen, YR TI Sum frequency vibrational spectroscopy of leucine molecules adsorbed at air-water interface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NORMAL-ALKYL CHAINS; H STRETCHING MODES; ADSORPTION BEHAVIOR; SURFACTANTS; GENERATION; MONOLAYERS; ORIENTATION; SPECTRA; METHYL; LONG AB Sum frequency vibrational spectroscopy was used to study adsorption of leucine molecules at air-water interface from solutions with different concentrations and pH values. The surface density and the orientation of the isopropyl head group of the adsorbed leucine molecules could be deduced from the measurements. It was found that the orientation depends on the surface density, but only weakly on bulk pH value at the saturated surface density. The vibrational spectra of the interfacial water molecules appeared to be strongly affected by the charge state of the adsorbed leucine molecules. Enhancement and inversion of polar orientation of interfacial water molecules by surface charges or field controllable by the bulk pH value were observed. (C) 2004 American Institute of Physics. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ji, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM shenyr@socrates.berkeley.edu NR 24 TC 38 Z9 38 U1 3 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 15 PY 2004 VL 120 IS 15 BP 7107 EP 7112 DI 10.1063/1.1669375 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 808RD UT WOS:000220585300037 PM 15267614 ER PT J AU Palmblad, M Ramstrom, M Bailey, CG McCutchen-Maloney, SL Bergquist, J Zeller, LC AF Palmblad, M Ramstrom, M Bailey, CG McCutchen-Maloney, SL Bergquist, J Zeller, LC TI Protein identification by liquid chromatography-mass spectrometry using retention time prediction SO JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES LA English DT Article DE protein identification; retention time prediction ID CAPILLARY-ZONE-ELECTROPHORESIS; PEPTIDE RETENTION; PERFORMANCE; HYDROPHOBICITY; INTERFACE; SEPARATIONS; PROTEOMES; BEHAVIOR; ACCURACY; MIXTURES AB Liquid chromatography has been coupled with mass spectrometry to improve the dynamic range and to reduce the complexity of sample introduced to the mass spectrometer at any given time. The chromatographic separation also provides information on the analytes, such as peptides in enzymatic digests of proteins; information that can be used when identifying the proteins by peptide mass fingerprinting. This paper discusses a recently introduced method based on retention time prediction to extract information from chromatographic separations and the applications of this method to protein identification in organisms with small and large genomes. (C) 2003 Elsevier B.V. All rights reserved. C1 Uppsala Univ, Angstrom Lab, Div Ion Phys, SE-75121 Uppsala, Sweden. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Univ Uppsala, Inst Chem, Dept Analyt Chem, SE-75124 Uppsala, Sweden. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94551 USA. RP Palmblad, M (reprint author), Uppsala Univ, Angstrom Lab, Div Ion Phys, Box 534, SE-75121 Uppsala, Sweden. EM palmblad1@llnl.gov RI Bergquist, Jonas/C-5894-2015; Palmblad, Magnus/B-8649-2016; OI Palmblad, Magnus/0000-0002-5865-8994; Ramstrom, Margareta/0000-0003-1471-7291; Bergquist, Jonas/0000-0002-4597-041X NR 34 TC 34 Z9 36 U1 2 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1570-0232 J9 J CHROMATOGR B JI J. Chromatogr. B PD APR 15 PY 2004 VL 803 IS 1 BP 131 EP 135 DI 10.1016/j.jchromb.2003.11.007 PG 5 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 805CD UT WOS:000220343500014 PM 15026006 ER PT J AU Huang, WJ Jin, CY Derzon, DK Huber, TA Last, JA Provencio, PP Gopalan, AS Dugger, M Sasaki, DY AF Huang, WJ Jin, CY Derzon, DK Huber, TA Last, JA Provencio, PP Gopalan, AS Dugger, M Sasaki, DY TI Synthesis of ether-linked fluorocarbon surfactants and their aggregational properties in organic solvents SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE fluorocarbon; surfactant; self-assembly; micelle; foaming; molecular structure; light scattering; TEM ID SEMIFLUORINATED NORMAL-ALKANES; LIQUID-CRYSTALLINE PHASES; DOUBLE-CHAIN FLUOROCARBON; BILAYER-MEMBRANES; GEL PHASE; HYDROCARBON; AMPHIPHILES; BEHAVIOR; TRANSITIONS; MOLECULES AB A series of single- and double-tailed hydrocarbon-fluorocarbon (HF) surfactants were prepared to evaluate the effect of molecular structure on aggregate formation in organic solvents. The molecules were designed with ether linkages to permit facile syntheses of both sets of molecules. Solvent foaming studies were used to rapidly assess the surface-active properties of the surfactants, while dynamic light scattering provided quantitative critical micelle concentrations (CMC) and hydrodynamic radius (R-h) measurements of the aggregates in solution. The single-tailed surfactants did not produce any foaming action in a number of hydrocarbon solvents, nor was any micellar formation observed up to 100 mM concentrations. Double-tailed surfactants, on the other hand, gave low CMC values in dodecane but with R-h values that indicated a tight micelle structure. Bilayer formation was expected but not observed for these molecules, which is believed to be due to their unusual structural geometry, imparted by the glycerol backbone. No thermotropic liquid crystalline (LC) behavior was observed for any of the single- or double-tailed molecules. These data contrast with the known behavior of perfluorinated alkanes and other fluorinated surfactants, suggesting that the ether linkage plays an important role in the self-organizing behavior of these molecules. (C) 2003 Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA. RP Sasaki, DY (reprint author), Sandia Natl Labs, MS 1413, Albuquerque, NM 87185 USA. EM dysasak@sandia.gov NR 30 TC 12 Z9 12 U1 2 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD APR 15 PY 2004 VL 272 IS 2 BP 457 EP 464 DI 10.1016/j.jcis.2003.11.038 PG 8 WC Chemistry, Physical SC Chemistry GA 807PH UT WOS:000220512900028 PM 15028511 ER PT J AU Lente, G Espenson, JH AF Lente, G Espenson, JH TI Photoreduction of 2,6-dichloroquinone in aqueous solution - Use of a diode array spectrophotometer concurrently to drive and detect a photochemical reaction SO JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY LA English DT Article DE diode-array spectrophotometer; photoreactions; quinones ID PARA-BENZOQUINONE; FERRIOXALATE ACTINOMETRY; PHOTO-REDUCTION; P-BENZOQUINONE; QUINONES; WATER; OXIDATION; MECHANISM; PHENOLS; N,N-DIETHYLHYDROXYLAMINE AB The aqueous photoreaction of 2,6-dichloro-1,4-benzoquinone produces 2,6-dichlorohydroquinone, 2,6-dichloro-3-hydroxy-1,4-benzoquinone and dioxygen. This reaction was used to demonstrate that a commercial diode-array spectrophotometer is a useful tool for the study of photochemical reactions. The white light going through the sample cell concurrently drives and detects photoreactions. It is shown how quantum yields can be determined. A method for interpreting the full time course of the photoreaction is also presented. (C) 2004 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Univ Debrecen, Dept Inorgan & Analyt Chem, Debrecen, Hungary. RP Espenson, JH (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM lenteg@delfin.klte.hu; espenson@ameslab.gov RI Lente, Gabor/H-3645-2011 NR 42 TC 37 Z9 37 U1 3 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1010-6030 J9 J PHOTOCH PHOTOBIO A JI J. Photochem. Photobiol. A-Chem. PD APR 15 PY 2004 VL 163 IS 1-2 BP 249 EP 258 DI 10.1016/j.jphotochem.2003.12.005 PG 10 WC Chemistry, Physical SC Chemistry GA 810UC UT WOS:000220728200034 ER PT J AU Wu, YD Mundy, CJ Colvin, ME Car, R AF Wu, YD Mundy, CJ Colvin, ME Car, R TI On the mechanisms of OH radical induced DNA-base damage: A comparative quantum chemical and Car-Parrinello molecular dynamics study SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DENSITY-FUNCTIONAL THEORY; CRYSTALLINE CYTOSINE MONOHYDRATE; COUPLED ELECTRON-TRANSFER; GUANINE DERIVATIVES; IONIZING-RADIATION; IRRADIATED GUANINE; AQUEOUS-SOLUTION; OXIDATION; PSEUDOPOTENTIALS; POTENTIALS AB Understanding the basic chemistry of the interaction of radicals with DNA bases is imperative when trying to predict the potential effects of radiation on DNA. Experimental evidence points to guanine as having the highest affinity of all the DNA bases for undergoing damage. However, radiation-induced damage to other bases may also have important health effects, and therefore the reactions of other DNA bases are also of interest. To this end, numerous studies have been performed on thymine to elucidate its role in the initial phases of DNA damage. To date, the theoretical studies on this topic have only dealt with reaction energetics in the gas phase or within a continuum solvent model. We present a detailed Car-Parrinello molecular dynamics study of DNA bases in explicit water interacting with an OH radical. Our findings indicate that the specific mechanisms of the initial phase of DNA damage are different in thymine and guanine, which is consistent with experiment-based conjectures on this subject. We also compare the effects of different exchange and correlation functionals on the proposed reaction energetics as well as a comparison with traditional quantum chemistry methods. Our deduced mechanisms are consistent with the experimentally observed products. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA. Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. Univ Calif, Sch Engn, Merced, CA 95344 USA. RP Mundy, CJ (reprint author), Lawrence Livermore Natl Lab, L-091, Livermore, CA 94550 USA. EM mundy2@llnl.gov NR 41 TC 36 Z9 36 U1 2 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 15 PY 2004 VL 108 IS 15 BP 2922 EP 2929 DI 10.1021/jp0363592 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810SP UT WOS:000220724300012 ER PT J AU Andrews, L Wang, XF Manceron, L Balasubramanian, K AF Andrews, L Wang, XF Manceron, L Balasubramanian, K TI The gold dihydride molecule, AuH2: Calculations of structure, stability, and frequencies, and the infrared spectrum in solid hydrogen SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POTENTIAL-ENERGY SURFACES; DFT CALCULATIONS; AB-INITIO; ELECTRONIC STATES; HYDRIDES AUH; ATOMS; CHEMISTRY; ARGON; NEON; (H-2)AUH3 AB The novel AuH2 molecule has been formed in solid hydrogen by reactions of excited gold atoms from laser ablation and irradiation after thermal evaporation. The (XB2)-B-2 ground state of the AuH2 molecule is separated by a 53 kcal/mol barrier from the Au(D-2) + H-2 decomposition products and it is 27 kcal/mol more stable than Au(D-2) + H-2. The bending modes of AuH2, AuHD, and AuD2 have been observed at 638.1, 570.6, and 457.0 cm(-1). These frequencies and the lack of infrared intensity in the stretching modes are in agreement with the results of relativistic ECP DFT, MP2, and CCD calculations. The computed bending potential energy surfaces of three electronic states of AuH2 Using CASSCF/MRSDCI methods reveal that there is a barrier for decomposition of the (XB2)-B-2 ground state to Au(S-2) + H-2. C1 Univ Virginia, Dept Chem, Charlottesville, VA 22903 USA. Univ Paris 06, CNRS, UMR 7075, LADIR Spectrochim Mol, F-75252 Paris, France. Univ Calif Davis, Dept Appl Sci, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Andrews, L (reprint author), Univ Virginia, Dept Chem, POB 400319, Charlottesville, VA 22903 USA. EM lsa@virginia.edu NR 44 TC 22 Z9 22 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 15 PY 2004 VL 108 IS 15 BP 2936 EP 2940 DI 10.1021/jp036864z PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810SP UT WOS:000220724300014 ER PT J AU Venkataraman, C Miller, WH AF Venkataraman, C Miller, WH TI The quantum instanton (QI) model for chemical reaction rates: The "simplest" QI with one dividing surface SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID TRANSITION-STATE THEORY; REACTION-RATE CONSTANTS; APPROXIMATION; FORMULATION; DYNAMICS; MATRIX AB A new version of the quantum instanton (QI) approach to thermal rate constants of chemical reactions (Miller, W. H.; Zhao, Y.; Ceotto, M.; Yang, S. J. Chem. Phys. 2003, 119, 1329) is presented, namely, the simplest QI (SQI) approximation with one dividing surface (DS), referred to here as SQI1. (The SQI approximation presented originally was applicable only with two DSs.) As with all versions of the QI approach, the rate is expressed wholly in terms of the (quantum) Boltzmann operator (which, for complex systems, can be evaluated by Monte Carlo path integral methods). Test calculations on some simple model problems show the SQI1 model to be slightly less accurate than the original version of the QI approach, but it is the easiest version to implement; it requires only a constrained free-energy calculation, location of the (transition-state) DS so as to maximize this free energy, and the curvature (second derivative) of the free energy at this maximum. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Miller, WH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM miller@cchem.berkeley.edu NR 21 TC 18 Z9 18 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 15 PY 2004 VL 108 IS 15 BP 3035 EP 3039 DI 10.1021/jp031112q PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810SP UT WOS:000220724300029 ER PT J AU Wilson, AK Dunning, TH AF Wilson, AK Dunning, TH TI The HSO-SOH isomers revisited: The effect of tight d functions SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; ATMOSPHERIC SULFUR CHEMISTRY; POLARIZATION FUNCTIONS; ATOMIZATION ENERGIES; 2ND-ROW COMPOUNDS; ATOMS ALUMINUM; AB-INITIO; CONVERGENCE; ENTHALPY AB The tight d-augmented correlation consistent basis sets, cc-pV(n+d)Z, and standard correlation consistent basis sets, cc-pVnZ, where n = D(2), (3), Q(4), and 5, for the second-row atoms have been used to reexamine the relative energy of the HSO and SOH isomers using Hartree-Fock, coupled cluster with single and double excitation, and coupled cluster with single, double, and perturbative triple excitation levels of theory. Geometries, dissociation energies, and vibrational frequencies have also been determined for each species. The relative energies of the two isomers converge more rapidly and smoothly for the new tight d-augmented sets than for the standard sets. The impact of the tight d function is most significant upon dissociation energies at the double-zeta and triple-zeta levels for HSO, with differences of 5.46 and 2.57 kcal/mol, respectively, and less significant for SOH, with differences of 1.90 and 1.20 kcal/mol. The impact of the additional d functions in the basis set upon vibrational frequencies and zero-point energies is minor. C1 Univ N Texas, Dept Chem, Denton, TX 76203 USA. Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Wilson, AK (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA. EM akwilson@unt.edu; dunning@jics.utk.edu NR 31 TC 73 Z9 73 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 15 PY 2004 VL 108 IS 15 BP 3129 EP 3133 DI 10.1021/jp037160s PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810SP UT WOS:000220724300042 ER PT J AU Liang, WZ Head-Gordon, M AF Liang, WZ Head-Gordon, M TI Approaching the basis set limit in density functional theory calculations using dual basis sets without diagonalization SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRONIC-STRUCTURE CALCULATIONS; NONORTHOGONAL BASIS; RYDBERG LEVELS; ORBITALS; ENERGIES; ENTHALPIES; GAUSSIAN-2 AB Dual basis sets are employed as an economical way to approximate self-consistent field (SCF) calculations, such as Kohn-Sham density functional theory (DFT), in large basis sets. First, an SCF calculation is performed in a small subset of the full set of basis functions. The density matrix in this small basis is used to construct the effective Hamiltonian operator in the large basis, from which a correction for basis set extension is obtained for the energy. This correction is equivalent to a single Roothaan step (diagonalization) in the large basis. We present second order nonlinear equations that permit this step to be obtained without explicit diagonalization. Numerical tests on part of the Gaussian-2 dataset, using the B3LYP density functional, show that large-basis results can be accurately approximated with this procedure, subject to some limitations on the smallness of the small basis. Computational savings are approximately an order of magnitude relative to a self-consistent DFT calculation in the large basis. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley 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 RI Liang, Wanzhen /F-6879-2010 NR 26 TC 55 Z9 55 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 15 PY 2004 VL 108 IS 15 BP 3206 EP 3210 DI 10.1021/jp0374713 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810SP UT WOS:000220724300051 ER PT J AU Ozcelik, S Demir, MM Birkan, B AF Ozcelik, S Demir, MM Birkan, B TI Probing nanoscale domains of J-aggregates deposited on a mica surface SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SCANNING OPTICAL MICROSCOPY; PSEUDOISOCYANINE DYE; CYANINE DYES; SUPERRADIANT; INTERFACE; EXCITONS; ALCOHOLS; FILM; AFM AB J-aggregates of 1, 1',3,3'-tetraethyl-5,5',6,6'-tetrachlorobenzimidazolocarbocyanine (TTBC) were deposited on a mica surface and probed by atomic force microscopy operated at tapping mode in air. Optical spectra showed that J-aggregates were formed in aqueous solutions. Atomic force microscopy images revealed that J-aggregates deposited on mica surfaces mainly present single domains with a mean height of 2.00 +/- 0.25 nm and an average diameter of 100 +/- 20 nm. Quantitative analysis of the morphology of images indicated that the single domain of J-aggregates exhibits very uniform height and diameter distributions with polydispersity indices of 1.02 and 1.04, respectively. Based on the results, we propose a two-dimensional nanostructure in which TTBC J-aggregates could be arranged in a monolayer. C1 Bilkent Univ, Dept Chem, TR-06533 Ankara, Turkey. Sabanci Univ Orhanli, Fac Engn & Nat Sci, TR-34956 Istanbul, Turkey. RP Ozcelik, S (reprint author), Pacific NW Natl Lab, Div Chem Sci, K8-88, Richland, WA 99352 USA. EM serdar.ozcelik@pnl.gov RI Ozcelik, Serdar/S-4518-2016; OI Ozcelik, Serdar/0000-0003-2029-0108; Demir, Mustafa Muammer/0000-0003-1309-3990 NR 40 TC 7 Z9 7 U1 2 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 15 PY 2004 VL 108 IS 15 BP 4679 EP 4683 DI 10.1021/jp037255u PG 5 WC Chemistry, Physical SC Chemistry GA 810ST UT WOS:000220724700019 ER PT J AU Amine, K Liu, J Kang, S Belharouak, I Hyung, Y Vissers, D Henriksen, G AF Amine, K Liu, J Kang, S Belharouak, I Hyung, Y Vissers, D Henriksen, G TI Improved lithium manganese oxide spinel/graphite Li-ion cells for high-power applications SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Conference on High Energy Density Electrochemical Power Sources CY SEP 17-20, 2003 CL Nice, FRANCE DE high-power Li-ion cell; lithium manganese oxide spinel; LiBoB; Mn dissolution; capacity fading ID CAPACITY LOSSES; BATTERIES; PERFORMANCE; DISSOLUTION; LIBOB AB The degradation mechanism of lithium manganese oxide spinel/graphite Li-ion cells using LiPF6-based electrolyte was investigated by a Mn-dissolution approach during high-temperature storage, and by ac impedance measurement using a reference electrode-equipped cell. Through these studies, we confirmed that Mn ions were dissolved from the spinel cathode in the electrolyte and were subsequently reduced on the lithiated graphite electrode surface, due to the chemical activity of the lithiated graphite, and caused a huge increase in the charge-transfer impedance at the graphite/electrolyte interface, which consequently deteriorated cell performance. To overcome the significant degradation of the spinel/graphite Li-ion cells, we investigated a new electrolyte system using lithium bisoxalatoborate (LiBoB, LiB(C2O4)(2)) salt not having fluorine species in its chemical structure. Superior cycling performance at elevated temperature was observed with the spinel/graphite cells using LiBoB-based electrolyte, which is attributed to the inert chemical structure of LiBoB that does not Generate HE Mn-ion leaching experiments showed that almost no Mn ions were dissolved from the spinel powder after 55 degreesC storage for 4 weeks. Through optimization of organic solvents for the LiBoB salt, we developed an advanced Li-ion cell chemistry that used lithium manganese oxide spinel, 0.7 M LiBoB/EC:PC:DMC (1: 1:3), and graphite as the cathode, electrolyte, and anode, respectively. This cell provides excellent power characteristics, good calendar life, and improved thermal safety for hybrid electric vehicle applications. (C) 2003 Published by Elsevier B.V. C1 Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, Argonne, IL 60439 USA. RP Amine, K (reprint author), Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rjow@arl.army.mil RI Kang, Sun-Ho/E-7570-2010; Amine, Khalil/K-9344-2013; OI Belharouak, Ilias/0000-0002-3985-0278 NR 13 TC 151 Z9 165 U1 7 U2 80 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 15 PY 2004 VL 129 IS 1 BP 14 EP 19 DI 10.1016/j.powsour.2003.11.007 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 810AB UT WOS:000220676100005 ER PT J AU Mazzolai, G Biscarini, A Coluzzi, B Mazzolai, FM Ross, AR Lograsso, TA AF Mazzolai, G Biscarini, A Coluzzi, B Mazzolai, FM Ross, AR Lograsso, TA TI Ultrasonic investigation of the B2 <-> B19 martensitic transition in a Ni40Ti50Cu10 alloy SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT 13th International Conference on Internal Friction and Ultrasonic Attentuation in Solids CY JUL 08-12, 2002 CL Bilbao, SPAIN DE martensitic transformation; elastic constants; shape memory alloys; Ni-Ti-Cu ID ELASTIC-CONSTANTS; MECHANICAL SPECTROSCOPY; SINGLE-CRYSTAL; NI50.8TI49.2 ALLOY; TRANSFORMATION; ANHARMONICITY; VICINITY; HYDROGEN; PHASE AB The elastic constants C', C-44 and C-L of a single crystal of the Ni(40)Ti(50)Ci(10) (numbers indicate at.%) alloy have been measured in the premartensitic region (320-350 K) and have been found to exhibit softening on approaching the B2 --> B19 transition from high temperature. This means that these elastic constants decrease with decreasing T. The anisotropy factor A = C-44/C' is relatively small (congruent to2.2) over all the temperature range and slightly increases with decreasing temperature down to the transition start-temperature M-s. Thus, its temperature coefficient partial derivativea/partial derivativeT has opposite sign of that exhibited by the binary Ni50.8Ti49.2 alloy prior to the B2 --> B19' transition. The present results support the view recently expressed by some authors that the B2 --> B19' transition occurring in binary Ni-Ti alloys is a consequence of concomitant lattice instabilities against {110} <1 (1) over bar0>(B2) and {001} <1 (1) over bar0>(B2) shear strains respectively corresponding to the C' and C-44 ultrasonic propagation modes. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Perugia, INFM, UDR Perugia, Dept Phys, I-06100 Perugia, Italy. Iowa State Univ, Ames Lab, Ames, IA USA. RP Univ Perugia, INFM, UDR Perugia, Dept Phys, I-06100 Perugia, Italy. EM fabio.mazzolai@fisica.unipg.it OI Biscarini, Andrea/0000-0002-0513-8805 NR 22 TC 6 Z9 6 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2004 VL 370 IS 1-2 SI SI BP 497 EP 503 DI 10.1016/j.msea.2003.08.080 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 818IJ UT WOS:000221238500101 ER PT J AU Toroczkai, Z Bassler, KE AF Toroczkai, Z Bassler, KE TI Jamming is limited in scale-free systems SO NATURE LA English DT Editorial Material ID NETWORKS C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Complex Syst Grp, Los Alamos, NM 87545 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. RP Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87545 USA. EM toro@lanl.gov RI Toroczkai, Zoltan/A-3421-2008 OI Toroczkai, Zoltan/0000-0002-6602-2849 NR 6 TC 154 Z9 157 U1 0 U2 20 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD APR 15 PY 2004 VL 428 IS 6984 BP 716 EP 716 DI 10.1038/428716a PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 812EW UT WOS:000220823800027 PM 15085122 ER PT J AU Shibata, N Pennycook, SJ Gosnell, TR Painter, GS Shelton, WA Becher, PF AF Shibata, N Pennycook, SJ Gosnell, TR Painter, GS Shelton, WA Becher, PF TI Observation of rare-earth segregation in silicon nitride ceramics at subnanometre dimensions SO NATURE LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; IMPROVED FRACTURE-TOUGHNESS; MICROSTRUCTURAL DESIGN; SI3N4 AB Silicon nitride (Si3N4) ceramics are used in numerous applications because of their superior mechanical properties(1,2). Their intrinsically brittle nature is a critical issue, but can be overcome by introducing whisker-like microstructural features(3,4). However, the formation of such anisotropic grains is very sensitive to the type of cations used as the sintering additives(1,2,5). Understanding the origin of dopant effects, central to the design of high-performance Si3N4 ceramics, has been sought for many years. Here we show direct images of dopant atoms (La) within the nanometre-scale intergranular amorphous films typically found at grain boundaries, using aberration corrected Z-contrast scanning transmission electron microscopy. It is clearly shown that the La atoms preferentially segregate to the amorphous/crystal interfaces. First-principles calculations confirm the strong preference of La for the crystalline surfaces, which is essential for forming elongated grains and a toughened microstructure. Whereas principles of micrometre-scale structural design are currently used to improve the mechanical properties of ceramics, this work represents a step towards the atomic-level structural engineering required for the next generation of ceramics. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Pixon LLC, Setauket, NY 11733 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Shibata, N (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM shibatan@ornl.gov RI Shibata, Naoya/E-5327-2013 NR 18 TC 195 Z9 197 U1 10 U2 108 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 15 PY 2004 VL 428 IS 6984 BP 730 EP 733 DI 10.1038/nature02410 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 812EW UT WOS:000220823800033 PM 15085126 ER PT J AU Naulleau, PP Denham, PE Hoef, B Rekawa, S AF Naulleau, PP Denham, PE Hoef, B Rekawa, S TI A design study for synchrotron-based high-numerical-aperture scanning illuminators SO OPTICS COMMUNICATIONS LA English DT Article DE extreme ultraviolet; lithography; microscopy; condenser; synchrotron; coherence ID EXTREME-ULTRAVIOLET LITHOGRAPHY; LIGHT-SOURCE; COHERENCE AB Scanning illumination systems provide for a powerful and flexible means of controlling illumination coherence properties. In these systems, the desired illumination divergence is synthesized through a scanning process. This method has recently been used at extreme ultraviolet (EUV) wavelengths to implement a programmable pupil fill microfield exposure system employed to lithographically characterize a 0.1-numerical aperture (NA) alpha-class EUV stepper optic. The specifics of the implementation used in that case, however, make it difficult to directly extend the implementation to higher NA optics. Here we present scanning illuminator configurations suitable for implementing high-NA lithography capabilities at a synchrotron beamline. In particular we consider the application to a 0.3-NA EUV optic with a design field of view of 1 x 3 mm at the object plane. (C) 2004 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Naulleau, PP (reprint author), Lawrence Berkeley Lab, Ctr Xray Opt, 1 Cycltoran Rd, Berkeley, CA 94720 USA. EM pnaulleau@lbl.gov NR 15 TC 9 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0030-4018 J9 OPT COMMUN JI Opt. Commun. PD APR 15 PY 2004 VL 234 IS 1-6 BP 53 EP 62 DI 10.1016/j.optcom.2004.02.021 PG 10 WC Optics SC Optics GA 810MJ UT WOS:000220708100008 ER PT J AU Hadley, GR Fleming, JG Lin, SY AF Hadley, GR Fleming, JG Lin, SY TI Bragg fiber design for linear polarization SO OPTICS LETTERS LA English DT Article AB A new design is presented for Bragg fibers that allows low-loss propagation for linearly polarized light. Predictions based on a simple ray model show that approximately doubling the thickness of the first wall layer results in low losses at TM-like boundaries while keeping TE-like boundary losses manageable. This contrasts sharply with conventional quarter-wave designs that are extremely low loss for TE01 modes but very high loss for linear polarization. We fabricate Bragg fibers based on this design concept in a Si/SiO2 system and verify experimentally that they propagate linearly polarized light with losses less than 6 dB/cm over a 60-nm spectral range. (C) 2004 Optical Society of America. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hadley, GR (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM grhadle@sandia.gov NR 7 TC 36 Z9 36 U1 1 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD APR 15 PY 2004 VL 29 IS 8 BP 809 EP 811 DI 10.1364/OL.29.000809 PG 3 WC Optics SC Optics GA 809RF UT WOS:000220653100005 PM 15119385 ER PT J AU Brixner, T Stiopkin, IV Fleming, GR AF Brixner, T Stiopkin, IV Fleming, GR TI Tunable two-dimensional femtosecond spectroscopy SO OPTICS LETTERS LA English DT Article ID TRANSFORM SPECTRAL INTERFEROMETRY; TRANSIENT-GRATING SPECTROSCOPY; DOMAIN RESONANT SPECTROSCOPIES; INTRAMOLECULAR VIBRATIONS; ELECTRONIC SPECTROSCOPY; INFRARED-SPECTROSCOPY; HETERODYNE-DETECTION; DIFFRACTIVE OPTICS; PHOTON-ECHOES; 3RD-ORDER AB We have developed a two-dimensional (M) Fourier-transform femtosecond spectroscopy technique for the visible spectral region. Three-pulse photon echo signals are generated in a phase-matched noncollinear four-wave mixing box geometry that employs a 3-kHz repetition-rate laser system and optical parametric amplification. Nonlinear signals are fully characterized in amplitude and phase by spectral interferometry. Unlike for previous setups, we achieve long-term phase stability by employing diffractive optics and interferometric accuracy of excitation-pulse time delays by using movable glass wedges. As an example of this technique, 2D correlation and relaxation spectra at 600 nm are shown for a solution of Nile Blue dye in acetonitrile. (C) 2004 Optical Society of America. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Brixner, T (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov RI Brixner, Tobias/S-1451-2016 OI Brixner, Tobias/0000-0002-6529-704X NR 22 TC 136 Z9 139 U1 3 U2 59 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD APR 15 PY 2004 VL 29 IS 8 BP 884 EP 886 DI 10.1364/OL.29.000884 PG 3 WC Optics SC Optics GA 809RF UT WOS:000220653100030 PM 15119410 ER PT J AU Abbott, B Abbott, R Adhikari, R Ageev, A Allen, B Amin, R Anderson, SB Anderson, WG Araya, M Armandula, H Asiri, F Aufmuth, P Aulbert, C Babak, S Balasubramanian, R Ballmer, S Barish, BC Barker, D Barker-Patton, C Barnes, M Barr, B Barton, MA Bayer, K Beausoleil, R Belczynski, K Bennett, R Berukoff, SJ Betzwieser, J Bhawal, B Bilenko, IA Billingsley, G Black, E Blackburn, K Bland-Weaver, B Bochner, B Bogue, L Bork, R Bose, S Brady, PR Braginsky, VB Brau, JE Brown, DA Brozek, S Bullington, A Buonanno, A Burgess, R Busby, D Butler, WE Byer, RL Cadonati, L Cagnoli, G Camp, JB Cantley, CA Cardenas, L Carter, K Casey, MM Castiglione, J Chandler, A Chapsky, J Charlton, P Chatterji, S Chen, Y Chickarmane, V Chin, D Christensen, N Churches, D Colacino, C Coldwell, R Coles, M Cook, D Corbitt, T Coyne, D Creighton, JDE Creighton, TD Crooks, DRM Csatorday, P Cusack, BJ Cutler, C D'Ambrosio, E Danzmann, K Davies, R Daw, E DeBra, D Delker, T DeSalvo, R Dhurandhar, S Diaz, M Ding, H Drever, RWP Dupuis, RJ Ebeling, C Edlund, J Ehrens, P Elliffe, EJ Etzel, T Evans, M Evans, T Fallnich, C Farnham, D Fejer, MM Fine, M Finn, LS Flanagan, E Freise, A Frey, R Fritschel, P Frolov, V Fyffe, M Ganezer, KS Giaime, JA Gillespie, A Goda, K Gonzalez, G Gossler, S Grandclement, P Grant, A Gray, C Gretarsson, AM Grimmett, D Grote, H Grunewald, S Guenther, M Gustafson, E Gustafson, R Hamilton, WO Hammond, M Hanson, J Hardham, C Harry, G Hartunian, A Heefner, J Hefetz, Y Heinzel, G Heng, IS Hennessy, M Hepler, N Heptonstall, A Heurs, M Hewitson, M Hindman, N Hoang, P Hough, J Hrynevych, M Hua, W Ingley, R Ito, M Itoh, Y Ivanov, A Jennrich, O Johnson, WW Johnston, W Jones, L Jungwirth, D Kalogera, V Katsavounidis, E Kawabe, K Kawamura, S Kells, W Kern, J Khan, A Killbourn, S Killow, CJ Kim, C King, C King, P Klimenko, S Kloevekorn, P Koranda, S Kotter, K Kovalik, J Kozak, D Krishnan, B Landry, M Langdale, J Lantz, B Lawrence, R Lazzarini, A Lei, M Leonhardt, V Leonor, I Libbrecht, K Lindquist, P Liu, S Logan, J Lormand, M Lubinski, M Luck, H Lyons, TT Machenschalk, B MacInnis, M Mageswaran, M Mailand, K Majid, W Malec, M Mann, F Marin, A Marka, S Maros, E Mason, J Mason, K Matherny, O Matone, L Mavalvala, N McCarthy, R McClelland, DE McHugh, M McNamara, P Mendell, G Meshkov, S Messenger, C Mitrofanov, VP Mitselmakher, G Mittleman, R Miyakawa, O Miyoki, S Mohanty, S Moreno, G Mossavi, K Mours, B Mueller, G Mukherjee, S Myers, J Nagano, S Nash, T Naundorf, H Nayak, R Newton, G Nocera, F Nutzman, P Olson, T O'Reilly, B Ottaway, DJ Ottewill, A Ouimette, D Overmier, H Owen, BJ Papa, MA Parameswariah, C Parameswariah, V Pedraza, M Penn, S Pitkin, M Plissi, M Pratt, M Quetschke, V Raab, F Radkins, H Rahkola, R Rakhmanov, M Rao, SR Redding, D Regehr, MW Regimbau, T Reilly, KT Reithmaier, K Reitze, DH Richman, S Riesen, R Riles, K Rizzi, A Robertson, DI Robertson, NA Robison, L Roddy, S Rollins, J Romano, JD Romie, J Rong, H Rose, D Rotthoff, E Rowan, S Rudiger, A Russell, P Ryan, K Salzman, I Sanders, GH Sannibale, V Sathyaprakash, B Saulson, PR Savage, R Sazonov, A Schilling, R Schlaufman, K Schmidt, V Schofield, R Schrempel, M Schutz, BF Schwinberg, P Scott, SM Searle, AC Sears, B Seel, S Sengupta, AS Shapiro, CA Shawhan, P Shoemaker, DH Shu, QZ Sibley, A Siemens, X Sievers, L Sigg, D Sintes, AM Skeldon, K Smith, JR Smith, M Smith, MR Sneddon, P Spero, R Stapfer, G Strain, KA Strom, D Stuver, A Summerscales, T Sumner, MC Sutton, PJ Sylvestre, J Takamori, A Tanner, DB Tariq, H Taylor, I Taylor, R Thorne, KS Tibbits, M Tilav, S Tinto, M Tokmakov, KV Torres, C Torrie, C Traeger, S Traylor, G Tyler, W Ugolini, D Vallisneri, M van Putten, M Vass, S Vecchio, A Vorvick, C Vyachanin, SP Wallace, L Walther, H Ward, H Ware, B Watts, K Webber, D Weidner, A Weiland, U Weinstein, A Weiss, R Welling, H Wen, L Wen, S Whelan, JT Whitcomb, SE Whiting, BF Willems, PA Williams, PR Williams, R Willke, B Wilson, A Winjum, BJ Winkler, W Wise, S Wiseman, AG Woan, G Wooley, R Worden, J Yakushin, I Yamamoto, H Yoshida, S Zawischa, I Zhang, L Zotov, N Zucker, M Zweizig, J AF Abbott, B Abbott, R Adhikari, R Ageev, A Allen, B Amin, R Anderson, SB Anderson, WG Araya, M Armandula, H Asiri, F Aufmuth, P Aulbert, C Babak, S Balasubramanian, R Ballmer, S Barish, BC Barker, D Barker-Patton, C Barnes, M Barr, B Barton, MA Bayer, K Beausoleil, R Belczynski, K Bennett, R Berukoff, SJ Betzwieser, J Bhawal, B Bilenko, IA Billingsley, G Black, E Blackburn, K Bland-Weaver, B Bochner, B Bogue, L Bork, R Bose, S Brady, PR Braginsky, VB Brau, JE Brown, DA Brozek, S Bullington, A Buonanno, A Burgess, R Busby, D Butler, WE Byer, RL Cadonati, L Cagnoli, G Camp, JB Cantley, CA Cardenas, L Carter, K Casey, MM Castiglione, J Chandler, A Chapsky, J Charlton, P Chatterji, S Chen, Y Chickarmane, V Chin, D Christensen, N Churches, D Colacino, C Coldwell, R Coles, M Cook, D Corbitt, T Coyne, D Creighton, JDE Creighton, TD Crooks, DRM Csatorday, P Cusack, BJ Cutler, C D'Ambrosio, E Danzmann, K Davies, R Daw, E DeBra, D Delker, T DeSalvo, R Dhurandhar, S Diaz, M Ding, H Drever, RWP Dupuis, RJ Ebeling, C Edlund, J Ehrens, P Elliffe, EJ Etzel, T Evans, M Evans, T Fallnich, C Farnham, D Fejer, MM Fine, M Finn, LS Flanagan, E Freise, A Frey, R Fritschel, P Frolov, V Fyffe, M Ganezer, KS Giaime, JA Gillespie, A Goda, K Gonzalez, G Gossler, S Grandclement, P Grant, A Gray, C Gretarsson, AM Grimmett, D Grote, H Grunewald, S Guenther, M Gustafson, E Gustafson, R Hamilton, WO Hammond, M Hanson, J Hardham, C Harry, G Hartunian, A Heefner, J Hefetz, Y Heinzel, G Heng, IS Hennessy, M Hepler, N Heptonstall, A Heurs, M Hewitson, M Hindman, N Hoang, P Hough, J Hrynevych, M Hua, W Ingley, R Ito, M Itoh, Y Ivanov, A Jennrich, O Johnson, WW Johnston, W Jones, L Jungwirth, D Kalogera, V Katsavounidis, E Kawabe, K Kawamura, S Kells, W Kern, J Khan, A Killbourn, S Killow, CJ Kim, C King, C King, P Klimenko, S Kloevekorn, P Koranda, S Kotter, K Kovalik, J Kozak, D Krishnan, B Landry, M Langdale, J Lantz, B Lawrence, R Lazzarini, A Lei, M Leonhardt, V Leonor, I Libbrecht, K Lindquist, P Liu, S Logan, J Lormand, M Lubinski, M Luck, H Lyons, TT Machenschalk, B MacInnis, M Mageswaran, M Mailand, K Majid, W Malec, M Mann, F Marin, A Marka, S Maros, E Mason, J Mason, K Matherny, O Matone, L Mavalvala, N McCarthy, R McClelland, DE McHugh, M McNamara, P Mendell, G Meshkov, S Messenger, C Mitrofanov, VP Mitselmakher, G Mittleman, R Miyakawa, O Miyoki, S Mohanty, S Moreno, G Mossavi, K Mours, B Mueller, G Mukherjee, S Myers, J Nagano, S Nash, T Naundorf, H Nayak, R Newton, G Nocera, F Nutzman, P Olson, T O'Reilly, B Ottaway, DJ Ottewill, A Ouimette, D Overmier, H Owen, BJ Papa, MA Parameswariah, C Parameswariah, V Pedraza, M Penn, S Pitkin, M Plissi, M Pratt, M Quetschke, V Raab, F Radkins, H Rahkola, R Rakhmanov, M Rao, SR Redding, D Regehr, MW Regimbau, T Reilly, KT Reithmaier, K Reitze, DH Richman, S Riesen, R Riles, K Rizzi, A Robertson, DI Robertson, NA Robison, L Roddy, S Rollins, J Romano, JD Romie, J Rong, H Rose, D Rotthoff, E Rowan, S Rudiger, A Russell, P Ryan, K Salzman, I Sanders, GH Sannibale, V Sathyaprakash, B Saulson, PR Savage, R Sazonov, A Schilling, R Schlaufman, K Schmidt, V Schofield, R Schrempel, M Schutz, BF Schwinberg, P Scott, SM Searle, AC Sears, B Seel, S Sengupta, AS Shapiro, CA Shawhan, P Shoemaker, DH Shu, QZ Sibley, A Siemens, X Sievers, L Sigg, D Sintes, AM Skeldon, K Smith, JR Smith, M Smith, MR Sneddon, P Spero, R Stapfer, G Strain, KA Strom, D Stuver, A Summerscales, T Sumner, MC Sutton, PJ Sylvestre, J Takamori, A Tanner, DB Tariq, H Taylor, I Taylor, R Thorne, KS Tibbits, M Tilav, S Tinto, M Tokmakov, KV Torres, C Torrie, C Traeger, S Traylor, G Tyler, W Ugolini, D Vallisneri, M van Putten, M Vass, S Vecchio, A Vorvick, C Vyachanin, SP Wallace, L Walther, H Ward, H Ware, B Watts, K Webber, D Weidner, A Weiland, U Weinstein, A Weiss, R Welling, H Wen, L Wen, S Whelan, JT Whitcomb, SE Whiting, BF Willems, PA Williams, PR Williams, R Willke, B Wilson, A Winjum, BJ Winkler, W Wise, S Wiseman, AG Woan, G Wooley, R Worden, J Yakushin, I Yamamoto, H Yoshida, S Zawischa, I Zhang, L Zotov, N Zucker, M Zweizig, J CA LIGO Sci Collaboration TI Setting upper limits on the strength of periodic gravitational waves from PSR J1939+2134 using the first science data from the GEO 600 and LIGO detectors SO PHYSICAL REVIEW D LA English DT Article ID ROTATING RELATIVISTIC STARS; ACCRETING NEUTRON-STARS; X-RAY BINARIES; MILLISECOND PULSARS; RADIATION; INTERFEROMETER; INSTABILITY; B1937+21; SEARCH AB Data collected by the GEO 600 and LIGO interferometric gravitational wave detectors during their first observational science run were searched for continuous gravitational waves from the pulsar J1939+2134 at twice its rotation frequency. Two independent analysis methods were used and are demonstrated in this paper: a frequency domain method and a time domain method. Both achieve consistent null results, placing new upper limits on the strength of the pulsar's gravitational wave emission. A model emission mechanism is used to interpret the limits as a constraint on the pulsar's equatorial ellipticity. C1 CALTECH, LIGO, Pasadena, CA 91125 USA. Max Planck Inst Gravitat Phys, Albert Einstein Inst, D-14476 Golm, Germany. Max Planck Inst Gravitat Phys, Albert Einstein Inst, D-30167 Hannover, Germany. Australian Natl Univ, Canberra, ACT 0200, Australia. CALTECH, Pasadena, CA 91125 USA. Calif State Univ Dominguez Hills, Carson, CA 90747 USA. CALTECH, CaRT, Pasadena, CA 91125 USA. Cardiff Univ, Cardiff CF2 3YB, S Glam, Wales. Carleton Coll, Northfield, MN 55057 USA. Cornell Univ, Ithaca, NY 14853 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Hobart & William Smith Coll, Geneva, NY 14456 USA. Interuniv Ctr Astron & Astrophys, Pune 411007, Maharashtra, India. MIT, LIGO, Cambridge, MA 02139 USA. Hanford Observ, LIGO, Richland, WA 99352 USA. Livingston Observ, LIGO, Livingston, LA 70754 USA. Louisiana State Univ, Baton Rouge, LA 70803 USA. Louisiana Tech Univ, Ruston, LA 71272 USA. Loyola Univ, New Orleans, LA 70118 USA. Max Planck Inst Quantum Opt, D-85748 Garching, Germany. Moscow MV Lomonosov State Univ, Moscow 119992, Russia. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Natl Astron Observ Japan, Tokyo 1818588, Japan. Northwestern Univ, Evanston, IL 60208 USA. Salish Kootenai Coll, Pablo, MT 59855 USA. SE Louisiana Univ, Hammond, LA 70402 USA. Stanford Univ, Stanford, CA 94305 USA. Syracuse Univ, Syracuse, NY 13244 USA. Penn State Univ, University Pk, PA 16802 USA. Univ Texas, Brownsville, TX 78520 USA. Texas Southmost Coll, Brownsville, TX 78520 USA. Trinity Univ, San Antonio, TX 78212 USA. Leibniz Univ Hannover, D-30167 Hannover, Germany. Univ Illes Balears, E-07071 Palma de Mallorca, Spain. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Univ Florida, Gainesville, FL 32611 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Univ Michigan, Ann Arbor, MI 48109 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Rochester, Rochester, NY 14627 USA. Univ Wisconsin, Milwaukee, WI 53201 USA. Washington State Univ, Pullman, WA 99164 USA. RP CALTECH, LIGO, Pasadena, CA 91125 USA. RI Pitkin, Matthew/I-3802-2013; Vyatchanin, Sergey/J-2238-2012; Chen, Yanbei/A-2604-2013; Bilenko, Igor/D-5172-2012; Sylvestre, Julien/A-8610-2009; Casey, Morag/C-9703-2010; Raab, Frederick/E-2222-2011; Rowan, Sheila/E-3032-2010; Lueck, Harald/F-7100-2011; Freise, Andreas/F-8892-2011; Kawabe, Keita/G-9840-2011; Ottewill, Adrian/A-1838-2016; Frey, Raymond/E-2830-2016; Beausoleil, Raymond/C-5076-2009; McClelland, David/E-6765-2010; Schutz, Bernard/B-1504-2010; Strain, Kenneth/D-5236-2011; Mitrofanov, Valery/D-8501-2012; Allen, Bruce/K-2327-2012; Barker, David/A-5671-2013; Liu, Sheng/K-2815-2013; van Putten, Maurice/F-5237-2011; Vecchio, Alberto/F-8310-2015; Finn, Lee Samuel/A-3452-2009; Ottaway, David/J-5908-2015; Sigg, Daniel/I-4308-2015; OI Pitkin, Matthew/0000-0003-4548-526X; Sylvestre, Julien/0000-0001-8136-4348; Lueck, Harald/0000-0001-9350-4846; Ottewill, Adrian/0000-0003-3293-8450; Frey, Raymond/0000-0003-0341-2636; McClelland, David/0000-0001-6210-5842; Strain, Kenneth/0000-0002-2066-5355; Allen, Bruce/0000-0003-4285-6256; Vecchio, Alberto/0000-0002-6254-1617; Finn, Lee Samuel/0000-0002-3937-0688; Sigg, Daniel/0000-0003-4606-6526; Whelan, John/0000-0001-5710-6576; Stuver, Amber/0000-0003-0324-5735; O'Shaughnessy, Richard/0000-0001-5832-8517; Taylor, Ian/0000-0001-5040-0772; Zweizig, John/0000-0002-1521-3397; Aulbert, Carsten/0000-0002-1481-8319; Heurs, Michele/0000-0002-5577-2273; Freise, Andreas/0000-0001-6586-9901; Tokmakov, Kirill/0000-0002-2808-6593; Whiting, Bernard F/0000-0002-8501-8669; Papa, M.Alessandra/0000-0002-1007-5298 NR 46 TC 163 Z9 163 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 15 PY 2004 VL 69 IS 8 AR 082004 DI 10.1103/PhysRevD.69.082004 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 818XI UT WOS:000221277400006 ER PT J AU Chisholm, JR Kolb, EW AF Chisholm, JR Kolb, EW TI Lorentz invariance violation in top-down scenarios of ultrahigh energy cosmic ray creation SO PHYSICAL REVIEW D LA English DT Article ID DARK-MATTER; PARTICLES; INFLATION; SPECTRUM; UNIVERSE; CUTOFF; DECAY; TESTS AB The violation of Lorentz invariance has been invoked in a number of ways to explain issues dealing with ultrahigh energy cosmic ray (UHECR) production and propagation. These treatments, however, have mostly been limited to examples in the proton-neutron system and photon-electron system. In this paper we show how a broader violation of Lorentz invariance would allow for a series of previously forbidden decays to occur, and how that could lead to UHECR primaries being heavy baryonic states or Higgs bosons. C1 Fermilab Natl Accelerator Lab, Fermilab Astrophys, Batavia, IL 60510 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Chisholm, JR (reprint author), Fermilab Natl Accelerator Lab, Fermilab Astrophys, POB 500, Batavia, IL 60510 USA. NR 42 TC 9 Z9 9 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 15 PY 2004 VL 69 IS 8 AR 085001 DI 10.1103/PhysRevD.69.085001 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 818XI UT WOS:000221277400062 ER PT J AU Gukov, S Kachru, S Liu, X McAllister, L AF Gukov, S Kachru, S Liu, X McAllister, L TI Heterotic moduli stabilization with fractional Chern-Simons invariants SO PHYSICAL REVIEW D LA English DT Review ID DYNAMICAL SUPERSYMMETRY BREAKING; CALABI-YAU THREEFOLDS; MIRROR SYMMETRY; GAUGE-THEORIES; COSMOLOGICAL IMPLICATIONS; GLUINO CONDENSATION; SUPERSTRING MODELS; STRING THEORY; F-THEORY; COMPACTIFICATIONS AB We show that fractional flux from Wilson lines can stabilize the moduli of heterotic string compactifications on Calabi-Yau threefolds. We observe that the Wilson lines used in GUT symmetry breaking naturally induce a fractional flux. When combined with a hidden-sector gaugino condensate, this generates a potential for the complex structure moduli, Kahler moduli, and dilaton. This potential has a supersymmetric AdS minimum at moderately weak coupling and large volume. Notably, the necessary ingredients for this construction are often present in realistic models. We explore the type IIA dual phenomenon, which involves Wilson lines in D6-branes wrapping a three-cycle in a Calabi-Yau threefold, and comment on the nature of the fractional instantons that change the Chern-Simons invariant. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Gukov, S (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. EM gukov@tomonaga.harvard.edu; skachru@stanford.edu; liuxiao@itp.stanford.edu; lpm@itp.stanford.edu NR 102 TC 84 Z9 84 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2821 J9 PHYS REV D JI Phys. Rev. D PD APR 15 PY 2004 VL 69 IS 8 AR 086008 DI 10.1103/PhysRevD.69.086008 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 818XI UT WOS:000221277400081 ER PT J AU Perrotta, F Matarrese, S Pietroni, M Schimd, C AF Perrotta, F Matarrese, S Pietroni, M Schimd, C TI Nonlinear perturbations in scalar-tensor cosmologies SO PHYSICAL REVIEW D LA English DT Article ID DARK ENERGY; ACCELERATING UNIVERSE; POWER SPECTRUM; CONSTANT; CONSTRAINTS; MODELS; GALAXIES; QUINTESSENCE; SUPERNOVAE; COMPONENT AB Can local fluctuations of a "quintessence" scalar field play a dynamical role in the gravitational clustering and cosmic structure formation process? We address this question in the general framework of scalar-tensor theories of gravity. Nonlinear energy density perturbations, both in the scalar field and matter component, and linear metric perturbations are accounted for in the perturbed Einstein equations. We derive the Newtonian limit of the relevant equations for clustering in scalar-tensor cosmologies. We then specialize to nonlinear perturbations of the "extended quintessence" model of dark energy; in such a model, a nonminimally coupled scalar field is thought to be responsible for driving the present accelerated phase of the Universe expansion. The interplay between dark energy and dark matter is displayed in the equations governing the growth of structure in the Universe. C1 SISSA, ISAS, I-34014 Trieste, Italy. Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Padua, Dipartimento Fis G Galilei, I-35131 Padua, Italy. Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. Univ Parma, Dipartimento Fis M Melloni, I-43100 Parma, Italy. Ist Nazl Fis Nucl, Grp Collegato Parma, I-43100 Parma, Italy. RP Perrotta, F (reprint author), SISSA, ISAS, Via Beirut 4, I-34014 Trieste, Italy. NR 61 TC 30 Z9 30 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD APR 15 PY 2004 VL 69 IS 8 AR 084004 DI 10.1103/PhysRevD.69.084004 PG 11 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 818XI UT WOS:000221277400039 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Wahl, M Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Merlo, MM Pantea, D Pegna, DL Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Luiggi, E Mendez, H Paris, A Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Dalitz plot analysis of D-s(+) and D+ decay to pi(+) pi(-) pi(+) using the K-matrix formalism SO PHYSICS LETTERS B LA English DT Article DE amplitude analysis; charm decay; light scalars AB FOCUS results from Dalitz plot analyses of D-s(+) and D+ to pi(+)pi(-)pi(+) are presented. The K-matrix formalism is applied to charm decays for the first time, which allows us to fully exploit the already existing knowledge coming from light-meson spectroscopy experiments. In particular all the measured dynamics of the S-wave pipi scattering, characterized by broad/overlapping resonances and large non-resonant background, can be properly included. This Letter studies the extent to which the K-matrix approach is able to reproduce the observed Dalitz plot and thus help us to understand the underlying dynamics. The results are discussed along with their possible implications for the controversial sigma meson. (C) 2004 Elsevier B.V. All rights reserved. C1 Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, I-20122 Milan, Italy. Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Nazl Frascati Lab, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Univ N Carolina, Asheville, NC 28804 USA. Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Malvezzi, S (reprint author), Ist Nazl Fis Nucl, Via Celoria 16, I-20133 Milan, Italy. EM sandra.malvezzi@mi.infn.it RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; Menasce, Dario Livio/A-2168-2016; Gianini, Gabriele/M-5195-2014; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Menasce, Dario Livio/0000-0002-9918-1686; Kutschke, Robert/0000-0001-9315-2879; Gianini, Gabriele/0000-0001-5186-0199; bianco, stefano/0000-0002-8300-4124; Kryemadhi, Abaz/0000-0002-1240-2803 NR 13 TC 59 Z9 59 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 15 PY 2004 VL 585 IS 3-4 BP 200 EP 212 DI 10.1016/j.physletb.2004.01.065 PG 13 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 808MU UT WOS:000220574000002 ER PT J AU Airapetian, A Akopov, N Akopov, Z Amarian, M Ammosov, VV Andrus, A Aschenauer, EC Augustyniak, W Avakian, R Avetissian, A Avetissian, E Bailey, P Balin, D Baturin, V Beckmann, M Belostotski, S Bernreuther, S Bianchi, N Blok, HP Bottcher, H Borissov, A Borysenko, A Bouwhuis, M Brack, J Brull, A Bryzgalov, V Capitani, GP Chen, T Chen, X Chiang, HC Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R De Nardo, L De Sanctis, E Devitsin, E Di Nezza, P Duren, M Ehrenfried, M Elalaoui-Moulay, A Elbakian, G Ellinghaus, F Elschenbroich, U Ely, J Fabbri, R Fantoni, A Fechtchenko, A Felawka, L Fox, B Frullani, S Gapienko, G Gapienko, V Garibaldi, Y Garrow, K Garutti, E Gaskell, D Gavrilov, G Gharibyan, V Graw, G Grebeniouk, O Greeniaus, LG Gregor, IM Hafidi, K Hartig, M Hasch, D Heesbeen, D Henoch, M Hertenberger, R Hesselink, WHA Hillenbrand, A Hoek, M Holler, Y Hommez, B Iarygin, G Ivanilov, A Izotov, A Jackson, HE Jgoun, A Kaiser, R Kinney, E Kisselev, A Kopytin, M Korotkov, V Kozlov, V Krauss, B Krivokhijine, VG Lagamba, L Lapikas, L Laziev, A Lenisa, P Liebing, P Linden-Levy, LA Lipka, K Lorenzon, W Lu, H Lu, J Lu, S Lu, X Ma, BQ Maiheu, B Makins, NCR Mao, Y Marianski, B Marukyan, H Masoli, F Mexner, V Meyners, N Mikloukho, O Miller, CA Miyachi, Y Muccifora, V Nagaitsev, A Nappi, E Naryshkin, Y Nass, A Negodaev, M Nowak, WD Oganessyan, K Ohsuga, H Pickert, N Potashov, S Potterveld, DH Raithel, M Reggiani, D Reimer, PE Reischl, A Reolon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubacek, L Rubin, J Ryckbosch, D Salomatin, Y Sanjiev, I Savin, I Schafer, A Schill, C Schnell, G Schuler, KP Seele, J Seidl, R Seitz, B Shanidze, R Shearer, C Shibata, TA Shutov, V Simani, MC Sinram, K Stancari, M Statera, M Steffens, E Steijger, JJM Stenzel, H Stewart, J Stinzing, F Stosslein, U Tait, P Tanaka, H Taroian, S Tchuiko, B Terklov, A Tkabladze, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, P van der Steenhoven, G Vetterli, MC Vikhrov, V Vincter, MG Vogel, C Vogt, M Volmer, J Weiskopf, C Wendland, J Wilbert, J Smit, GY Ye, Y Ye, Z Yen, Z Yu, W Zihlmann, B Zohrabian, H Zupranski, P AF Airapetian, A Akopov, N Akopov, Z Amarian, M Ammosov, VV Andrus, A Aschenauer, EC Augustyniak, W Avakian, R Avetissian, A Avetissian, E Bailey, P Balin, D Baturin, V Beckmann, M Belostotski, S Bernreuther, S Bianchi, N Blok, HP Bottcher, H Borissov, A Borysenko, A Bouwhuis, M Brack, J Brull, A Bryzgalov, V Capitani, GP Chen, T Chen, X Chiang, HC Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R De Nardo, L De Sanctis, E Devitsin, E Di Nezza, P Duren, M Ehrenfried, M Elalaoui-Moulay, A Elbakian, G Ellinghaus, F Elschenbroich, U Ely, J Fabbri, R Fantoni, A Fechtchenko, A Felawka, L Fox, B Frullani, S Gapienko, G Gapienko, V Garibaldi, Y Garrow, K Garutti, E Gaskell, D Gavrilov, G Gharibyan, V Graw, G Grebeniouk, O Greeniaus, LG Gregor, IM Hafidi, K Hartig, M Hasch, D Heesbeen, D Henoch, M Hertenberger, R Hesselink, WHA Hillenbrand, A Hoek, M Holler, Y Hommez, B Iarygin, G Ivanilov, A Izotov, A Jackson, HE Jgoun, A Kaiser, R Kinney, E Kisselev, A Kopytin, M Korotkov, V Kozlov, V Krauss, B Krivokhijine, VG Lagamba, L Lapikas, L Laziev, A Lenisa, P Liebing, P Linden-Levy, LA Lipka, K Lorenzon, W Lu, H Lu, J Lu, S Lu, X Ma, BQ Maiheu, B Makins, NCR Mao, Y Marianski, B Marukyan, H Masoli, F Mexner, V Meyners, N Mikloukho, O Miller, CA Miyachi, Y Muccifora, V Nagaitsev, A Nappi, E Naryshkin, Y Nass, A Negodaev, M Nowak, WD Oganessyan, K Ohsuga, H Pickert, N Potashov, S Potterveld, DH Raithel, M Reggiani, D Reimer, PE Reischl, A Reolon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubacek, L Rubin, J Ryckbosch, D Salomatin, Y Sanjiev, I Savin, I Schafer, A Schill, C Schnell, G Schuler, KP Seele, J Seidl, R Seitz, B Shanidze, R Shearer, C Shibata, TA Shutov, V Simani, MC Sinram, K Stancari, M Statera, M Steffens, E Steijger, JJM Stenzel, H Stewart, J Stinzing, F Stosslein, U Tait, P Tanaka, H Taroian, S Tchuiko, B Terklov, A Tkabladze, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, P van der Steenhoven, G Vetterli, MC Vikhrov, V Vincter, MG Vogel, C Vogt, M Volmer, J Weiskopf, C Wendland, J Wilbert, J Smit, GY Ye, Y Ye, Z Yen, Z Yu, W Zihlmann, B Zohrabian, H Zupranski, P CA HERMES Collaboration TI Evidence for a narrow vertical bar S vertical bar=1 baryon state at a mass of 1528 MeV in quasi-real photoproduction SO PHYSICS LETTERS B LA English DT Article DE glueball and nonstandard multi-quark/gluon states; photon and charged-lepton interactions with hadrons; baryon production; baryons ID SKYRME MODEL; POSITIVE-STRANGENESS; EXOTIC HADRONS; PENTAQUARK; DECUPLET; DETECTOR AB Evidence for a narrow baryon state is found in quasi-real photoproduction on a deuterium target through the decay channel pK(S)(0) --> ppi(+)pi(-). A peak is observed in the pK(S)(0) invariant mass spectrum at 1528 +/- 2.6(stat) +/- 2.1(syst) MeV. Depending on the background model, the naive statistical significance of the peak is 4-6 standard deviations and its width may be somewhat larger than the experimental resolution of sigma = 4.3-6.2 MeV. This state may be interpreted as the predicted S = +1 exotic Theta(+)(uudd (s) over bar) pentaquark baryon. No signal for an hypothetical Theta(++) baryon was observed in the pK(+) invariant mass distribution. The absence of such a signal indicates that an isotensor Theta is excluded and an isovector Theta is unlikely. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Alberta, Dept Phys, Edmonton, AB T6G 2J1, Canada. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Ist Nazl Fis Nucl, Sez Bari, I-70124 Bari, Italy. Peking Univ, Sch Phys, Beijing 100871, Peoples R China. Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. Univ Colorado, Nucl Phys Lab, Boulder, CO 80309 USA. DESY, D-22603 Hamburg, Germany. DESY, D-15739 Zeuthen, Germany. Joint Inst Nucl Res, Dubna 141980, Russia. Univ Erlangen Nurnberg, Inst Phys, D-90158 Erlangen, Germany. Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. Univ Giessen, Inst Phys, D-35392 Giessen, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. PN Lebedev Phys Inst, Moscow 117924, Russia. Univ Munich, Sekt Phys, D-85748 Garching, Germany. NIKHEF H, Natl Inst Kernfys & Hoge Energiefys, NL-1009 DB Amsterdam, Netherlands. Petersburg Nucl Phys Inst, Gatchina 188350, Russia. Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. Ist Nazl Fis Nucl, Sez Roma 1, Grp Sanita, I-00161 Rome, Italy. Ist Super Sanita, Phys Lab, I-00161 Rome, Italy. Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. TRIUMF, Vancouver, BC V6T 2A3, Canada. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. Andrzej Soltan Inst Nucl Studies, PL-00689 Warsaw, Poland. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Airapetian, A (reprint author), Univ Alberta, Dept Phys, Edmonton, AB T6G 2J1, Canada. EM elke@hermes.le.desy.de RI Deconinck, Wouter/F-4054-2012; Gavrilov, Gennady/C-6260-2013; Reimer, Paul/E-2223-2013; Negodaev, Mikhail/A-7026-2014; Lyu, Xiao-Rui/H-4080-2014; El Alaoui, Ahmed/B-4638-2015; Kozlov, Valentin/M-8000-2015; Terkulov, Adel/M-8581-2015; OI Lyu, Xiao-Rui/0000-0001-5689-9578; Lagamba, Luigi/0000-0002-0233-9812; Hoek, Matthias/0000-0002-1893-8764 NR 33 TC 318 Z9 324 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD APR 15 PY 2004 VL 585 IS 3-4 BP 213 EP 222 DI 10.1016/j.physletb.2004.01.079 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 808MU UT WOS:000220574000003 ER PT J AU Guest, A Schubert, G Gable, CW AF Guest, A Schubert, G Gable, CW TI Stresses along the metastable wedge of olivine in a subducting slab: possible explanation for the Tonga double seismic layer SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article; Proceedings Paper CT Workshop/Summer School on Structure and Tectonics of Convergent Plate Margins CY JUL 01-06, 2002 CL Zahradky Castle, CZECH REPUBLIC SP Acad Sci Czech Republic, Geophys Inst, Charles Univ, Fac Math & Phys, Int Assoc Seismol & Phys Earth Interior DE subduction stress; phase transformations; double seismic zone; Tonga ID DEEP-FOCUS EARTHQUAKES; CRYSTAL ELASTIC PROPERTIES; MANTLE TRANSITION ZONE; HIGH-TEMPERATURE CREEP; SPINEL TRANSFORMATION; PHASE-TRANSITIONS; SEISMOLOGICAL EVIDENCE; OCEANIC LITHOSPHERE; DESCENDING SLAB; PEROVSKITE AB A numerical calculation of the stresses associated with changes in volume during phase transitions of olivine in a descending slab results in a double layer of high shear stress along the metastable olivine wedge in the depth range 350-460 km. Stress in the upper layer is in-plane tensional and stress in the lower layer is down-dip compressional. The modeled stress field agrees with observations of stress in the Tonga double seismic zone. High shear stress also exists in the slab at depths below the metastable wedge. This stress distribution involves down-dip compression and trench-parallel tension, which agrees with about half of the focal mechanisms in the Tonga slab at depths of 460-690 km. The model supports the idea that at least two possible stress release mechanisms for deep earthquakes may act in the Tonga subducting slab. One, transformational faulting, is restricted to the metastable wedge while the other one acts below the metastable wedge. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Calif Los Angeles, Dept Earth & Space Sci, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. Acad Sci Czech Republ, Inst Geophys, Prague, Czech Republic. RP Guest, A (reprint author), Univ Calif Los Angeles, Dept Earth & Space Sci, Los Angeles, CA 90095 USA. EM alickaguest@yahoo.com; schubert@ucla.edu; gable@lanl.gov RI Gable, Carl/B-4689-2011; OI Gable, Carl/0000-0001-7063-0815 NR 55 TC 15 Z9 18 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-9201 J9 PHYS EARTH PLANET IN JI Phys. Earth Planet. Inter. PD APR 15 PY 2004 VL 141 IS 4 BP 253 EP 267 DI 10.1016/j.pepi.2003.11.012 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 807YD UT WOS:000220535900003 ER PT J AU Goedeke, SM Allison, SW Datskos, PG AF Goedeke, SM Allison, SW Datskos, PG TI Non-contact current measurement with cobalt-coated microcantilevers SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE MEMS current sensor; fiber optic; microcantilever; cobalt ID INTERFACES AB A magnetic field detection system that uses a cobalt-coated microcantilever as the detector element is demonstrated. Three different microcantilever geometries are investigated. This research also demonstrates a novel microcantilever readout technique using a dual fiber optical readout. The cantilever sensors are shown to detect changes in current as small as 0.1 A and the ability to measures current up to 5 mm from the sensor. (C) 2003 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Goedeke, SM (reprint author), Oak Ridge Natl Lab, POB 2008,M-S 6054, Oak Ridge, TN 37831 USA. EM goedekesm@oml.gov NR 11 TC 14 Z9 14 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD APR 15 PY 2004 VL 112 IS 1 BP 32 EP 35 DI 10.1016/j.sna.2003.12.002 PG 4 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 820BQ UT WOS:000221361800005 ER PT J AU Aguirre, NM Passian, A Perez, LM Lopez-Sandoval, E Vazquez-Lopez, C Jimenez-Perez, JL Ferrell, TL AF Aguirre, NM Passian, A Perez, LM Lopez-Sandoval, E Vazquez-Lopez, C Jimenez-Perez, JL Ferrell, TL TI The use of the surface plasmons resonance sensor in the study of the influence of "allotropic" cells on water SO SENSORS AND ACTUATORS B-CHEMICAL LA English DT Article DE SPR sensor; "allotropized" water; water; dielectric function ID REFRACTIVE-INDEX; ISLAND FILMS; SPHEROIDS; PARTICLES; SUBSTRATE; SPECTRA AB A study of the dielectric function changes of water induced by a device known as "allotropic" cell is presented. Changes of the dielectric function in distilled water and ultrapure water were quantified, using surface plasmons resonance (SPR) on gold islands. An increment in the value of the dielectric function of "allotropized" water with respect to that of non-treated water was measured. Such increment is larger when water is heated and stirred during the treatment. (C) 2003 Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. CINVESTAV, IPN, Dept Fis, Mexico City 07000, DF, Mexico. CICATA, IPN, Mexico City 11500, DF, Mexico. Inst Mexicano Petr, Mexico City 07730, DF, Mexico. RP Aguirre, NM (reprint author), Oak Ridge Natl Lab, Bethel Valley Rd, Oak Ridge, TN 37831 USA. NR 24 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-4005 J9 SENSOR ACTUAT B-CHEM JI Sens. Actuator B-Chem. PD APR 15 PY 2004 VL 99 IS 1 BP 149 EP 155 DI 10.1016/S0925-4005(03)00162-X PG 7 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 820OH UT WOS:000221398700022 ER PT J AU Halthore, RN Miller, MA Ogren, JA Sheridan, PJ Slater, DW Stoffel, T AF Halthore, RN Miller, MA Ogren, JA Sheridan, PJ Slater, DW Stoffel, T TI Further developments in closure experiments for surface diffuse irradiance under cloud-free skies at a continental site SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SOLAR IRRADIANCE; THERMAL OFFSET; CLEAR; RADIATION; ABSORPTION; MODELS AB Direct and diffuse surface irradiances measured with the shaded and ventilated Black and White Eppley pyranometer under cloud-free skies at a continental site are compared with radiative transfer model calculated values. For the measurements in 2002, calculations of irradiance utilizing surface-measured aerosol single scattering albedo (SSA) agree with that measured to within the mutual uncertainties. For the days in 2001 and 2003, the modeled irradiance values agree with that measured only if highly absorbing aerosols of SSA similar to0.7, well below surface-measured SSA, are used. Modeled diffuse/direct irradiance ratios continue to exceed those measured in the visible and near-IR using silicon detector-based radiometers, suggesting problems with measurements and/or model estimates of atmospheric, most likely, aerosol, absorption. A detailed study is therefore required to establish the role of aerosol absorption in shortwave radiative transfer. C1 USN, Res Lab, Remote Sensing Div, Washington, DC 20375 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. NOAA, Climate Monitoring & Diagnost Lab, Boulder, CO 80305 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Halthore, RN (reprint author), USN, Res Lab, Remote Sensing Div, 4555 Overlook Ave SW, Washington, DC 20375 USA. EM halthore@nrl.navy.mil RI Ogren, John/M-8255-2015 OI Ogren, John/0000-0002-7895-9583 NR 19 TC 16 Z9 18 U1 1 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 14 PY 2004 VL 31 IS 7 AR L07111 DI 10.1029/2003GL019102 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 815XW UT WOS:000221076000001 ER PT J AU Marin, TW Bartels, DM Jonah, CD AF Marin, TW Bartels, DM Jonah, CD TI Evaluation of silica-coated tubing for the measurement of hydrogen peroxide in hot water SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article AB A commercial silica coating for stainless steel tubing was investigated for its ability to inhibit the decomposition of aqueous hydrogen peroxide on the tubing surface. Although the coating proves effective at preventing decomposition up to 200 degreesC, above this temperature, the coating degrades, as evidenced by enhanced decomposition of the hydrogen peroxide. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Bartels, DM (reprint author), Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA. EM bartels@hertz.rad.nd.edu RI Marin, Timothy/E-3446-2010 NR 6 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD APR 14 PY 2004 VL 43 IS 8 BP 1888 EP 1889 DI 10.1021/ie0301886 PG 2 WC Engineering, Chemical SC Engineering GA 810WC UT WOS:000220733400012 ER PT J AU White, DR Saigal, S Owen, SJ AF White, DR Saigal, S Owen, SJ TI An imprint and merge algorithm incorporating geometric tolerances for conformal meshing of misaligned assemblies SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE mesh generation; imprint; merge; conformal meshing; tolerant intersections; assembly clean-up; R-tree AB A size tolerant algorithm for imprinting and merging adjacent part geometries is presented in this paper. This approach cleans up misaligned and dirty assembly geometry that is intended for conformal mesh generation. The algorithm first discretizes the boundary edges of adjacent faces into linear segments. The segments are then intersected and a partial intersection graph is calculated from the intersection results. The intersections are calculated by accounting for size tolerances to minimize the effect of misaligned parts on the meshing process. The partial intersection graph is next used to imprint the adjacent faces as appropriate. The imprints are generated using virtual geometry so that the tolerant topology created therein can be employed. Several examples are given to demonstrate the resulting improvement in the mesh quality of conformal meshes. The approach is shown to work robustly with misaligned and poorly defined parts. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. RP White, DR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM drwhite@sandia.gov NR 21 TC 5 Z9 5 U1 0 U2 2 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 14 PY 2004 VL 59 IS 14 BP 1839 EP 1860 DI 10.1002/nme.937 PG 22 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 811PZ UT WOS:000220785100002 ER PT J AU Fluss, MJ Wirth, BD Wall, M Felter, TE Caturla, MJ Kubota, A de la Rubia, TD AF Fluss, MJ Wirth, BD Wall, M Felter, TE Caturla, MJ Kubota, A de la Rubia, TD TI Temperature-dependent defect properties from ion-irradiation in Pu(Ga) SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Pu; radiation damage; annealing; vacancies; Kondo impurity; quantum criticality ID PU-GA ALLOYS; CALCULATED LATTICE-RELAXATION; DELTA-PLUTONIUM; SELF-DIFFUSION; DEGREES K; PHASE; LOCALIZATION; ELECTRONS; ALUMINUM; LEAD AB We report the measured decrease of electrical resistivity during isochronal-annealing of ion irradiation damage accumulated at low-temperature (10 or 20 K), and the temperature dependence of the resistance of defect populations produced by low-temperature damage-accumulation and annealing in a stabilized delta-phase plutonium alloy, Pu(3.3 at.% Ga). The normalized change in resistivity is compared for a specimen that was either self-irradiated (from Pu alpha-decay and the associated uranium-recoil) or 3.8 MeV proton-irradiated with a Pelletron electrostatic accelerator. Modeling of the annealing data through combined molecular dynamics (MD) and kinetic Monte Carlo (KMC) methods describes the defect populations as a function of irradiation type and annealing temperature. It is observed that interstitial clustering is extant for the self-irradiation, but that the corresponding vacancies from the uranium damage cascade appear to be more point defect-like, as exhibited by their subsequent annealing behavior and comparison with the experimental annealing properties from the proton-irradiation. We also report the temperature dependence of the resistance of defects resulting from low-temperature damage accumulation and subsequent annealing at three temperatures: 30, 150, and 250 K. For the two defect populations dominated by vacancies and vacancy clusters (150 and 250K), we observe a temperature-dependent defect population resistance of the form -a[1n(T)] + b suggestive of a Kondo impurity. A discussion of possible causes leading to this observation and their effects, as it might relate to the nature of the delta-phase of Pu, are presented. (C) 2003 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94557 USA. RP Fluss, MJ (reprint author), Lawrence Livermore Natl Lab, POB 808,East Ave, Livermore, CA 94557 USA. EM fluss1@llnl.gov RI Caturla, Maria /D-6241-2012; Wirth, Brian/O-4878-2015 OI Caturla, Maria /0000-0002-4809-6553; Wirth, Brian/0000-0002-0395-0285 NR 44 TC 51 Z9 52 U1 2 U2 31 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 14 PY 2004 VL 368 IS 1-2 BP 62 EP 74 DI 10.1016/j.jallcom.2003.08.080 PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 809JO UT WOS:000220633200011 ER PT J AU Hawreliak, J Chambers, DM Glenzer, SH Gouveia, A Kingham, RJ Marjoribanks, RS Pinto, PA Renner, O Soundhauss, P Topping, S Wolfrum, E Young, PE Wark, JS AF Hawreliak, J Chambers, DM Glenzer, SH Gouveia, A Kingham, RJ Marjoribanks, RS Pinto, PA Renner, O Soundhauss, P Topping, S Wolfrum, E Young, PE Wark, JS TI Thomson scattering measurements of heat flow in a laser-produced plasma SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID STEEP TEMPERATURE-GRADIENTS; MASS-ABLATION RATE; ELECTRON DISTRIBUTIONS; WAVELENGTH DEPENDENCE; THERMAL CONDUCTION; FLUX INHIBITION; TRANSPORT; PRESSURE; DENSITY AB Measurements of the electron distribution and heat flow between the critical and ablation surfaces in a laser-produced plasma have been obtained using Thomson scattering. A frequency-quadrupled probe beam was used to obtain Thomson spectra at above-critical densities in a plasma produced by irradiation of solid targets with the fundamental laser light at irradiances of 3 x 10(14) W cm(-2). Comparison of Thomson spectra at the ion acoustic frequency (sensitive to the cold return current) with simulated spectra shows that the data are consistent with Fokker-Planck simulations of the electron distribution function, providing the first direct information on the electron distribution function. C1 Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ London Imperial Coll Sci Technol & Med, Plasma Phys Grp, London SW7 2BZ, England. Univ Toronto, McLennan Phys Labs, Dept Phys, Toronto, ON M5S 1A7, Canada. Acad Sci Czech Republ, Inst Phys, Prague 18221, Czech Republic. Queens Univ Belfast, Sch Math & Phys, Belfast BT7 1NN, Antrim, North Ireland. RP Hawreliak, J (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. RI Renner, Oldrich/C-1591-2010; OI Renner, Oldrich/0000-0003-4942-2637; Kingham, Robert/0000-0002-5045-0216 NR 28 TC 13 Z9 13 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 14 PY 2004 VL 37 IS 7 BP 1541 EP 1551 AR PII S0953-4075(04)75560-1 DI 10.1088/0953-4075/37/7/013 PG 11 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 815WF UT WOS:000221071700040 ER PT J AU Rapti, Z Kevrekidis, PG Smerzi, A Bishop, AR AF Rapti, Z Kevrekidis, PG Smerzi, A Bishop, AR TI Parametric and modulational instabilities of the discrete nonlinear Schrodinger equation SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article; Proceedings Paper CT International Workshop on Theory of Quantum Gases and Quantum Coherence CY JUN 12-14, 2003 CL Levico, ITALY SP European Sci Fdn ID BOSE-EINSTEIN CONDENSATE; FESHBACH RESONANCES; ARRAYS; DYNAMICS; SOLITONS; LATTICES AB We examine the parametric and modulational instabilities arising in a non-autonomous, discrete nonlinear Schrodinger equation. The principal motivation for our study stems from the dynamics of Bose-Einstein condensates trapped in a deep optical lattice. We find that under periodic variations of the heights of the interwell barriers (or equivalently of the scattering length), in addition to the modulational instability, a window of parametric instability becomes available to the system. We explore this instability through multiple-scale analysis and identify it numerically. Its principal dynamical characteristic is that, typically, it develops over much larger times than the modulational instability, a feature that is qualitatively justified by comparison of the corresponding instability growth rates. C1 Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. Ist Nazl Fis Mat, BEC, CRS, I-38050 Trento, Italy. Univ Trent, Dipartimento Fis, I-38050 Trento, Italy. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Rapti, Z (reprint author), Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. NR 41 TC 29 Z9 29 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 14 PY 2004 VL 37 IS 7 BP S257 EP S264 AR PII S0953-4075(04)71574-6 DI 10.1088/0953-4075/37/7/070 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 815WF UT WOS:000221071700022 ER PT J AU Smerzi, A Sodano, P Trombettoni, A AF Smerzi, A Sodano, P Trombettoni, A TI Finite-temperature renormalization group analysis of interaction effects in 2D lattices of Bose-Einstein condensates SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article; Proceedings Paper CT International Workshop on Theory of Quantum Gases and Quantum Coherence CY JUN 12-14, 2003 CL Levico, ITALY SP European Sci Fdn ID JOSEPHSON-JUNCTION ARRAYS; QUANTUM PHASE-TRANSITIONS; XY-MODEL; SUPERCONDUCTING FILMS; OPTICAL LATTICES; MONTE-CARLO; DYNAMICS AB By using a renormalization group analysis, we study the effect of interparticle interactions on the critical temperature T-BKT at which the Berezinskii-Kosterlitz-Thouless (BKT) transition occurs for Bose-Einstein condensates loaded at finite temperature in a 2D optical lattice. We find that TBKT decreases as the interaction energy decreases; when U/J = 36/pi one has T-BKT = 0, signalling the possibility of a quantum phase transition of BKT type. C1 Ist Nazl Fis Nucl, BEC, CRS, I-38050 Trento, Italy. Univ Trent, Dipartimento Fis, I-38050 Trento, Italy. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. Univ Perugia, Sez INFM, I-06123 Perugia, Italy. Univ Parma, INFM, I-43100 Parma, Italy. Univ Parma, Dipartimento Fis, I-43100 Parma, Italy. RP Smerzi, A (reprint author), Ist Nazl Fis Nucl, BEC, CRS, I-38050 Trento, Italy. OI Trombettoni, Andrea/0000-0002-1108-4727 NR 31 TC 3 Z9 3 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 EI 1361-6455 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 14 PY 2004 VL 37 IS 7 BP S265 EP S274 AR PII S0953-4075(04)71580-1 DI 10.1088/0953-4075/37/7/071 PG 10 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 815WF UT WOS:000221071700023 ER PT J AU Crowhurst, JC Goncharov, AF Zaug, JM AF Crowhurst, JC Goncharov, AF Zaug, JM TI Impulsive stimulated light scattering from opaque materials at high pressure SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on High Pressure Science and Technology CY JUL 07-11, 2003 CL Bordeaux, FRANCE SP AIRAPT, EHPRG ID EARTHS INNER-CORE; TRANSITION-METALS FE; GRUNEISEN-PARAMETER; ELASTIC PROPERTIES; SOUND VELOCITIES; IRON; GPA; GIGAPASCALS; SPECTROSCOPY; DENSITY AB Recent progress in the application of impulsive stimulated light scattering to opaque materials under high pressure is reviewed. Measured elastic constants and sound velocities of polycrystalline hcp epsilon-iron to 115 GPa are presented. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 28 TC 13 Z9 13 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 14 PY 2004 VL 16 IS 14 SI SI BP S1137 EP S1142 AR PII S0953-8984(04)74878-X DI 10.1088/0953-8984/16/14/023 PG 6 WC Physics, Condensed Matter SC Physics GA 819ND UT WOS:000221320800024 ER PT J AU Nellis, WJ AF Nellis, WJ TI Universal behaviour of nonmetal-metal Mott transitions in fluid H, N, O, Rb, and Cs SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on High Pressure Science and Technology CY JUL 07-11, 2003 CL Bordeaux, FRANCE SP AIRAPT, EHPRG ID GPA 1.4 MBAR; HYDROGEN; CONDUCTIVITY AB The systematics of Mott transitions in low-Z and alkali fluids H, N, O, Rb, and Cs are discussed. Such transitions have only been obtained in elemental, monatomic, and disordered systems by using high pressures and temperatures. By finding elements which undergo this transition, it is possible to test Mott's ideas in systems which are relatively simple. For fluid H, N, and O, 100 GPa pressures and similar to2000 K temperatures are required and were achieved by dynamic shock compression. For fluid Rb and Cs, 0.01 GPa and similar to2000 K are required and were achieved statically by Hensel et al. Despite the fact that these two groups of elements at ambient conditions are so different chemically and that pressures required to observe this transition differ by a factor of 1 04 for the two groups, the metallic conductivities are essentially the same for all five and the density dependences of their semiconductivities are determined systematically by the radial extents of the electronic charge-density distributions of the various atoms. The latter observation provides a physical understanding for the Herzfeld criterion of metallization. It is the tuning of both high pressure and temperature which permits these two apparently different classes of elements at ambient conditions to become quite similar in nature at extreme conditions. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Nellis, WJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 11 TC 7 Z9 7 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 14 PY 2004 VL 16 IS 14 SI SI BP S923 EP S928 AR PII S0953-8984(04)74951-6 DI 10.1088/0953-8984/16/14/001 PG 6 WC Physics, Condensed Matter SC Physics GA 819ND UT WOS:000221320800002 ER PT J AU Fu, KF Li, HP Zhou, B Kitaygorodskiy, A Allard, LF Sun, YP AF Fu, KF Li, HP Zhou, B Kitaygorodskiy, A Allard, LF Sun, YP TI Deuterium attachment to carbon nanotubes in deuterated water SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HYDROGEN STORAGE; FUNCTIONALIZATION; SOLUBILIZATION; PURIFICATION; ADSORPTION; CHEMISTRY; POLYMER; ROUTE AB A systematic investigation on the unusual attachment of labile deuterium to carbon nanotubes in deuterated water and alcohols is reported. The carbon nanotubes were solubilized through the established functionalization of the nanotube-bound carboxylic acids to allow solution-phase reaction and characterization. The deuterium attachment was found under several experimental conditions, including the use of deuterated ethanol as a co-reactant in the nanotube functionalization reaction and the refluxing of functionalized or simply purified carbon nanotubes in deuterated water and alcohols. The solubility of the functionalized carbon nanotube samples in common organic solvents and water allowed unambiguous H-2 NMR characterization. The reproducible broad H-2 NMR signal at similar to6.5 ppm is assigned to carbon nanotube-attached deuterium species. The assignment is supported by the results from FT-IR measurements. The carbon-deuterium interaction is so strong that the corresponding vibration resembles the typical C-D stretching mode in the characteristic frequency region. The FT-IR peak intensities also correlate well with the H-2 NMR signal integrations in a series of samples. Mechanistic implications of the results are discussed. C1 Clemson Univ, Howard L Hunter Chem Lab, Dept Chem, Clemson, SC 29634 USA. Clemson Univ, Howard L Hunter Chem Lab, Ctr Adv Engn Fibers & Films, Clemson, SC 29634 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Sun, YP (reprint author), Clemson Univ, Howard L Hunter Chem Lab, Dept Chem, Clemson, SC 29634 USA. EM syaping@clemson.edu RI Li, Huaping/E-1456-2011 NR 44 TC 16 Z9 17 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 14 PY 2004 VL 126 IS 14 BP 4669 EP 4675 DI 10.1021/ja030312c PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 811DJ UT WOS:000220752300053 PM 15070384 ER PT J AU Lipton, AS Heck, RW Ellis, PD AF Lipton, AS Heck, RW Ellis, PD TI Zinc solid-state NMR spectroscopy of human carbonic anhydrase: Implications for the enzymatic mechanism SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID QUANTUM CROSS-POLARIZATION; QUADRUPOLAR NUCLEI; BINDING-SITE; PROTON; COMPLEXES; RESONANCE; SPECTRA; PH AB The pH dependence of the Zn-67 solid-state nuclear magnetic resonance spectroscopy of human carbonic anhydrase (CAII) has been investigated to characterize the nature of the fourth ligand. CAII, through the Zn2+-bound hydroxide, catalyzes the deceptively simple reaction: CO2 + H2O reversible arrow HCO3- + H+. The accepted mechanism for CAII would predict that water would be bound to the Zn2+ at pH 5 and hydroxide would be bound at pH 8.5. The measured values for the electric field gradient (EFG) or quadrupole coupling constant (Cq) for CAII are independent of pH within the limits of the experimental error, i.e., 9.8 +/- 0.2 MHz. The EFG interaction has been predicted by ab initio electronic structure calculations for water and hydroxide bound to the zinc, including various levels of hydrogen bonding. After comparing the predicted Cq's with the experimental values, we conclude that the species present from pH 5-8.5 is the hydroxide form. The NMR data presented here is not consistent with the accepted mechanism for CAII. We show that the NMR data is consistent with an alternative mechanism of CAII. C1 Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Macromol Struct & Dynam Directorate, Richland, WA 99352 USA. RP Ellis, PD (reprint author), Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Macromol Struct & Dynam Directorate, Richland, WA 99352 USA. EM paul.ellis@pnl.gov FU NIBIB NIH HHS [EB002050] NR 35 TC 53 Z9 54 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 14 PY 2004 VL 126 IS 14 BP 4735 EP 4739 DI 10.1021/ja0305609 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 811DJ UT WOS:000220752300062 PM 15070393 ER PT J AU Zou, Y Ma, HX Minko, IG Shell, SM Yang, ZG Qu, YX Xu, Y Geacintov, NE Lloyd, RS AF Zou, Y Ma, HX Minko, IG Shell, SM Yang, ZG Qu, YX Xu, Y Geacintov, NE Lloyd, RS TI DNA damage recognition of mutated forms of UvrB proteins in nucleotide excision repair SO BIOCHEMISTRY LA English DT Article ID ESCHERICHIA-COLI; CRYSTAL-STRUCTURE; UVRABC NUCLEASE; THERMUS-THERMOPHILUS; INCISIONS; BINDING; ENZYME AB The DNA repair protein UvrB plays an indispensable role in the stepwise and sequential damage recognition of nucleotide excision repair in Escherichia coli. Our previous studies suggested that UvrB is responsible for the chemical damage recognition only upon a strand opening mediated by UvrA. Difficulties were encountered in studying the direct interaction of UvrB with adducts due to the presence of UvrA. We report herein that a single point mutation of Y95W in which a tyrosine is replaced by a tryptophan results in an UvrB mutant that is capable of efficiently binding to structure-specific DNA adducts even in the absence of UvrA. This mutant is fully functional in the UvrABC incisions. The dissociation constant for the mutant-DNA adduct interaction was less than 100 nM at physiological temperatures as determined by fluorescence spectroscopy. In contrast, similar substitutions at other residues in the beta-hairpin with tryptophan or phenylalanine do not confer UvrB such binding ability. Homology modeling of the structure of E. coli UvrB shows that the aromatic ring of residue Y95 and only Y95 directly points into the DNA binding cleft. We have also examined UvrB recognition of both "normal" bulky BPDE-DNA and protein-cross-linked DNA (DPC) adducts and the roles of aromatic residues of the beta-hairpin in the recognition of these lesions. A mutation of Y92W resulted in an obvious decrease in the efficiency of UvrABC incisions of normal adducts, while the incision of the DPC adduct is dramatically increased. Our results suggest that Y92 may function differently with these two types of adducts, while the Y95 residue plays an unique role in stabilizing the interaction of UvrB with DNA damage, most likely by a hydrophobic stacking. C1 E Tennessee State Univ, James H Quillen Coll Med, Dept Biochem & Mol Biol, Johnson City, TN 37614 USA. Univ Texas, Med Branch, Sealy Ctr Mol Sci, Galveston, TX 77555 USA. Oak Ridge Natl Lab, Div Life Sci, Prot Informat Grp, Oak Ridge, TN 37830 USA. NYU, Dept Chem, New York, NY 10003 USA. RP Zou, Y (reprint author), E Tennessee State Univ, James H Quillen Coll Med, Dept Biochem & Mol Biol, Johnson City, TN 37614 USA. EM zouy@etsu.edu FU NCI NIH HHS [CA106858, CA86927, R01 CA086927]; NIEHS NIH HHS [ES05355] NR 23 TC 23 Z9 23 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 13 PY 2004 VL 43 IS 14 BP 4196 EP 4205 DI 10.1021/bi035992a PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 810AK UT WOS:000220677000017 PM 15065863 ER PT J AU Chen, BW Squier, TC Bigelow, DJ AF Chen, BW Squier, TC Bigelow, DJ TI Calcium activation of the Ca-ATPase enhances conformational heterogeneity between nucleotide binding and phosphorylation domains SO BIOCHEMISTRY LA English DT Article ID SARCOPLASMIC-RETICULUM MEMBRANES; RESONANCE ENERGY-TRANSFER; ADENOSINE-TRIPHOSPHATASE; ROTATIONAL-DYNAMICS; POLYPEPTIDE-CHAINS; ESCHERICHIA-COLI; STEADY-STATE; FLUORESCENCE; PROTEIN; PUMP AB High-resolution crystal structures obtained in two conformations of the Ca-ATPase suggest that a large-scale rigid-body domain reorientation of approximately 50degrees involving the nucleotide-binding (N) domain is required to permit the transfer of the gamma-phosphoryl group of ATP to Asp(351) in the phosphorylation (P) domain during coupled calcium transport. However, variability observed in the orientations of the N domain relative to the P domain in the different crystal structures of the Ca-ATPase following calcium activation and the structures of other P-type ATPases suggests the presence of conformational heterogeneity in solution, which may be modulated by contact interactions within the crystal. Therefore, to address the extent of conformational heterogeneity between these domains in solution, we have used fluorescence resonance energy transfer to measure the spatial separation and conformational heterogeneity between donor (i.e., 5-[[2-[(iodoacetyl)amino]ethyl]amino]naphthalene-1-sulfonic acid) and acceptor (i.e., fluorescein 5-isothiocyanate) chromophores covalently bound to the P and N domains, respectively, within the Ca-ATPase stabilized in different enzymatic states associated with the transport cycle. In comparison to the unliganded enzyme, the spatial separation and conformational heterogeneity between these domains are unaffected by enzyme phosphorylation. However, calcium activation results in a 3.4 Angstrom increase in the average spatial separation, from 29.4 to 32.8 Angstrom, in good agreement with the 4.3 A increase in the distance estimated from high-resolution structures where these sites are respectively separated by 31.6 Angstrom (1IWO.pdb) and 35.9 Angstrom (1EUL.pdb). Thus, the crystal structures accurately reflect the average solution structures of the Ca-ATPase. These results suggest that the approximation of cytoplasmic domains accompanying calcium transport, as observed from crystal structures, occurs in solution within the context of large amplitude domain motions important for catalysis. We suggest that these domain motions enhance the rates of substrate (ATP) access and product (ADP) egress and the probability of a productive juxtaposition of the gamma-phosphoryl moiety of ATP with Asp(351) on the phosphorylation domain to facilitate enzyme phosphorylation and calcium transport. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Div Biol Sci, Cell Biol Grp, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Fundamental Sci Directorate, Div Biol Sci, Cell Biol Grp, POB 999, Richland, WA 99352 USA. EM diana.bigelow@pnl.gov FU NHLBI NIH HHS [HL64031] NR 73 TC 9 Z9 9 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 13 PY 2004 VL 43 IS 14 BP 4366 EP 4374 DI 10.1021/bi0356350 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 810AK UT WOS:000220677000035 PM 15065881 ER PT J AU Benkoski, JJ Kramer, EJ Yim, H Kent, MS Hall, J AF Benkoski, JJ Kramer, EJ Yim, H Kent, MS Hall, J TI The effects of network structure on the resistance of silane coupling agent layers to water-assisted crack growth SO LANGMUIR LA English DT Article ID LANGMUIR-BLODGETT MONOLAYERS; SELF-ASSEMBLED MONOLAYERS; ADSORBED MONOLAYERS; FILMS; GLASS; SURFACE; SPECTROSCOPY; INTERFACES; WETTABILITY; PROPAGATION AB Silane adhesion promoters are commonly used to improve the adhesion, durability, and corrosion resistance of polymer-oxide interfaces. The current study investigates a model interface consisting of the natural oxide of (100) Si and an epoxy cured from diglycidyl ether of bisphenol A (DGEBA) and triethylenetetraamine (TETA). The thickness of (3-glycidoxypropyl)trimethoxysilane (GPS) films placed between the two materials provided the structural variable. Five surface treatments were investigated: a bare interface, a rough monolayer film, a smooth monolayer film, a 5 nm thick film, and a 10 nm thick film. Previous neutron reflection experiments revealed large extension ratios (>2) when the 5 and 10 nm thick GPS films were exposed to deuterated nitrobenzene vapor. Despite the larger extension ratio for the 5 nm thick film, the epoxy/Si fracture energy (G(m)) was equal to that of the 10 nm thick film under ambient conditions. Even the smooth monolayer exhibited the same G,. Only when the monolayer included a significant number of agglomerates did the G, drop to levels closer to that of the bare interface. When immersed in water at room temperature for 1 week, the threshold energy release rate (G(th)) was nearly equal to G, for the smooth monolayer, 5 nm thick film, and 10 nm thick film. While the Gth for all three films decreased with increasing water temperature, the Gth of the smooth monolayer decreased more rapidly. The bare interface was similarly sensitive to temperature; however, the Gth of the rough monolayer did not change significantly as the temperature was raised. Despite the influence of pH on hydrolysis, the Gth was insensitive to the pH of the water for all surface treatments. C1 Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. Sandia Natl Labs, Dept 1811, Albuquerque, NM 87185 USA. RP Kramer, EJ (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. NR 46 TC 28 Z9 28 U1 3 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 13 PY 2004 VL 20 IS 8 BP 3246 EP 3258 DI 10.1021/la035920k PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 811CP UT WOS:000220750300037 PM 15875854 ER PT J AU Wu, J Walukiewicz, W Li, SX Armitage, R Ho, JC Weber, ER Haller, EE Lu, H Schaff, WJ Barcz, A Jakiela, R AF Wu, J Walukiewicz, W Li, SX Armitage, R Ho, JC Weber, ER Haller, EE Lu, H Schaff, WJ Barcz, A Jakiela, R TI Effects of electron concentration on the optical absorption edge of InN SO APPLIED PHYSICS LETTERS LA English DT Article ID FUNDAMENTAL-BAND GAP; ATOMIC LAYER EPITAXY; INDIUM NITRIDE; FILMS; DONOR AB InN films with free electron concentrations ranging from mid-10(17) to mid-10(20) cm(-3) have been studied using optical absorption, Hall effect, and secondary ion mass spectrometry. The optical absorption edge covers a wide energy range from the intrinsic band gap of InN of about 0.7 to about 1.7 eV which is close to the previously accepted band gap of InN. The electron concentration dependence of the optical absorption edge energy is fully accounted for by the Burstein-Moss shift. Results of secondary ion mass spectrometry measurements indicate that O and H impurities cannot fully account for the free electron concentration in the films. (C) 2004 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Cornell Univ, Dept Elect & Comp Engn, Ithaca, NY 14853 USA. Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. RP Walukiewicz, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM w_walukiewicz@lbl.gov RI Wu, Junqiao/G-7840-2011; Ho, Johnny/K-5275-2012; Jakiela, Rafal/A-2206-2015 OI Wu, Junqiao/0000-0002-1498-0148; Ho, Johnny/0000-0003-3000-8794; Jakiela, Rafal/0000-0002-4984-1519 NR 22 TC 170 Z9 173 U1 1 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 12 PY 2004 VL 84 IS 15 BP 2805 EP 2807 DI 10.1063/1.1704853 PG 3 WC Physics, Applied SC Physics GA 810UB UT WOS:000220728100029 ER PT J AU Chen, XD Sullivan, JP Friedmann, TA Gibson, JM AF Chen, XD Sullivan, JP Friedmann, TA Gibson, JM TI Fluctuation microscopy studies of medium-range ordering in amorphous diamond-like carbon films SO APPLIED PHYSICS LETTERS LA English DT Article ID THERMAL-STABILITY; DEPOSITION; ENERGY AB In this letter, we report fluctuation microscopy studies of medium-range ordering in amorphous diamond-like carbon films and the effect of annealing on this ordering. Annealed and unannealed diamond-like carbon films have almost identical short-range order. Our fluctuation microscopy results, however, indicate the presence of medium range order or clustering in the films on a lateral length scale that exceeds 1 nm. Within the clustered regions, the dominant local ordering appears to be diamond-like, and graphite-like ordering is not observed. Thermal annealing up to 600degreesC leads to an increase in diamond-like clustering with no onset of graphite-like clustering. However, after high temperature annealing up to 1000degreesC, graphite-like clustering becomes apparent as a result of the conversion of diamond-like carbon to graphite-like carbon. The results on the as-deposited films and films annealed up to 600degreesC suggest that a spontaneous medium range ordering process occurs in diamond-like carbon films during and subsequent to film growth, and this may play an important role in stress relaxation. (C) 2004 American Institute of Physics. C1 Cedarville Univ, Cedarville, OH 45314 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Sandia Natl Labs, Nanostruct & Semicond Phys Dept, Albuquerque, NM 87185 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chen, XD (reprint author), Cedarville Univ, Cedarville, OH 45314 USA. EM chenx@cedarville.edu RI Gibson, Murray/E-5855-2013 OI Gibson, Murray/0000-0002-0807-6224 NR 17 TC 31 Z9 31 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 12 PY 2004 VL 84 IS 15 BP 2823 EP 2825 DI 10.1063/1.1713048 PG 3 WC Physics, Applied SC Physics GA 810UB UT WOS:000220728100035 ER PT J AU Sauer, K Yachandra, VK AF Sauer, K Yachandra, VK TI The water-oxidation complex in photosynthesis SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Review DE photosystem II; oxygen-evolving complex; EXAFS; XANES; EPR; S-state; oxygen evolution ID OXYGEN-EVOLVING COMPLEX; PARAMAGNETIC-RESONANCE SIGNAL; RAY-ABSORPTION SPECTROSCOPY; MULTILINE EPR SIGNAL; AMINO-ACID-RESIDUES; PHOTOSYSTEM-II; MANGANESE CLUSTER; MN CLUSTER; SPINACH-CHLOROPLASTS; S-0 STATE AB Studies of the photosynthetic water-oxidation complex of photosystem II (PS II) using spectroscopic techniques have characterized not only important structural features, but also changes that occur in oxidation state of the Mitt cluster and in its internal organization during the accumulation of oxidizing equivalents leading to 02 formation. Combining this spectroscopic information with that from the recently published relatively low-resolution X-ray diffraction studies, we have succeeded in limiting the range of likely cluster arrangements. This evidence strongly supports several options proposed earlier by DeRose et al. [J. Am. Chem. Soc. 116 (1994) 5239] and these can be further narrowed using compatibility with electron paramagnetic resonance (EPR) data. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Melvin Calvin Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Sauer, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Melvin Calvin Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM KHSauer@LBL.GOV; VKYachandra@LBL.GOV RI ID, BioCAT/D-2459-2012 FU NIGMS NIH HHS [GM 55302, R01 GM055302, R56 GM055302] NR 64 TC 53 Z9 54 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD APR 12 PY 2004 VL 1655 IS 1-3 BP 140 EP 148 DI 10.1016/j.bbabio.2003.07.004 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 815ZD UT WOS:000221079300016 PM 15100026 ER PT J AU Britt, RD Campbell, KA Peloquin, JM Gilchrist, ML Aznar, CP Dicus, MM Robblee, J Messinger, J AF Britt, RD Campbell, KA Peloquin, JM Gilchrist, ML Aznar, CP Dicus, MM Robblee, J Messinger, J TI Recent pulsed EPR studies of the Photosystem II oxygen-evolving complex: implications as to water oxidation mechanisms SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Review DE ENDOR; ESEEM; multiline EPR signal; S-0-state substrate water binding ID PARAMAGNETIC-RESONANCE SIGNAL; RAY-ABSORPTION SPECTROSCOPY; MANGANESE CLUSTER; OXIDIZING COMPLEX; MULTILINE SIGNAL; MN CLUSTER; S-0 STATE; SYNECHOCOCCUS-ELONGATUS; SPINACH-CHLOROPLASTS; CRYSTAL-STRUCTURE AB The pulsed electron paramagnetic resonance (EPR) methods of electron spin echo envelope modulation (ESEEM) and electron spill echo-electron nuclear double resonance (ESE-ENDOR) are used to investigate the structure of the Photosystem II oxygen-evolving complex (OEC), including the paramagnetic manganese cluster and its immediate surroundings. Recent unpublished results from the pulsed EPR laboratory at UC-Davis are discussed, along with aspects of recent publications, with a focus on substrate and cofactor interactions. New data on the proximity of exchangeable deuterons around the Mn cluster poised in the So-state are presented and interpreted. These pulsed EPR results are used in an evaluation of several recently proposed mechanisms for PSII water oxidation. We strongly favor mechanistic models where the substrate waters bind within the OEC early in the S-state cycle. Models in which the O-O bond is formed by a nucleophilic attack by a Ca2+-bound water on a strong S-4-state electrophile provide a good match to the pulsed EPR data. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Melvin Calvin Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Britt, RD (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. EM rdbritt@ucdavis.edu FU NIGMS NIH HHS [GM48242] NR 67 TC 155 Z9 158 U1 3 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD APR 12 PY 2004 VL 1655 IS 1-3 BP 158 EP 171 DI 10.1016/j.bbabio.2003.11.009 PG 14 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 815ZD UT WOS:000221079300018 PM 15100028 ER PT J AU McMahon, BH Fabian, M Tomson, F Causgrove, TP Bailey, JA Rein, FN Dyer, RB Palmer, G Gennis, RB Woodruff, WH AF McMahon, BH Fabian, M Tomson, F Causgrove, TP Bailey, JA Rein, FN Dyer, RB Palmer, G Gennis, RB Woodruff, WH TI FTIR studies of internal proton transfer reactions linked to inter-heme electron transfer in bovine cytochrome c oxidase SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Review DE FTIR; cytochrome oxidase; glutamate; mixed-valence ID QUANTITATIVE IR SPECTROPHOTOMETRY; WATER H2O SOLUTIONS; MIXED-VALENCE FORM; PARACOCCUS-DENITRIFICANS; ESCHERICHIA-COLI; RHODOBACTER-SPHAEROIDES; DIFFERENCE SPECTROSCOPY; STRUCTURAL-CHANGES; CONFORMATIONAL-CHANGES; INFRARED-SPECTROSCOPY AB FTIR difference spectroscopy is used to reveal changes in the internal structure and amino acid protonation states of bovine cytochrome c oxidase (CcO) that occur upon photolysis of the CO adduct of the two-electron reduced (mixed valence, MV) and four-electron reduced (fully reduced. FR) forms of the enzyme. FTIR difference spectra were obtained in D2O (pH 6-9.3) between the MV-CO adduct (heme a(3) and Cu-B reduced; heme a and Cu-A oxidized) and a photostationary state in which the MV-CO enzyme is photodissociated under constant illumination. In the photostationary state, part of the enzyme population has heme a(3) oxidized and heme a reduced. In MV-CO, the frequency of the stretch mode of CO bound to ferrous heme a(3) decreases from 1965.3 cm(-1) at pH* less than or equal to 7 to 1963.7 cm(-1) at pH* 9.3. In the CO adduct of the fully reduced enzyme (FR-CO), the CO stretching frequency is observed at 1963.46 +/- 0.05 cm(-1), independent of pH. This indicates that in MV-CO there is a group proximal to heme a that deprotonates with a pK(a) of about 8.3, but that remains protonated over the entire pH* range 6-9.3 in FR-CO. The pK(a) of this group is therefore strongly coupled to the redox state of heme a. Following photodissociation of CO from heme a(3) in MV oxidases. the extent of electron transfer from heme a(3) to heme a shows a pH-dependent phase between pH 7 and 9, and a pH-independent phase at all pH's. The FTIR difference spectrum resulting from photolysis of MV-CO exhibits vibrational features of the protein backbone and side chains associated with (1) the loss of CO by the a(3) heme in the absence of electron transfer, (2) the pH-independent phase of the electron transfer, and (3) the pH-dependent phase of the electron transfer. Many infrared features change intensity or frequency during both electron transfer phases and thus appear as positive or negative features in the difference spectra. In particular, a negative band at 1735 cm(-1) and a positive band at 1412 cm(-1) are consistent with the deprotonation of the acidic residue E242. Positive features at 1552 and 1661 cm(-1) are due to amide backbone modes. Other positive and negative features between 1600 and 1700 cm(-1) are consistent with redox-induced shifts in heme formyl vibrations, and the redox-linked protonation of an arginine residue, accompanying electron transfer from heme a(3) to heme a. An arginine could be the residue responsible for the pH-dependent shift in the carbonyl frequency of MV-CO. Specific possibilities as to the functional significance of these observations are discussed. (C) 2004 Published by Elsevier B.V. C1 Los Alamos Natl Lab, Div Chem, Biosci Div, Michelson Res, Los Alamos, NM 87545 USA. Rice Univ, Dept Biochem, Houston, TX 77005 USA. Univ Illinois, Dept Biochem, Urbana, IL 61801 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Biosci Div, Michelson Res, Los Alamos, NM 87545 USA. RP Woodruff, WH (reprint author), Los Alamos Natl Lab, Div Chem, Biosci Div, Michelson Res, POB 1663, Los Alamos, NM 87545 USA. EM woody@lanl.gov FU NHLBI NIH HHS [HL 16101]; NIDDK NIH HHS [DK36263]; NIGMS NIH HHS [GM 55807, P01 GM068036] NR 71 TC 38 Z9 39 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD APR 12 PY 2004 VL 1655 IS 1-3 BP 321 EP 331 DI 10.1016/j.bbabio.2004.01.007 PG 11 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 815ZD UT WOS:000221079300037 PM 15100047 ER PT J AU Vilim, RB Cunningham, RM Lu, B Kheradpour, P Stevens, FJ AF Vilim, RB Cunningham, RM Lu, B Kheradpour, P Stevens, FJ TI Fold-specific substitution matrices for protein classification SO BIOINFORMATICS LA English DT Article ID SEQUENCE; FAMILIES; ALIGNMENTS; SELECTION; DATABASE AB Motivation: Methods that focus on secondary structures, such as Position Specific Scoring Matrices and Hidden Markov Models, have proved useful for assigning proteins to families. However, for assigning proteins to an attribute class within a family these methods may introduce more free parameters than are needed. There are fewer members and there is less variability among sequences within a family. We describe a method for organizing proteins in a family that exhibits up to an order of magnitude reduction in the number of parameters. The basis is the log odds ratio commonly used to measure similarity. We adapt this to characterize the sequence dissimilarities that give rise to attribute differentiation. This leads to the definition of Class Attribute Substitution Matrices (CLASSUM), a dual of the BLOSUM. Results: The method was applied to classify sequences hierarchically in the lambda and kappa subgroups of the immunoglobulin superfamily. Positions conferring class were identified based on the degree of amino acid variability at a position. The CLASSUM computed for these positions classified better than 90% of test data correctly compared with 35-50% for BLOSUM-62. The expected value for a random matrix is 14%. The results suggest that family-specific data-derived substitution matrices can improve the resolution of automated methods that use generic substitution matrices for searching for and classifying proteins. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Cincinnati, Dept Comp Engn, Cincinnati, OH 45221 USA. Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. RP Vilim, RB (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rvilim@anl.gov NR 29 TC 10 Z9 10 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD APR 12 PY 2004 VL 20 IS 6 BP 847 EP 853 DI 10.1093/bioinformatics/btg492 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 813GH UT WOS:000220895100005 PM 14764567 ER PT J AU Jeong, HK Skomski, R Waldfried, C Komesu, T Dowben, PA Vescovo, E AF Jeong, HK Skomski, R Waldfried, C Komesu, T Dowben, PA Vescovo, E TI The effective spin dependent Debye temperature of Gd(0001) SO PHYSICS LETTERS A LA English DT Article DE surface Debye temperature; rare earth; lattice vibrations and electron-phonon interaction ID LOCAL-BAND THEORY; ELECTRONIC-STRUCTURE; SURFACE-STATE; ITINERANT FERROMAGNETISM; RESOLVED-PHOTOEMISSION; MOMENT SYSTEM; GADOLINIUM; SPECTROSCOPY; SCATTERING; MAGNETISM AB The collective vibrational motions along the surface normal direction of the expansively strained Gd(0001) surface has been investigated. The effective Debye temperature, indicative of the dynamic motion of lattice normal to the surface, is 137+/-35 K from X-ray photoemission. With angle-resolved spin polarized photoemission spectroscopy, the Debye temperature is determined to be 79 +/- 35 K in spin majority, and 125 +/- 35 K for spin minority. Residual spin-mixing contributions to bands with Stoner like behavior as well as contributions from the spin dependent plasmon modes for Gd(0001) are implicated. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. Univ Nebraska, Beheln Lab, Ctr Mat Res & Anal, Lincoln, NE 68588 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. RP Dowben, PA (reprint author), Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. EM pdowben@unl.edu NR 37 TC 3 Z9 3 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 J9 PHYS LETT A JI Phys. Lett. A PD APR 12 PY 2004 VL 324 IS 2-3 BP 242 EP 246 DI 10.1016/J.PHYSLETA.2004.02.071 PG 5 WC Physics, Multidisciplinary SC Physics GA 812KL UT WOS:000220838300022 ER PT J AU Abe, M Yanai, T Nakajima, T Hirao, K AF Abe, M Yanai, T Nakajima, T Hirao, K TI A four-index transformation in Dirac's four-component relativistic theory SO CHEMICAL PHYSICS LETTERS LA English DT Article ID GAUSSIAN-BASIS SETS; CONSISTENT-FIELD CALCULATIONS; BERYLLIUM ATOM; ELECTRON; SYSTEMS; IMPLEMENTATION; ALGORITHM; CHEMISTRY; INTEGRALS; ELEMENTS AB An efficient integral transformation program based on the four-component spinors resulting from the Dirac-Hartree-Fock (DHF) method is implemented in the REL4D program. By adopting generally contracted spherical harmonic Gaussian-type spinors, the small-component basis functions are almost half as many as the basis expansion with the decoupled scalar spin orbitals. This advantage is exploited to enhance the efficiency in the integral transformation. The present integral transformation program is 4-8 times faster than the pioneering programs of MOLFDIR and DIRAC. As an illustrative example, the CCSD and CCSD(T) methods are successfully applied to the ground state of thallium hydride. (C) 2004 Published by Elsevier B.V. C1 Univ Tokyo, Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Japan Sci & Technol Agcy, JST, PRESTO, Kawaguchi, Saitama, Japan. RP Nakajima, T (reprint author), Univ Tokyo, Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan. EM nakajima@t.u-tokyo.ac.jp RI Hirao, Kimihiko/N-5483-2015 NR 35 TC 20 Z9 20 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 11 PY 2004 VL 388 IS 1-3 BP 68 EP 73 DI 10.1016/j.cplett.2004.02.030 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 810TQ UT WOS:000220727000015 ER PT J AU Broderick, A Blandford, R AF Broderick, A Blandford, R TI Covariant magnetoionic theory - II. Radiative transfer SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE black hole physics; magnetic fields; plasmas; polarization; radiative transfer ID ABSORBED SYNCHROTRON SOURCES; PULSAR MAGNETOSPHERES; POLARIZED RADIATION; WAVE-PROPAGATION; NEUTRON-STARS; REFRACTION; MORPHOLOGY AB Accretion on to compact objects plays a central role in high-energy astrophysics. In these environments, both general relativistic and plasma effects may have significant impacts upon the spectral and polarimetric properties of the accretion flow. In Paper I we presented a fully general relativistic magnetoionic theory, capable of tracing rays in the geometric optics approximation through a magnetized plasma in the vicinity of a compact object. In this paper we discuss how to perform polarized radiative transfer along these rays. In addition we apply the formalism to a barotropic thick-disc model, appropriate for low-luminosity active galactic nuclei. We find that, when the observation frequency is near the plasma and cyclotron frequencies in the innermost portions of the accretion flow, it is possible to generate large fractional polarizations, even when the emission mechanism is unpolarized. This has implications for accreting systems ranging from pulsars and X-ray binaries to active galactic nuclei. C1 CALTECH, Pasadena, CA 91125 USA. SLAC, KIPAC, Menlo Pk, CA 94025 USA. RP Broderick, A (reprint author), CALTECH, MC 130-33, Pasadena, CA 91125 USA. EM aeb@tapir.caltech.edu NR 27 TC 32 Z9 32 U1 0 U2 1 PU BLACKWELL PUBLISHING LTD PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR 11 PY 2004 VL 349 IS 3 BP 994 EP 1008 DI 10.1111/j.1365-2966.2004.07582.x PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 812OB UT WOS:000220847700022 ER PT J AU Barish, KN Botelho, S Chang, WC Dietzsch, O Franz, A Fung, SY Kotchenda, L Kotchetkov, D Kravtsov, P Lebedev, A Li, XH Mahon, J Mioduszewski, S Muniruzzaman, M Nandi, B O'Brien, E Pisani, RP Rosati, M Seto, R Silva, CL Takagui, EM Xie, W Zong, X AF Barish, KN Botelho, S Chang, WC Dietzsch, O Franz, A Fung, SY Kotchenda, L Kotchetkov, D Kravtsov, P Lebedev, A Li, XH Mahon, J Mioduszewski, S Muniruzzaman, M Nandi, B O'Brien, E Pisani, RP Rosati, M Seto, R Silva, CL Takagui, EM Xie, W Zong, X TI TEC/TRD for the PHENIX experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 2nd Workshop on Advanced Transition Radiation Detectors for Accelerator and Space Applications CY SEP 04-07, 2003 CL Bari, ITALY DE multi-wire chambers; ionization loss; transition radiation; xenon recovery system ID DETECTORS AB The TEC/TRD is a set of large mufti-wire tracking chambers in the PHENIX experiment with fiber radiators in front of the tracking volume. It provides charged-particle pattern recognition, momentum measurement and particle identification through determinations of both ionization energy loss (dE/dx) and associated transition radiation (TR) photons. A custom front-end electronics is instrumented with a dual-gain system to read out the dE/dx and the TR events. A recirculating gas system for the Xe-based mixture is developed. The device will be fully operational starting in December 2003. It will provide e/pi separation with momenta ranging from 0.25 to 50 GeV/c. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Calif Riverside, Riverside, CA 92521 USA. Univ Sao Paulo, Sao Paulo, Brazil. Acad Sinica, Taipei 11529, Taiwan. Brookhaven Natl Lab, Upton, NY 11973 USA. Petersburg Nucl Phys Inst, Gatchina, Russia. Iowa State Univ Sci & Technol, Ames, IA 50011 USA. RP Li, XH (reprint author), Univ Calif Riverside, Riverside, CA 92521 USA. EM lixh@rcf2.rhic.bnl.gov NR 7 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 11 PY 2004 VL 522 IS 1-2 BP 56 EP 61 DI 10.1016/j.nima.2004.01.018 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 812DC UT WOS:000220819200013 ER PT J AU Nevski, P AF Nevski, P TI Advances in the simulation of Transition Radiation Detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 2nd Workshop on Advanced Transition Radiation Detectors for Accelerator and Space Applications CY SEP 04-07, 2003 CL Bari, ITALY DE TRD; Monte Carlo; full simulation; transition radiation ID PERIODIC RADIATORS; EMISSION AB Different techniques used to simulate the behaviour of the Transition Radiation Detectors are discussed. (C) 2003 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Nevski, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM pavel.nevski@cern.ch RI Nevski, Pavel/M-6292-2015 NR 14 TC 3 Z9 3 U1 2 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 11 PY 2004 VL 522 IS 1-2 BP 116 EP 121 DI 10.1016/j.nima.2004.01.030 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 812DC UT WOS:000220819200025 ER PT J AU O'Connor, P AF O'Connor, P TI Analog front ends for highly segmented detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 2nd Workshop on Advanced Transition Radiation Detectors for Accelerator and Space Applications CY SEP 04-07, 2003 CL Bari, ITALY DE charge-sensitive amplifiers; CMOS; pixel detectors ID ACTIVE PIXEL SENSORS; LINEAR COLLIDER; OPERATION AB The evolution of analog front end ASICs is being driven by the increasing interest in fine-grained detectors and by rapid reduction in transistor feature size. Existing and proposed 2D pad and pixel detectors are moving towards higher segmentation in order to increase position resolution and/or signal-to-noise ratio. As pixel density increases above 10(4) pixels/cm(2), the power dissipation of the front-end ASIC becomes a serious constraint. We discuss the power-constrained noise optimization of ASIC front ends in scaled CMOS technology. Published by Elsevier B.V. C1 Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP O'Connor, P (reprint author), Brookhaven Natl Lab, Instrumentat Div, Bldg 535b, Upton, NY 11973 USA. EM poc@bnl.gov NR 21 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 11 PY 2004 VL 522 IS 1-2 BP 126 EP 130 DI 10.1016/j.nima.2004.01.032 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 812DC UT WOS:000220819200027 ER PT J AU Dijkstra, M Lidz, A Hui, L AF Dijkstra, M Lidz, A Hui, L TI Beyond Ly alpha: Constraints and consistency tests from the Ly beta forest SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : theory; intergalactic medium; large-scale structure of universe; quasars : absorption lines ID PHOTOIONIZED INTERGALACTIC MEDIUM; EQUATION-OF-STATE; POWER SPECTRUM; HIGH-REDSHIFT; LINEAR POWER; EVOLUTION; MATTER; REIONIZATION; MODEL; Z-SIMILAR-TO-6 AB Absorption between the rest-frame wavelengths of 973 and 1026 8 in quasar spectra arises from two sources ( apart from occasional metals): one is due to Lyalpha absorption by materials at a low redshift, and the other is from Lybeta at a higher redshift. These two sources of absorption are to a good approximation uncorrelated because of their wide physical separation. Therefore, the two-point correlation of absorption in this region of quasar spectra neatly factorizes into two pieces: the Lybeta correlation at high-z and the Lyalpha correlation at low-z. The latter can be independently measured from quasar spectra at lower redshifts using current techniques. A simple division then offers a way to statistically separate out the Lybeta two-point correlation from the Lyalpha correlation. Several applications of this technique are discussed. First, since the Lybeta absorption cross section is lower than Lyalpha by about a factor of 5, the Lybeta forest is a better probe of the intergalactic medium (IGM) at higher redshifts, where Lyalpha absorption is often saturated. Second, for the same reason, the Lybeta forest allows a better measurement of the equation of state of the IGM at higher overdensities, yielding stronger constraints on its slope when used in conjunction with the Lyalpha forest. Third, models of the Lyalpha forest based on gravitational instability make unique predictions for the Lybeta forest, which can be tested against observations. We briefly point out that feedback processes, which affect higher density regions but leave low-density structure intact, may be better constrained by the Lybeta forest. Finally, extending our technique to the higher Lyman series is, in principle, possible but becomes increasingly difficult because of diminishing path lengths. C1 Columbia Univ, Dept Astron, New York, NY 10027 USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Dijkstra, M (reprint author), Columbia Univ, Dept Astron, New York, NY 10027 USA. EM mark@astro.columbia.edu; lidz@astro.columbia.edu; lhui@fnal.gov NR 46 TC 13 Z9 13 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2004 VL 605 IS 1 BP 7 EP 13 DI 10.1086/382199 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WJ UT WOS:000220801700002 ER PT J AU Oguri, M Inada, N Keeton, CR Pindor, B Hennawi, JF Gregg, MD Becker, RH Chiu, K Suto, Y Turner, EL Annis, J Bahcall, NA Brinkmann, J Castander, FJ Eisenstein, DJ Frieman, JA Goto, T Gunn, JE Johnston, DE Kent, SM Nichol, RC Richards, GT Rix, HW Schneider, DP Sheldon, ES Szalay, AS AF Oguri, M Inada, N Keeton, CR Pindor, B Hennawi, JF Gregg, MD Becker, RH Chiu, K Suto, Y Turner, EL Annis, J Bahcall, NA Brinkmann, J Castander, FJ Eisenstein, DJ Frieman, JA Goto, T Gunn, JE Johnston, DE Kent, SM Nichol, RC Richards, GT Rix, HW Schneider, DP Sheldon, ES Szalay, AS TI Observations and theoretical implications of the large-separation lensed quasar SDSS J1004+4112 SO ASTROPHYSICAL JOURNAL LA English DT Review DE cosmology : observations; cosmology : theory; dark matter; galaxies : clusters : general; gravitational lensing; quasars : general; quasars : individual (SDSS J100434.91+411242.8) ID DIGITAL SKY SURVEY; COLD DARK-MATTER; EARLY-TYPE GALAXIES; GRAVITATIONAL LENSING STATISTICS; HUBBLE-SPACE-TELESCOPE; EARLY DATA RELEASE; COSMOLOGICAL PARAMETERS; DENSITY PROFILE; ANGULAR SEPARATIONS; LUMINOSITY FUNCTION AB We study the recently discovered gravitational lens SDSS J1004+ 4112, the first quasar lensed by a cluster of galaxies. It consists of four images with a maximum separation of 14."62. The system was selected from the photometric data of the Sloan Digital Sky Survey (SDSS) and has been confirmed as a lensed quasar at z = 1.734 on the basis of deep imaging and spectroscopic follow-up observations. We present color-magnitude relations for galaxies near the lens plus spectroscopy of three central cluster members, which unambiguously confirm that a cluster at z = 0.68 is responsible for the large image separation. We find a wide range of lens models consistent with the data, and despite considerable diversity they suggest four general conclusions: ( 1) the brightest cluster galaxy and the center of the cluster potential well appear to be offset by several kiloparsecs; (2) the cluster mass distribution must be elongated in the north-south direction, which is consistent with the observed distribution of cluster galaxies; (3) the inference of a large tidal shear (similar to0.2) suggests significant substructure in the cluster; and (4) enormous uncertainty in the predicted time delays between the images means that measuring the delays would greatly improve constraints on the models. We also compute the probability of such large-separation lensing in the SDSS quasar sample on the basis of the cold dark matter model. The lack of large-separation lenses in previous surveys and the discovery of one in SDSS together imply a mass fluctuation normalization sigma(8) = 1.0(-0.2)(+0.4) (95% confidence) if cluster dark matter halos have an inner density profile rho proportional to r(-1.5). Shallower profiles would require higher values of sigma(8). Although the statistical conclusion might be somewhat dependent on the degree of the complexity of the lens potential, the discovery of SDSS J1004+ 4112 is consistent with the predictions of the abundance of cluster-scale halos in the cold dark matter scenario. C1 Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Natl Astron Observ, Tokyo 1818588, Japan. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Apache Point Observ, Sunspot, NM 88349 USA. CSIC, Inst Estud Espacials Catalunya, ES-08034 Barcelona, Spain. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Tokyo, Dept Astron, Bunkyo Ku, Tokyo 1130033, Japan. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. Max Planck Inst Astron, D-69117 Heidelberg, Germany. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Univ Chicago, Ctr Cosmol Phys, Chicago, IL 60637 USA. RP Univ Tokyo, Dept Phys, Bunkyo Ku, Hongo 7-3-1, Tokyo 1130033, Japan. RI Oguri, Masamune/C-6230-2011; Turner, Edwin/A-4295-2011; OI PINDOR, BARTOSZ/0000-0003-3240-2437 NR 152 TC 80 Z9 80 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2004 VL 605 IS 1 BP 78 EP 97 DI 10.1086/382221 PN 1 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WJ UT WOS:000220801700009 ER PT J AU Herwig, F AF Herwig, F TI Dredge-up and envelope burning in intermediate-mass giants of very low metallicity SO ASTROPHYSICAL JOURNAL LA English DT Article DE nuclear reactions; nucleosynthesis; abundances; stars : abundances; stars : AGB and post-AGB; stars : evolution; stars : Population II ID S-PROCESS NUCLEOSYNTHESIS; METAL-POOR STARS; THERMONUCLEAR REACTION-RATES; GLOBULAR-CLUSTER STARS; BRANCH STARS; AGB STARS; STELLAR EVOLUTION; NEUTRON-CAPTURE; CARBON-RICH; ISOTOPIC COMPOSITION AB The evolution of intermediate-mass stars at very low metallicity during their final thermal pulse asymptotic giant branch (AGB) phase is studied in detail. As representative examples, models with initial masses of 4 and 5 M. and with a metallicity of Z = 0.0001 ([Fe/H] similar to -2.3) are discussed. The one-dimensional stellar structure and evolution model includes time- and depth-dependent overshooting motivated by hydrodynamic simulations, as well as a full nuclear network and time-dependent mixing. Particular attention is given to high time and space resolution to avoid numerical artifacts related to third dredge-up and hot bottom burning predictions. The model calculations predict very efficient third dredge-up that mixes the envelope with the entire intershell layer or a large fraction thereof and in some cases penetrates into the C/O core below the He shell. In all cases primary oxygen is mixed into the envelope. The models predict efficient envelope burning during the interpulse phase. Depending on the envelope-burning temperature, oxygen is destroyed to varying degrees. The combined effect of dredge-up and envelope burning does not lead to any significant oxygen depletion in any of the cases considered in this study. The large dredge-up efficiency in our model is closely related to the particular properties of the H shell during the dredge-up phase in low-metallicity very metal-poor stars, which is followed here over many thermal pulses. During the dredge-up phase, the temperature just below the convective boundary is large enough for protons to burn vigorously when they are brought into the C-rich environment below the convection boundary by the time- and depth-dependent overshooting. H-burning luminosities of 10(5) to similar to2 x 10(6) L. are generated. C, and to lesser degree O, is transformed into N in this dredge-up overshooting layer and enters the envelope. The global effect on the CNO abundance is similar to that of hot bottom burning. If the overshoot efficiency is larger, then dredge-up H burning causes a further increase in the dredge-up efficiency. After some thermal pulses, the dredge-up proceeds through the He shell and into the CO core beneath. Then neutrons may not be released from C-13 in radiative conditions during the interpulse phase because of the scarcity of alpha-particles for the C-13(alpha, n)O-16 reactions. Conditions for the s-process are discussed qualitatively. The abundance evolution of H, He, C, N, O, and Na is described. Finally, the model predictions for sodium and oxygen are compared with observed abundances. The notion that massive AGB stars are the origin of the O-Na abundance anticorrelation in globular cluster giants is not consistent with the model predictions of this study. The abundance of the C-rich extremely metal-poor binaries LP 625-44, CS 29497-030, and HE 0024-2523 is discussed. C1 Univ Victoria, Dept Phys & Astron, Victoria, BC V8P 1A1, Canada. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Herwig, F (reprint author), Univ Victoria, Dept Phys & Astron, 3800 Finnerty Rd, Victoria, BC V8P 1A1, Canada. EM fherwig@lanl.gov NR 63 TC 90 Z9 90 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2004 VL 605 IS 1 BP 425 EP 435 DI 10.1086/382200 PN 1 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WJ UT WOS:000220801700036 ER PT J AU Deng, J Kawabata, KS Ohyama, Y Nomoto, K Mazzali, PA Wang, L Jeffery, DJ Iye, M Tomita, H Yoshii, Y AF Deng, J Kawabata, KS Ohyama, Y Nomoto, K Mazzali, PA Wang, L Jeffery, DJ Iye, M Tomita, H Yoshii, Y TI Subaru spectroscopy of the interacting type Ia supernova SN 2002ic: Evidence of a hydrogen-rich, asymmetric circumstellar medium SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae : general; supernovae : individual (SN 2002ic) ID II SUPERNOVAE; NEBULAR SPECTRA; OPTICAL-SPECTRA; EMISSION; EJECTA; 1998BW; WIND AB Optical spectroscopy of the Type Ia supernova SN 2002ic obtained on 2003 June 27.6 UT, i.e., similar to222 rest-frame days after explosion, is presented. Strong H emission indicates an interaction between the expanding SN ejecta and an H-rich circumstellar medium (CSM). The spectrum of SN 2002ic resembles those of SNe 1997cy and 1999E. The three SNe also have similar luminosities, suggesting that they are the same phenomenon and that the CSM is also similar. We propose a new classification, Type IIa SNe, for these events. The observed line profiles and line ratios are measured and discussed within the ejecta-CSM interaction scenario. The emission in H Balmer, [O III], and He I lines, and in permitted Fe II blends, resembles the spectra of the Type IIn SN 1987F and of Seyfert 1 galaxies. A high-density, clumpy CSM is inferred. Strong, very broad [Ca II]/ Ca II and [ O I]/ O I emissions imply that not all the outer SN ejecta were decelerated in the interaction, suggesting that the CSM is aspherical. C1 Univ Tokyo, Res Ctr Early Universe, Bunkyo Ku, Tokyo 1130033, Japan. Univ Tokyo, Dept Astron, Bunkyo Ku, Tokyo 1130033, Japan. Hiroshima Univ, Dept Phys Sci, Hiroshima 7398526, Japan. Natl Astron Observ, Opt & Infrared Astron Div, Tokyo 1818588, Japan. Natl Astron Observ Japan, Subaru Telescope, Hilo, HI 96720 USA. Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. Grad Univ Adv Studies, Dept Astron, Tokyo 1818588, Japan. Univ Tokyo, Inst Astron, Tokyo 1810015, Japan. RP Deng, J (reprint author), Univ Tokyo, Res Ctr Early Universe, Bunkyo Ku, Hongo 7-3-1, Tokyo 1130033, Japan. EM deng@astron.s.u-tokyo.ac.jp RI Nomoto, Ken'ichi/A-4393-2011 NR 29 TC 62 Z9 62 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2004 VL 605 IS 1 BP L37 EP L40 DI 10.1086/420698 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WK UT WOS:000220801800010 ER PT J AU Brackbill, JU AF Brackbill, JU TI Introduction to Harlow's scientific memoir SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Editorial Material C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Brackbill, JU (reprint author), Los Alamos Natl Lab, Div Theoret, T-3, Los Alamos, NM 87545 USA. EM jub@lanl.gov NR 1 TC 0 Z9 0 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2004 VL 195 IS 2 BP 413 EP 413 DI 10.1016/j.jcp.2003.09.030 PG 1 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 811RN UT WOS:000220789100001 ER PT J AU Harlow, FH AF Harlow, FH TI Fluid dynamics in group T-3 Los Alamos National Laboratory (LA-UR-03-3852) SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Review DE computational fluid dynamics; history of computing; turbulence; multi-field flow; strong distortions; incompressible flow; relativistic fluids ID NUMERICAL-CALCULATION; MULTIPHASE FLOW; 2-PHASE FLOW; TURBULENCE TRANSPORT; CONTRACTILE NETWORKS; 2-POINT DESCRIPTION; FREE-SURFACE; LIQUID DROP; COLLISIONS; EQUATIONS AB The development of computer fluid dynamics has been closely associated with the evolution of large high-speed computers. At first the principal incentive was to produce numerical techniques for solving problems related to national defense. Soon, however, it was recognized that numerous additional scientific and engineering applications could be accomplished by means of modified techniques that extended considerably the capabilities of the early procedures. This paper describes some of this work at The Los Alamos National Laboratory, where many types of problems were solved for the first time with the newly emerging sequence of numerical capabilities. The discussions focus principally on those with which the author has been directly involved. (C) 2003 Elsevier Inc. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Harlow, FH (reprint author), Los Alamos Natl Lab, MS-B216, Los Alamos, NM 87544 USA. EM fhharlow@lanl.gov NR 176 TC 10 Z9 11 U1 5 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2004 VL 195 IS 2 BP 414 EP 433 DI 10.1016/j.jcp.2003.09.031 PG 20 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 811RN UT WOS:000220789100002 ER PT J AU Cook, AW Cabot, WH AF Cook, AW Cabot, WH TI A high-wavenumber viscosity for high-resolution numerical methods SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE artificial viscosity; compact schemes; shock capturing ID HYPERBOLIC CONSERVATION-LAWS; NONLINEAR SCHEMES; FILTERS AB A spectral-like viscosity is proposed for centered differencing schemes to help stabilize numerical solutions and reduce oscillations near discontinuities. Errors introduced by the added dissipation can be made arbitrarily small by adjusting the power of the derivative in the viscosity term. The high-wavenumber viscosity is combined with a 10th-order compact scheme to produce an accurate and efficient shock-capturing method. The new scheme compares favorably with other shock-capturing algorithms. (C) 2003 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Cook, AW (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM awcook@llnl.gov NR 18 TC 77 Z9 78 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2004 VL 195 IS 2 BP 594 EP 601 DI 10.1016/j.jcp.2003.10.012 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 811RN UT WOS:000220789100010 ER PT J AU Bell, JB Day, MS Rendleman, CA Woosley, SE Zingale, MA AF Bell, JB Day, MS Rendleman, CA Woosley, SE Zingale, MA TI Adaptive low Mach number simulations of nuclear flame microphysics SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID THERMONUCLEAR FLAMES; NUMERICAL-SIMULATION; PROJECTION METHOD; IA SUPERNOVAE; FLOWS; PROPAGATION; CHEMISTRY; EQUATIONS; CODE AB We introduce a numerical model for the simulation of nuclear flames in Type la supernovae. This model is based on a low Mach number formulation that analytically removes acoustic wave propagation while retaining the compressibility effects resulting from nuclear burning. The formulation presented here generalizes low Mach number models used in combustion that are based on an ideal gas approximation to the arbitrary equations of state such as those describing the degenerate matter found in stellar material. The low Mach number formulation permits time steps that are controlled by the advective time scales resulting in a substantial improvement in computational efficiency compared to a compressible formulation. We briefly discuss the basic discretization methodology for the low Mach number equations and their implementation in an adaptive projection framework. We present validation computations in which the computational results from the low Mach number model are compared to a compressible code and present an application of the methodology to the Landau-Darrieus instability of a carbon flame. (C) 2003 Elsevier Inc. All rights reserved. C1 Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. RP Rendleman, CA (reprint author), Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, 1 Cyclotron Rd,MS 50A-114, Berkeley, CA 94720 USA. EM CARendleman@lbl.gov OI Zingale, Michael/0000-0001-8401-030X NR 33 TC 46 Z9 46 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2004 VL 195 IS 2 BP 677 EP 694 DI 10.1016/j.jcp.2003.10.035 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 811RN UT WOS:000220789100014 ER PT J AU Ober, CC Shadid, JN AF Ober, CC Shadid, JN TI Studies on the accuracy of time-integration methods for the radiation-diffusion equations SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID TRANSPORT; STIFF AB The governing equations for the radiation-diffusion approximation to radiative transport are a system of highly nonlinear, multiple time-scale, partial-differential equations. The numerical solution of these equations for very large-scale simulations is most often carried out using semi-implicit linearization or operator-splitting techniques. These techniques do not fully converge the nonlinearities of the system so as to reduce the cost and complexity of the transient solution at each time step. For a given time-step size, this process exchanges temporal accuracy for computational efficiency. This study considers the temporal-accuracy issue by presenting detailed numerical-convergence studies for problems related to radiation-diffusion simulations. In this context a particular spatial discretization based on a Galerkin finite-element technique is used. The time-integration methods that we consider include: fully implicit, semi-implicit,. and operator-splitting techniques. Results are presented for the relative accuracy and the asymptotic order of accuracy of the various methods. The results demonstrate both first-order and second-order asymptotic order of accuracy for the fully implicit, semi-implicit, and the operator-splitting schemes. Additionally a second-order operator-splitting linearized-diffusion method is also presented. (C) 2003 Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Dept Computat Sci, Albuquerque, NM 87185 USA. RP Shadid, JN (reprint author), Sandia Natl Labs, Dept Computat Sci, MS 0316,POB 5800, Albuquerque, NM 87185 USA. EM ccober@sandia.gov; jnshadi@sandia.gov NR 28 TC 29 Z9 30 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2004 VL 195 IS 2 BP 743 EP 772 DI 10.1016/j.jcp.2003.10.036 PG 30 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 811RN UT WOS:000220789100017 ER PT J AU Balasubramanian, K AF Balasubramanian, K TI Group representations and multinomial combinatorics of the icosahedral symmetry SO MOLECULAR PHYSICS LA English DT Article ID NUCLEAR-SPIN STATISTICS; BUCKMINSTERFULLERENE; MOLECULES; C-60; SPECTROSCOPY; ENUMERATION; FULLERENES; C60 AB The icosahedral symmetry is one of the most intriguing symmetries, as it not only presents a challenge but it appears in many fullerenes and high energetic materials such as the dodecahedral N-20. We have considered the combinatorics of all irreducible representations of the icosahedral symmetry for a number of multinomial partitions for vertex, face and edge colourings in this work. We have constructed the combinatorial tables for all irreducible representations for various multinomial partitions of colourings for the vertices, edge and faces of the icosahedron. These techniques should have important applications to enumerations and spectroscopy of fullerenes and high-energy materials such as N-20. C1 Univ Calif Davis, Ctr Image Proc & Integrated Computing, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Univ Calif Davis, Ctr Image Proc & Integrated Computing, Livermore, CA 94550 USA. EM kbala@ucdavis.edu NR 40 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 0026-8976 J9 MOL PHYS JI Mol. Phys. PD APR 10 PY 2004 VL 102 IS 7 BP 659 EP 679 DI 10.1080/00268970410001687443 PG 21 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 826AO UT WOS:000221801400004 ER PT J AU Chambers, SA Droubay, T Kaspar, TC Gutowski, M van Schilfgaarde, M AF Chambers, SA Droubay, T Kaspar, TC Gutowski, M van Schilfgaarde, M TI Accurate valence band maximum determination for SrTiO3(001) SO SURFACE SCIENCE LA English DT Article DE surface electronic phenomena (work function; surface potential, surface states, etc.); semiconducting surfaces; heterojunctions ID GENERALIZED GRADIENT APPROXIMATION; RAY PHOTOELECTRON-SPECTROSCOPY; ELECTRON-DOPED SRTIO3; SRTIO3/SI(001) HETEROJUNCTIONS; PRECISE DETERMINATION; SURFACES; ENERGY; EXCHANGE; SPECTRA; COPPER AB We reexamine a well-established method for determining valence band maxima (VBM) in semiconductors based on fitting photoemission valence band spectra to theoretical densities of states. In contrast to the situation for covalent semiconductors, application of this technique to SrTiO3 produces poor fits when the density of states is computed within the local density or generalized gradient approximation. The resulting VBM is too high by several tenths of an eV. However, an excellent fit, and a more physically reasonable VBM, is obtained when the density of states is computed within a recently-developed self-consistent G W approximation. Extrapolating the X-ray excited leading edge to the energy axis, and finding the energy at which the UV-excited leading edge intensity goes to zero, also yield physically reasonable VBM values that are in good mutual agreement, and in good agreement with the VBM obtained by fitting to GW theory. These numbers are useful for accurate band offset determination. (C) 2004 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, POB 999,MS K8-93, Richland, WA 99352 USA. EM sa.chambers@pnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 25 TC 43 Z9 43 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 10 PY 2004 VL 554 IS 2-3 BP 81 EP 89 DI 10.1016/susc.2004.02.021 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 812DR UT WOS:000220820700007 ER PT J AU Zhang, Z Fenter, P Cheng, L Sturchio, NC Bedzyk, MJ Machesky, ML Wesolowski, DJ AF Zhang, Z Fenter, P Cheng, L Sturchio, NC Bedzyk, MJ Machesky, ML Wesolowski, DJ TI Model-independent X-ray imaging of adsorbed cations at the crystal-water interface SO SURFACE SCIENCE LA English DT Article DE X-ray standing waves; solid-liquid interfaces; adatoms; surface electronic phenomena (work function; surface potential, surface states, etc.); titanium oxide ID STANDING WAVES; DOUBLE-LAYER; HOLOGRAPHY; ADSORPTION; SURFACES AB We describe an approach to directly image three-dimensional elemental distributions at the crystal-liquid interface with similar to1 Angstrom spatial resolution. This method, based on the Fourier synthesis of X-ray standing wave data, is demonstrated by imaging the distribution of Sr2+, Zn2+ and Y3+ adsorbed to the rutile (110)-water interface with no a priori assumptions. The approach resolves distinct sites and is robust for systems with single or multiple simultaneous adsorption sites. The observed ion distributions reveal unexpected differences in the adsorption sites of these cations that are needed to interpret electrical double-layer phenomena using surface complexation models. Published by Elsevier B.V. C1 Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. Northwestern Univ, Inst Environm Catalysis, Evanston, IL 60208 USA. Univ Illinois, Chicago, IL 60607 USA. Illinois State Water Survey, Champaign, IL 61820 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Fenter, P (reprint author), Argonne Natl Lab, Div Environm Res, ER-203,9700 S Cass Ave, Argonne, IL 60439 USA. EM fenter@anl.gov RI Zhang, Zhan/A-9830-2008; Bedzyk, Michael/B-7503-2009; Cheng, Likwan/C-1436-2013; Bedzyk, Michael/K-6903-2013 OI Zhang, Zhan/0000-0002-7618-6134; NR 20 TC 54 Z9 55 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD APR 10 PY 2004 VL 554 IS 2-3 BP L95 EP L100 DI 10.1016/j.susc.2003.11.047 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 812DR UT WOS:000220820700002 ER PT J AU Brown, MT Mangel, WF AF Brown, MT Mangel, WF TI Interaction of actin and its 11-amino acid C-terminal peptide as cofactors with the adenovirus proteinase SO FEBS LETTERS LA English DT Article DE cysteine proteinase; viral proteinase; cell lysis; equilibrium dissociation constant; cytoskeleton destruction; enzyme activation ID RABBIT SKELETAL-MUSCLE; CYTOSKELETON; SEQUENCE; BINDING; VIRION; DNA AB Actin bound to the adenovirus proteinase (AVP) with a lower equilibrium dissociation constant, 4.2 nM, than those exhibited by two viral, nuclear cofactors for AVP, the 11-amino acid peptide pVIc and the viral DNA. The k(cat)/K-m ratio for substrate hydrolysis by AVP increased 150000-fold in the presence of actin. The 11-amino acid residue peptide corresponding to the C-terminus of actin, which is highly homologous to pVIc, bound to AVP and stimulated its activity in the presence of DNA. As a cellular cofactor for AVP, AVP(actin) complexes may facilitate the cleavage of cytoskeletal proteins, preparing the infected cell for lysis and release of nascent virions. (C) 2004 Published by Elsevier B.V. on behalf of the Federation of European Biochemical Societies. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. SUNY Stony Brook, Dept Pharmacol Sci, Stony Brook, NY 11794 USA. RP Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM mangel@bnl.gov FU NIAID NIH HHS [AI41599] NR 21 TC 8 Z9 8 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0014-5793 EI 1873-3468 J9 FEBS LETT JI FEBS Lett. PD APR 9 PY 2004 VL 563 IS 1-3 BP 213 EP 218 DI 10.1016/S0014-5793(04)00285-6 PG 6 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 811LK UT WOS:000220773200040 PM 15063751 ER PT J AU Noble, CMM Beasley, WH Postawko, SE Light, TEL AF Noble, CMM Beasley, WH Postawko, SE Light, TEL TI Coincident observations of lightning by the FORTE photodiode detector, the new Mexico Tech Lightning Mapping Array and the NLDN during STEPS SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID CLIMATE-CHANGE; SATELLITE AB Opportunities for observation of lightning simultaneously from space and ground are relatively rare. One such opportunity for "ground truth" occurred during the STEPS field program. On 25 June, 2000 the FORTE Satellite passed over a storm that was also observed by a VHF Lightning Mapping Array (LMA). Of the 190 flashes mapped during the 2 minute 45 second pass, 26 had associated satellite optical data, and 3 of these were coincident with the only NLDN ground-strike locations in the storm during that time. The maximum height, horizontal extent and duration of flashes detected optically tended to be greater than for those flashes not optically detected. Results in this paper, a companion paper and other published papers suggest that at least under some circumstances, CG flashes are relatively more likely than intra-cloud (IC) flashes to be observed by an optical sensor in orbit. C1 Univ Oklahoma, Sch Meteorol, Norman, OK 73019 USA. Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. RP Noble, CMM (reprint author), Univ Oklahoma, Sch Meteorol, Norman, OK 73019 USA. EM whb@ou.edu NR 18 TC 9 Z9 9 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 9 PY 2004 VL 31 IS 7 AR L07106 DI 10.1029/2003GL018989 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 813OD UT WOS:000220915500001 ER PT J AU Gritti, F Guiochon, G AF Gritti, F Guiochon, G TI Effect of the ionic strength of salts on retention and overloading behavior of ionizable compounds in reversed-phase liquid chromatography I. XTerra-C-18 SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE adsorption equilibrium; adsorption isotherm; Moreau isotherm model; frontal analysis; overloaded band profiles; silica gel; propranolol ID ADSORPTION-ISOTHERM; CONCENTRATION BAND; PROPAGATION; SIMULATION; PROFILES; ACIDITY; SURFACE AB The influence of the salt concentration (potassium chloride) on the retention and overloading behavior of the propranolol cation (R'-NH2+-R) on an XTerra-C-18 column, in a methanol: water solution, was investigated. The adsorption isotherm data were first determined by frontal analysis (FA) for a mobile phase without salt (25% methanol, nu/nu). It was shown that the adsorption energy distribution calculated from these raw adsorption data is bimodal and that the isotherm model that best accounts for these data is the bi-Moreau model. Assuming that the addition of a salt into the mobile phase changes the numerical values of the parameters of the isotherm model, not its mathematical form, we used the inverse method (IM) of chromatography to determine the isotherm with seven salt concentrations in the mobile phase (40% methanol, nu/nu; 0, 0.002, 0.005, 0.01, 0.05, 0.1 and 0.2 M). The saturation capacities of the model increase, q(s,1) by a factor two and q(s,2) by a factor four, with increasing salt concentration in the range studied while the adsorption constant b(1) increases four times and b(2) decreases four times. Adsorbate-adsorbate interactions vanish in the presence of salt, consistent with results obtained previously on a C-18-Kromasil column. Finally, besides the ionic strength of the solution, the size, valence, and nature of the salt ions affect the thermodynamic as well as the mass transfer kinetics of the adsorption mechanism of propranolol on the XTerra column. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 24 TC 60 Z9 62 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD APR 9 PY 2004 VL 1033 IS 1 BP 43 EP 55 DI 10.1016/j.chroma.2004.01.027 PG 13 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 804HP UT WOS:000220290100005 ER PT J AU Gritti, F Guiochon, G AF Gritti, F Guiochon, G TI Effect of the ionic strength of salts on retention and overloading behavior of ionizable compounds in reversed-phase liquid chromatography II. Symmetry-C-18 SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE adsorption equilibrium; adsorption isotherms; Moreau isotherm model; frontal analysis; overloaded band profiles; ionic strength; salt effects; silica; propranolol ID WATER MOBILE PHASES; ADSORPTION-ISOTHERM; BAND PROFILES; PH VALUES; HPLC; PERFORMANCE; ACIDS; PROPAGATION; SIMULATION; SOLUTES AB In a companion paper, we describe the influence of the concentration and the nature of salts dissolved in the mobile phase (methanol: water, 40:60, nu/nu) on the adsorption behavior of propranolol (R'-NH2+-R, Cl-) on XTerra-C-18. The same experiments were repeated on a Symmetry-C-18 column to compare the adsorption mechanisms of this ionic compound on these two very different RPLC systems. Frontal analysis (FA) measurements were first carried out to determine the best isotherm model accounting for the adsorption behavior of propranolol hydrochloride on Symmetry with a mobile phase without salt (and only 25% methanol to compensate for the low retention in the absence of salt). The adsorption data were best modeled by the bi-Moreau model. Large concentration band profiles of propranolol were recorded with mobile phases having increasing KCl concentrations (0, 0.002, 0.005, 0.01, 0.05, 0.1 and 0.2 M) and the best values of the isotherm coefficients were determined by the inverse method (IM) of chromatography. The general effect of a dissociated salt in the mobile phase was the same as the one observed earlier with XTerra-C-18. Increasing the salt concentration increases the two saturation capacities of the adsorbent and the adsorption constant on the low-energy sites. The adsorption constant on the high-energy sites decreases and the adsorbate-adsorbate interactions tend to vanish with increasing salt concentration of the mobile phase. The saturation capacities decrease with increasing radius of the monovalent cation (Na+, K+, Cs+, etc.). Using sulfate as a bivalent anion (Na2SO4) affects markedly the adsorption equilibrium: the saturation capacities are drastically reduced, the high-energy sites nearly disappear while the adsorption constant and the adsorbate-adsorbate interactions on the low-energy sites increase strongly. The complexity of the thermodynamics in solution might explain the different influences of these salts on the adsorption behavior. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, 552 Buehler Hall, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 32 TC 51 Z9 52 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD APR 9 PY 2004 VL 1033 IS 1 BP 57 EP 69 DI 10.1016/j.chroma.2004.01.029 PG 13 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 804HP UT WOS:000220290100006 PM 15072290 ER PT J AU McCarthy, MC Boering, KA Rahn, T Eiler, JM Rice, AL Tyler, DC Schauffler, S Atlas, E Johnson, DG AF McCarthy, MC Boering, KA Rahn, T Eiler, JM Rice, AL Tyler, DC Schauffler, S Atlas, E Johnson, DG TI The hydrogen isotopic composition of water vapor entering the stratosphere inferred from high-precision measurements of delta D-CH4 and delta D-H-2 SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE hydrogen isotopic composition; water vapor; stratosphere; tropical troposphere layer ID TROPICAL TROPOPAUSE LAYER; INFRARED SOLAR SPECTRA; IN-SITU MEASUREMENTS; HORIZONTAL TRANSPORT; LINE POSITIONS; BALLOON-BORNE; POLAR VORTEX; CH4; METHANE; HDO AB [1] The hydrogen isotopic composition of water vapor entering the stratosphere provides an important constraint on the mechanisms for dehydration of air ascending through the tropical tropopause layer. We have inferred the annual mean hydrogen isotopic composition of water vapor entering the stratosphere (or deltaD-H2O0) for the mid to late 1990s based on high-precision measurements of the hydrogen isotopic compositions of stratospheric H-2 and CH4 from whole air samples collected on the NASA ER-2 aircraft between 1996 and 2000 and remote observations of deltaD-H2O from the FIRS-2 far infrared spectrometer. We calculate an annual mean value for deltaD-H2O0 of - 653 (+ 24/ - 25)parts per thousand relative to Vienna standard mean ocean water (VSMOW). Previous inferences from balloon-borne and spacecraft remote-sensing observations are similar to20parts per thousand lighter than the value from this analysis. We attribute the difference to an underestimation of deuterium in the molecular H-2 reservoir in earlier work. This precise and more accurate value for the annual mean deltaD-H2O0 will be useful as a 1990' s benchmark for detecting future changes in the details of the dehydration of air due to the impact of climate change on convection intensity, cloud microphysics, or tropical tropopause layer temperatures. In addition, we report a value for the total deuterium content in the three main stratospheric hydrogen reservoirs HDO, HD, and CH3D of 1.60 (+ 0.02/-0.03) ppbv. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Div Earth Sci, Livermore, CA USA. CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. Univ Calif Irvine, Dept Chem, Irvine, CA 92717 USA. Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. NASA, Laser & Electroopt Branch, Langley Res Ctr, Hampton, VA 23681 USA. RP McCarthy, MC (reprint author), Sonoma Technol Inc, Petaluma, CA 94954 USA. EM boering@cchem.berkeley.edu; eiler@gps.caltech.edu; styler@uci.edu; eatlas@rsmas.miami.edu; david.g.johnson@nasa.gov RI McCarthy, Michael/E-5970-2010; Rahn, Thom/C-5211-2012; Atlas, Elliot/J-8171-2015 NR 58 TC 19 Z9 19 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 9 PY 2004 VL 109 IS D7 AR D07304 DI 10.1029/2003JD004003 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 813OP UT WOS:000220916700005 ER PT J AU Vigil, D Blumenthal, DK Heller, WT Brown, S Canaves, JM Taylor, SS Trewhella, J AF Vigil, D Blumenthal, DK Heller, WT Brown, S Canaves, JM Taylor, SS Trewhella, J TI Conformational differences among solution structures of the type I alpha, II alpha and II beta protein kinase A regulatory subunit homodimers: Role of the linker regions SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE protein kinase A; regulatory subunit; isoform differences; small-angle X-ray scattering; structure ID CAMP-BINDING DOMAINS; CATALYTIC-SUBUNIT; ANCHORING PROTEIN; RI-ALPHA; MASS-SPECTROMETRY; SKELETAL-MUSCLE; MOLECULAR-BASIS; TROPONIN-C; PKA; PHOSPHORYLATION AB The regulatory (R) subunits of the cAMP-dependent protein kinase (protein kinase A or PKA) are multi-domain proteins responsible for conferring cAMP-dependence and localizing PKA to specific subcellular locations. There are four isoforms of the R subunit in mammals that are similar in molecular mass and domain organization, but clearly serve different biological functions. Although high-resolution structures are available for the cAMP-binding domains and dimerization/docking domains of two isoforms, there are no high-resolution structures of any of the intact R subunit homodimer isoforms. The results of small-angle X-ray scattering studies presented here indicate that the RIalpha, RIIalpha, and RIIbeta homodimers differ markedly in overall shape, despite extensive sequence homology and similar molecular masses. The RIIalpha and RIIbeta homodimers have very extended, rod-like shapes, whereas the RIalpha homodimer likely has a compact Y-shape. Based on a comparison of the R subunit sequences, we predict that the linker regions are the likely cause of these large differences in shape among the isoforms. In addition, we show that cAMP binding does not cause large conformational changes in type Ialpha or IIalpha R subunit homodimers, suggesting that the activation of PKA by cAMP involves only local conformational changes in the R subunits. (C) 2004 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92037 USA. Univ Calif San Diego, Howard Hughes Med Inst, La Jolla, CA 92037 USA. Univ Utah, Dept Pharmacol & Toxicol, Salt Lake City, UT 84112 USA. Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. Joint Ctr Struct Genomics Bioinformat Core, La Jolla, CA 92093 USA. RP Trewhella, J (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM jtrewhella@lan1.gov RI Brown, Simon/A-3261-2009; ID, BioCAT/D-2459-2012; OI Brown, Simon/0000-0003-3997-4614; Trewhella, Jill/0000-0002-8555-6766; Blumenthal, Donald/0000-0002-8614-1167 FU NCRR NIH HHS [RR-008630]; NIGMS NIH HHS [GM19301, GM34921] NR 55 TC 36 Z9 36 U1 0 U2 6 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 9 PY 2004 VL 337 IS 5 BP 1183 EP 1194 DI 10.1016/j.jmb.2004.02.028 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 809RJ UT WOS:000220653500009 PM 15046986 ER PT J AU Alam, TM Segall, JM AF Alam, TM Segall, JM TI Structural perturbations on the bridging oxygen O-17 NMR EFG parameters in ultraphosphates: an ab initio study SO JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM LA English DT Article DE phosphate; Ab initio; O-17; electrical field gradient; nuclear magnetic resonance calculations ID QUADRUPOLAR COUPLING PARAMETERS; ANGLE SPINNING NMR; SILICATE-GLASSES; ABINITIO CALCULATIONS; CRYSTAL-STRUCTURE; LOCAL-STRUCTURE; REFINEMENT; MOLECULES; DISORDER; DENSITY AB Ab initio molecular orbital calculations (Hartree-Fock, HF and density functional theory, DFF) of the O-17 NMR electrical field gradient (EFG) parameters for the bridging oxygen (O-B) in the model cluster H4P2O7 are presented. The variation of the quadrupolar coupling constant (C-Q) and asymmetry parameter (eta(Q)) for the EFG of the bridging oxygen was shown to be a function of both the bridging P-O-B-P bond angle and the O-P-O-B-P=O conformation. These ab initio calculations allowed empirical relationships between the O-17 NMR EFG parameters and the P-OB-P bond angle to be tabulated for a wide range of O=P-O-B-P=O conformations. For experimentally realistic ranges of the P-O-B-P bond angle, the O-17 NMR EFG parameters are dominated by variations in the P-O-B-P bond angle, with minor changes due to the O=P-O-B-P=O conformation. These calculations also demonstrated systematic differences in the predicted O-17 EFG parameters obtained using HF and DFT level of theory. (C) 2004 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Dept Organ Mat, Albuquerque, NM 87185 USA. RP Alam, TM (reprint author), Sandia Natl Labs, Dept Organ Mat, Albuquerque, NM 87185 USA. EM tmalam@sandia.gov NR 31 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-1280 J9 J MOL STRUC-THEOCHEM JI Theochem-J. Mol. Struct. PD APR 9 PY 2004 VL 674 IS 1-3 BP 167 EP 175 DI 10.1016/j.theochem.2004.02.005 PG 9 WC Chemistry, Physical SC Chemistry GA 819YA UT WOS:000221351000025 ER PT J AU Thrall, KD Woodstock, AD Kania, MR AF Thrall, KD Woodstock, AD Kania, MR TI Development of a physiologically based pharmacokinetic model for chlorobenzene in F-344 rats SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES LA English DT Article ID AIR PARTITION-COEFFICIENTS; VOLATILE ORGANIC-CHEMICALS; INHALED CHLOROBENZENE; GAS UPTAKE; MONOCHLOROBENZENE; METABOLITES; BLOOD; SIMULATION; EXPOSURE; BENZENE AB A physiologically based pharmacokinetic (PBPK) model to describe the absorption, distribution, metabolism, and elimination of chlorobenzene in rats was developed. Partition coefficients were experimentally determined in rat tissues and blood samples using an in vitro vial equilibration technique. These solubility ratios were in agreement with previous reports. The in vivo metabolism of chlorobenzene was evaluated using groups of three F344 male rats exposed to initial chlorobenzene concentrations ranging from 82 to 6750 ppm in a closed, recirculating gas uptake system. An optimal fit of the family of uptake curves was obtained by adjusting Michaelis-Menten metabolic constants, K-m (affinity) and V-max (capacity), using the PBPK model. At the highest chamber concentration, the uptake curve could not be modeled without the addition of a first-order (K-fo) metabolic pathway. Pretreatment with pyrazole, an inhibitor of oxidative microsomal metabolism, had no impact on the slope of the uptake curve. The completed PBPK model was evaluated against real-time exhaled breath data collected from rats receiving either an intraperitoneal (ip) injection or oral gavage dose of chlorobenzene in corn oil. Exhaled breath profiles were evaluated and absorption rates were determined. Development of the chlorobenzene PBPK model in rats is the first step toward future extrapolations to apply to humans. C1 Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Univ Washington, US Dept Energy Preserv Teacher Program, Seattle, WA 98195 USA. RP Thrall, KD (reprint author), Pacific NW Natl Lab, Div Biol Sci, 902 Battelle Blvd,Mail Stop P7-59, Richland, WA 99352 USA. EM karla.thrall@pnl.gov NR 23 TC 3 Z9 3 U1 1 U2 1 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 PD APR 9 PY 2004 VL 67 IS 7 BP 525 EP 536 DI 10.1080/15287390490425731 PG 12 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 807GO UT WOS:000220490200001 PM 15129550 ER PT J AU Altepeter, JB Hadley, PG Wendelken, SM Berglund, AJ Kwiat, PG AF Altepeter, JB Hadley, PG Wendelken, SM Berglund, AJ Kwiat, PG TI Experimental investigation of a two-qubit decoherence-free subspace SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM COMPUTATION; COMPUTERS; CODES AB We thoroughly explore the phenomenon of a decoherence-free subspace (DFS) for two-qubit systems. Specifically, we both collectively and noncollectively decohere entangled polarization-encoded two-qubit states using thick birefringent crystals. These results characterize the basis-dependent effect of decoherence on the four Bell states, the robustness of the DFS state against perturbations in the assumption of collective decoherence, and the existence of a DFS for each type of stable noncollective decoherence. Finally, we investigate the effects of collective and noncollective dissipation. C1 Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Altepeter, JB (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM kwiat@uiuc.edu RI Altepeter, Joseph/F-7878-2010 NR 27 TC 62 Z9 63 U1 0 U2 5 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 147901 DI 10.1103/PhysRevLett.92.147901 PG 4 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500056 PM 15089574 ER PT J AU Aubert, B Barate, R Boutigny, D Gaillard, JM Hicheur, A Karyotakis, Y Lees, JP Robbe, P Tisserand, V Zghiche, A Palano, A Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kral, JF Kukartsev, G LeClerc, C Levi, ME Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Romosan, A Ronan, MT Shelkov, VG Telnov, AV Wenzel, WA Ford, K Harrison, TJ Hawkes, CM Knowles, DJ Morgan, SE Penny, RC Watson, AT Watson, NK Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schmuecker, H Steinke, M Barlow, NR Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Mackay, C Wilson, FF Abe, K Cuhadar-Donszelmann, T Hearty, C Mattison, TS McKenna, JA Thiessen, D Kyberd, P McKemey, AK Blinov, VE Bukin, AD Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Shen, BC del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HR Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Dahmes, B Kuznetsova, N Levy, SL Long, O Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Beringer, J Eisner, AM Heusch, CA Lockman, WS Schalk, T Schmitz, RE Schumm, BA Seiden, A Turri, M Walkowiak, W Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Abe, T Blanc, F Bloom, P Chen, S Clark, PJ Ford, WT Nauenberg, U Olivas, A Rankin, P Roy, J Smith, JG van Hoek, WC Zhang, L Harton, JL Hu, T Soffer, A Toki, WH Wilson, RJ Zhang, J Altenburg, D Brandt, T Brose, J Colberg, T Dickopp, M Dubitzky, RS Hauke, A Lacker, HM Maly, E Muller-Pfefferkorn, R Nogowski, R Otto, S Schubert, J Schubert, KR Schwierz, R Spaan, B Wilden, L Bernard, D Bonneaud, GR Brochard, F Cohen-Tanugi, J Grenier, P Thiebaux, C Vasileiadis, G Verderi, M Khan, A Lavin, D Muheim, F Playfer, S Swain, JE Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Treadwell, E Anulli, F Baldini-Ferroli, R Biasini, M Calcaterra, A de Sangro, R Falciai, D Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Pioppi, M Zallo, A Buzzo, A Capra, R Contri, R Crosetti, G Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Morii, M Won, E Bhimji, W Bowerman, DA Dauncey, PD Egede, U Eschrich, I Gaillard, JR Morton, GW Nash, JA Sanders, P Taylor, GP Grenier, GJ Lee, SJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Yi, J Davier, M Grosdidier, G Hocker, A Laplace, S Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Tantot, L Wormser, G Brigljevic, V Cheng, CH Lange, DJ Wright, DM Bevan, AJ Coleman, JP Fry, JR Gabathuler, E Gamet, R Kay, M Parry, RJ Payne, DJ Sloane, RJ Touramanis, C Back, JJ Harrison, PF Shorthouse, HW Strother, P Vidal, PB Brown, CL Cowan, G Flack, RL Flaecher, HU George, S Green, MG Kurup, A Marker, CE McMahon, TR Ricciardi, S Salvatore, F Vaitsas, G Winter, MA Brown, D Davis, CL Allison, J Barlow, RJ Forti, AC Hart, PA Hodgkinson, MC Jackson, F Lafferty, GD Lyon, AJ Weatherall, JH Williams, JC Farbin, A Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Flood, KT Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Sciolla, G Taylor, F Yamamoto, RK Mangeol, DJJ Patel, PM Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote-Ahern, D Hast, C Taras, P Nicholson, H Cartaro, C Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Paolucci, P Piccolo, D Sciacca, C Baak, MA Raven, G LoSecco, JM Gabriel, TA Brau, B Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Wong, QK Brau, J Frey, R Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Tiozzo, G Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Ocariz, J Pivk, M Roos, L Stark, J T'Jampens, S Therin, G Manfredi, PF Re, V Behera, PK Gladney, L Guo, QH Panetta, J Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Del Gamba, V Forti, F Giorgi, MA Lusiani, A Marchiori, G Martinez-Vidal, F Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Sandrelli, F Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lu, C Miftakov, V Olsen, J Smith, AJS Tanaka, HA Varnes, EW Bellini, F Cavoto, G Faccini, R Ferrarotto, E Ferroni, F Gaspero, M Mazzoni, MA Morganti, S Pierini, M Piredda, G Tehrani, FS Voena, C Christ, S Wagner, G Waldi, R Adye, T De Groot, N Franek, B Geddes, NI Gopal, GP Olaiya, EO Xella, SM Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Kozanecki, W Langer, M Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Yumiceva, FX Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Convery, MR Coupal, DP Dong, D Dorfan, J Dujmic, D Dunwoodie, W Field, RC Glanzman, T Gowdy, SJ Grauges-Pous, E Hadig, T Halyo, V Hryn'ova, T Innes, WR Jessop, CP Kelsey, MH Kim, P Kocian, ML Langenegger, U Leith, DWGS Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Petrak, S Ratcliff, BN Robertson, SH Roodman, A Salnikov, AA Schindler, RH Schwiening, J Simi, G Snyder, A Soha, A Stelzer, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Weinstein, AJR Wisniewski, WJ Wright, DH Young, CC Burchat, PR Edwards, AJ Meyer, TI Petersen, BA Roat, C Ahmed, S Alam, MS Ernst, JA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Borean, C Bosisio, L Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Panvini, RS Banerjee, S Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Band, HR Dasu, S Datta, M Eichenbaum, AM Johnson, JR Kutter, PE Li, H Liu, R Di Lodovico, F Mihalyi, A Mohapatra, AK Pan, Y Prepost, R Sekula, SJ von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Neal, H AF Aubert, B Barate, R Boutigny, D Gaillard, JM Hicheur, A Karyotakis, Y Lees, JP Robbe, P Tisserand, V Zghiche, A Palano, A Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kral, JF Kukartsev, G LeClerc, C Levi, ME Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Romosan, A Ronan, MT Shelkov, VG Telnov, AV Wenzel, WA Ford, K Harrison, TJ Hawkes, CM Knowles, DJ Morgan, SE Penny, RC Watson, AT Watson, NK Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schmuecker, H Steinke, M Barlow, NR Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Mackay, C Wilson, FF Abe, K Cuhadar-Donszelmann, T Hearty, C Mattison, TS McKenna, JA Thiessen, D Kyberd, P McKemey, AK Blinov, VE Bukin, AD Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Shen, BC del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HR Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Dahmes, B Kuznetsova, N Levy, SL Long, O Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Beringer, J Eisner, AM Heusch, CA Lockman, WS Schalk, T Schmitz, RE Schumm, BA Seiden, A Turri, M Walkowiak, W Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Abe, T Blanc, F Bloom, P Chen, S Clark, PJ Ford, WT Nauenberg, U Olivas, A Rankin, P Roy, J Smith, JG van Hoek, WC Zhang, L Harton, JL Hu, T Soffer, A Toki, WH Wilson, RJ Zhang, J Altenburg, D Brandt, T Brose, J Colberg, T Dickopp, M Dubitzky, RS Hauke, A Lacker, HM Maly, E Muller-Pfefferkorn, R Nogowski, R Otto, S Schubert, J Schubert, KR Schwierz, R Spaan, B Wilden, L Bernard, D Bonneaud, GR Brochard, F Cohen-Tanugi, J Grenier, P Thiebaux, C Vasileiadis, G Verderi, M Khan, A Lavin, D Muheim, F Playfer, S Swain, JE Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Treadwell, E Anulli, F Baldini-Ferroli, R Biasini, M Calcaterra, A de Sangro, R Falciai, D Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Pioppi, M Zallo, A Buzzo, A Capra, R Contri, R Crosetti, G Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Morii, M Won, E Bhimji, W Bowerman, DA Dauncey, PD Egede, U Eschrich, I Gaillard, JR Morton, GW Nash, JA Sanders, P Taylor, GP Grenier, GJ Lee, SJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Yi, J Davier, M Grosdidier, G Hocker, A Laplace, S Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Tantot, L Wormser, G Brigljevic, V Cheng, CH Lange, DJ Wright, DM Bevan, AJ Coleman, JP Fry, JR Gabathuler, E Gamet, R Kay, M Parry, RJ Payne, DJ Sloane, RJ Touramanis, C Back, JJ Harrison, PF Shorthouse, HW Strother, P Vidal, PB Brown, CL Cowan, G Flack, RL Flaecher, HU George, S Green, MG Kurup, A Marker, CE McMahon, TR Ricciardi, S Salvatore, F Vaitsas, G Winter, MA Brown, D Davis, CL Allison, J Barlow, RJ Forti, AC Hart, PA Hodgkinson, MC Jackson, F Lafferty, GD Lyon, AJ Weatherall, JH Williams, JC Farbin, A Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Flood, KT Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Sciolla, G Taylor, F Yamamoto, RK Mangeol, DJJ Patel, PM Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote-Ahern, D Hast, C Taras, P Nicholson, H Cartaro, C Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Paolucci, P Piccolo, D Sciacca, C Baak, MA Raven, G LoSecco, JM Gabriel, TA Brau, B Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Wong, QK Brau, J Frey, R Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Tiozzo, G Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Ocariz, J Pivk, M Roos, L Stark, J T'Jampens, S Therin, G Manfredi, PF Re, V Behera, PK Gladney, L Guo, QH Panetta, J Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Del Gamba, V Forti, F Giorgi, MA Lusiani, A Marchiori, G Martinez-Vidal, F Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Sandrelli, F Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lu, C Miftakov, V Olsen, J Smith, AJS Tanaka, HA Varnes, EW Bellini, F Cavoto, G Faccini, R Ferrarotto, E Ferroni, F Gaspero, M Mazzoni, MA Morganti, S Pierini, M Piredda, G Tehrani, FS Voena, C Christ, S Wagner, G Waldi, R Adye, T De Groot, N Franek, B Geddes, NI Gopal, GP Olaiya, EO Xella, SM Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Kozanecki, W Langer, M Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Yumiceva, FX Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Convery, MR Coupal, DP Dong, D Dorfan, J Dujmic, D Dunwoodie, W Field, RC Glanzman, T Gowdy, SJ Grauges-Pous, E Hadig, T Halyo, V Hryn'ova, T Innes, WR Jessop, CP Kelsey, MH Kim, P Kocian, ML Langenegger, U Leith, DWGS Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Petrak, S Ratcliff, BN Robertson, SH Roodman, A Salnikov, AA Schindler, RH Schwiening, J Simi, G Snyder, A Soha, A Stelzer, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Weinstein, AJR Wisniewski, WJ Wright, DH Young, CC Burchat, PR Edwards, AJ Meyer, TI Petersen, BA Roat, C Ahmed, S Alam, MS Ernst, JA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Borean, C Bosisio, L Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Panvini, RS Banerjee, S Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Band, HR Dasu, S Datta, M Eichenbaum, AM Johnson, JR Kutter, PE Li, H Liu, R Di Lodovico, F Mihalyi, A Mohapatra, AK Pan, Y Prepost, R Sekula, SJ von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Neal, H CA BaBar Collaboration TI Measurement of the branching fraction and polarization for the decay B- -> (DK*-)-K-*0 SO PHYSICAL REVIEW LETTERS LA English DT Article ID CP VIOLATION; ANGLE-GAMMA; MODES; ASYMMETRIES AB We present a study of the decay B- --> D*K-0*(-) based on a sample of 86 X 10(6) Y(4S) --> B (B) over bar decays collected with the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. We measure the branching fraction 23(B- --> D*K-0*(-)) = (8.3 +/- 1.1(stat) +/- 1.0(syst)) X 10(-4), and the fraction of longitudinal polarization in this decay to be Gamma(L)/Gamma = 0.86 +/- 0.06(stat) --> +/- 0.03(syst). C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Univ Bari, Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Univ Ferrara, Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Florida A&M Univ, Tallahassee, FL 32307 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Univ Genoa, Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 3BX, Merseyside, England. Queen Mary Univ London, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Lab Rene JA Levesque, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Lab Phys Nucl HE, F-75252 Paris, France. Univ Paris 07, F-75252 Paris, France. Univ Pavia, Dipartimento Elettron, I-27100 Pavia, Italy. Univ Pavia, Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Penn, Philadelphia, PA 19104 USA. Univ Pisa, Dipartimento Fis, Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Univ Trieste, Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Perugia, I-06100 Perugia, Italy. Univ Basilicata, I-85100 Potenza, Italy. Univ Valencia, CSIC, Inst Fis Corpuscular, IFIC, Valencia, Spain. RP Aubert, B (reprint author), Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Grancagnolo, Sergio/J-3957-2015; M, Saleem/B-9137-2013; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Della Ricca, Giuseppe/B-6826-2013; Levy, Stephen/C-3493-2011; Di Lodovico, Francesca/L-9109-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Negrini, Matteo/C-8906-2014; Luppi, Eleonora/A-4902-2015; Monge, Maria Roberta/G-9127-2012; crosetti, nanni/H-3040-2011; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Bellini, Fabio/D-1055-2009; Sarti, Alessio/I-2833-2012; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Cavallo, Nicola/F-8913-2012; Rotondo, Marcello/I-6043-2012; Neri, Nicola/G-3991-2012; Lista, Luca/C-5719-2008; de Sangro, Riccardo/J-2901-2012; Patrignani, Claudia/C-5223-2009; Forti, Francesco/H-3035-2011; Saeed, Mohammad Alam/J-7455-2012 OI Re, Valerio/0000-0003-0697-3420; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Cavoto, Gianluca/0000-0003-2161-918X; Negrini, Matteo/0000-0003-0101-6963; Luppi, Eleonora/0000-0002-1072-5633; Monge, Maria Roberta/0000-0003-1633-3195; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Bellini, Fabio/0000-0002-2936-660X; Sarti, Alessio/0000-0001-5419-7951; Peters, Klaus/0000-0001-7133-0662; Rotondo, Marcello/0000-0001-5704-6163; Neri, Nicola/0000-0002-6106-3756; de Sangro, Riccardo/0000-0002-3808-5455; Patrignani, Claudia/0000-0002-5882-1747; Forti, Francesco/0000-0001-6535-7965; Saeed, Mohammad Alam/0000-0002-3529-9255 NR 20 TC 78 Z9 78 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 141801 DI 10.1103/PhysRevLett.92.141801 PG 7 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500010 PM 15169483 ER PT J AU Aubert, B Barate, R Boutigny, D Gaillard, JM Hicheur, A Karyotakis, Y Lees, JP Robbe, R Tisserand, V Zghiche, A Palano, A Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kral, JF Kukartsev, G LeClerc, C Levi, ME Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Romosan, A Ronan, MT Shelkov, VG Telnov, AV Wenzel, WA Ford, K Harrison, TJ Hawkes, CM Knowles, DJ Morgan, SE Penny, RC Watson, AT Watson, NK Deppermann, T Goetzen, K Koch, H Lewandowski, B Pelizaeus, M Peters, K Schmuecker, H Steinke, M Barlow, NR Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Mackay, C Wilson, FF Abe, K Cuhadar-Donszelmann, T Hearty, C Mattison, TS McKenna, JA Thiessen, D Kyberd, P McKemey, AK Blinov, VE Bukin, AD Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Shen, BC del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Schwanke, U Sharma, V Berryhill, JW Campagnari, C Dahmes, B Kuznetsova, N Levy, SL Long, O Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Beringer, J Eisner, AM Heusch, CA Lockman, WS Schalk, T Schmitz, RE Schumm, BA Seiden, A Turri, M Walkowiak, W Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Abe, T Blanc, F Bloom, P Chen, S Clark, PJ Ford, WT Nauenberg, U Olivas, A Rankin, P Roy, J Smith, JG van Hoek, WC Zhang, L Harton, JL Hu, T Soffer, A Toki, WH Wilson, RJ Zhang, J Altenburg, D Brandt, T Brose, J Colberg, T Dickopp, M Dubitzky, RS Hauke, A Lacker, HM Maly, E Muller-Pfefferkorn, R Nogowski, R Otto, S Schubert, J Schubert, KR Schwierz, R Spaan, B Wilden, L Bernard, D Bonneaud, GR Brochard, F Cohen-Tanugi, J Grenier, P Thiebaux, C Vasileiadis, G Verderi, M Khan, A Lavin, D Muheim, F Playfer, S Swain, JE Tinslay, J Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Treadwell, E Anulli, F Baldini-Ferroli, R Biasini, M Calcaterra, A de Sangro, R Falciai, D Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Pioppi, M Zallo, A Buzzo, A Capra, R Contri, R Crosetti, G Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Morii, M Won, E Bhimji, W Bowerman, DA Dauncey, PD Egede, U Eschrich, I Gaillard, JR Morton, GW Nash, JA Sanders, P Taylor, GP Grenier, GJ Lee, SJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Yi, J Davier, M Grosdidier, G Hocker, A Laplace, S Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Tantot, L Wormser, G Brigljevic, V Cheng, CH Lange, DJ Wright, DM Bevan, AJ Coleman, JP Fry, JR Gabathuler, E Gamet, R Kay, M Parry, RJ Payne, DJ Sloane, RJ Touramanis, C Back, JJ Harrison, PF Shorthouse, HW Strother, P Vidal, PB Brown, CL Cowan, G Flack, RL Flaecher, HU George, S Green, MG Kurup, A Marker, CE McMahon, TR Ricciardi, S Salvatore, F Vaitsas, G Winter, MA Brown, D Davis, CL Allison, J Barlow, RJ Forti, AC Hart, PA Jackson, F Lafferty, GD Lyon, AJ Weatherall, JH Williams, JC Farbin, A Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Flood, KT Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Sciolla, G Taylor, F Yamamoto, RK Mangeol, DJJ Milek, M Patel, PM Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote-Ahern, D Hast, C Taras, P Nicholson, H Cartaro, C Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Paolucci, P Piccolo, D Sciacca, C Baak, MA Raven, G LoSecco, JM Gabriel, TA Brau, B Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Wong, QK Brau, J Frey, R Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Tiozzo, G Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Ocariz, J Pivk, M Roos, L Stark, J T'Jampens, S Therin, G Manfredi, PF Re, V Behera, PK Gladney, L Guo, QH Panetta, J Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Martinez-Vidal, F Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Sandrelli, F Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lu, C Miftakov, V Olsen, J Smith, AJS Tanaka, HA Varnes, EW Bellini, F Cavoto, G Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Mazzoni, MA Morganti, S Pierini, M Piredda, G Tehrani, FS Voena, C Christ, S Wagner, G Waldi, R Adye, T De Groot, N Franek, B Geddes, NI Gopal, GP Olaiya, EO Xella, SM Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Koanecki, W Langer, M Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Yumiceva, FX Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Convery, MR Coupal, DP Dong, D Dorfan, J Dujmic, D Dunwoodle, W Field, RC Glanzman, T Gowdy, SJ Grauges-Pous, E Hadig, T Halyo, V Hryn'ova, T Innes, WR Jessop, CP Kelsey, MH Kim, P Kocian, ML Langenegger, U Leith, DWGS Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Petrak, S Ratcliff, BN Robertson, SH Roodman, A Salnikov, AA Schindler, RH Schwiening, J Simi, G Snyder, A Soha, A Stelzer, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Weinstein, AJR Wisniewski, WJ Wright, DH Young, CC Burchat, PR Edwards, AJ Meyer, TI Petersen, BA Roat, C Ahmed, S Alam, MS Ernst, JA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Borean, C Bosisio, L Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Panvini, RS Banerjee, S Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Band, HR Dasu, S Datta, M Eichenbaum, AM Johnson, JR Kutter, PE Li, H Liu, R Di Lodovico, F Mihalyi, A Mohapatra, AK Pan, Y Prepost, R Sekula, SJ von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Neal, H AF Aubert, B Barate, R Boutigny, D Gaillard, JM Hicheur, A Karyotakis, Y Lees, JP Robbe, R Tisserand, V Zghiche, A Palano, A Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kral, JF Kukartsev, G LeClerc, C Levi, ME Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Romosan, A Ronan, MT Shelkov, VG Telnov, AV Wenzel, WA Ford, K Harrison, TJ Hawkes, CM Knowles, DJ Morgan, SE Penny, RC Watson, AT Watson, NK Deppermann, T Goetzen, K Koch, H Lewandowski, B Pelizaeus, M Peters, K Schmuecker, H Steinke, M Barlow, NR Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Mackay, C Wilson, FF Abe, K Cuhadar-Donszelmann, T Hearty, C Mattison, TS McKenna, JA Thiessen, D Kyberd, P McKemey, AK Blinov, VE Bukin, AD Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Shen, BC del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Schwanke, U Sharma, V Berryhill, JW Campagnari, C Dahmes, B Kuznetsova, N Levy, SL Long, O Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Beringer, J Eisner, AM Heusch, CA Lockman, WS Schalk, T Schmitz, RE Schumm, BA Seiden, A Turri, M Walkowiak, W Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Abe, T Blanc, F Bloom, P Chen, S Clark, PJ Ford, WT Nauenberg, U Olivas, A Rankin, P Roy, J Smith, JG van Hoek, WC Zhang, L Harton, JL Hu, T Soffer, A Toki, WH Wilson, RJ Zhang, J Altenburg, D Brandt, T Brose, J Colberg, T Dickopp, M Dubitzky, RS Hauke, A Lacker, HM Maly, E Muller-Pfefferkorn, R Nogowski, R Otto, S Schubert, J Schubert, KR Schwierz, R Spaan, B Wilden, L Bernard, D Bonneaud, GR Brochard, F Cohen-Tanugi, J Grenier, P Thiebaux, C Vasileiadis, G Verderi, M Khan, A Lavin, D Muheim, F Playfer, S Swain, JE Tinslay, J Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Treadwell, E Anulli, F Baldini-Ferroli, R Biasini, M Calcaterra, A de Sangro, R Falciai, D Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Pioppi, M Zallo, A Buzzo, A Capra, R Contri, R Crosetti, G Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Morii, M Won, E Bhimji, W Bowerman, DA Dauncey, PD Egede, U Eschrich, I Gaillard, JR Morton, GW Nash, JA Sanders, P Taylor, GP Grenier, GJ Lee, SJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Yi, J Davier, M Grosdidier, G Hocker, A Laplace, S Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Tantot, L Wormser, G Brigljevic, V Cheng, CH Lange, DJ Wright, DM Bevan, AJ Coleman, JP Fry, JR Gabathuler, E Gamet, R Kay, M Parry, RJ Payne, DJ Sloane, RJ Touramanis, C Back, JJ Harrison, PF Shorthouse, HW Strother, P Vidal, PB Brown, CL Cowan, G Flack, RL Flaecher, HU George, S Green, MG Kurup, A Marker, CE McMahon, TR Ricciardi, S Salvatore, F Vaitsas, G Winter, MA Brown, D Davis, CL Allison, J Barlow, RJ Forti, AC Hart, PA Jackson, F Lafferty, GD Lyon, AJ Weatherall, JH Williams, JC Farbin, A Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Flood, KT Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Sciolla, G Taylor, F Yamamoto, RK Mangeol, DJJ Milek, M Patel, PM Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote-Ahern, D Hast, C Taras, P Nicholson, H Cartaro, C Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Paolucci, P Piccolo, D Sciacca, C Baak, MA Raven, G LoSecco, JM Gabriel, TA Brau, B Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Wong, QK Brau, J Frey, R Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Tiozzo, G Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Ocariz, J Pivk, M Roos, L Stark, J T'Jampens, S Therin, G Manfredi, PF Re, V Behera, PK Gladney, L Guo, QH Panetta, J Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Martinez-Vidal, F Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Sandrelli, F Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lu, C Miftakov, V Olsen, J Smith, AJS Tanaka, HA Varnes, EW Bellini, F Cavoto, G Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Mazzoni, MA Morganti, S Pierini, M Piredda, G Tehrani, FS Voena, C Christ, S Wagner, G Waldi, R Adye, T De Groot, N Franek, B Geddes, NI Gopal, GP Olaiya, EO Xella, SM Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Koanecki, W Langer, M Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Yumiceva, FX Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Convery, MR Coupal, DP Dong, D Dorfan, J Dujmic, D Dunwoodle, W Field, RC Glanzman, T Gowdy, SJ Grauges-Pous, E Hadig, T Halyo, V Hryn'ova, T Innes, WR Jessop, CP Kelsey, MH Kim, P Kocian, ML Langenegger, U Leith, DWGS Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Petrak, S Ratcliff, BN Robertson, SH Roodman, A Salnikov, AA Schindler, RH Schwiening, J Simi, G Snyder, A Soha, A Stelzer, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Weinstein, AJR Wisniewski, WJ Wright, DH Young, CC Burchat, PR Edwards, AJ Meyer, TI Petersen, BA Roat, C Ahmed, S Alam, MS Ernst, JA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Borean, C Bosisio, L Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Panvini, RS Banerjee, S Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Band, HR Dasu, S Datta, M Eichenbaum, AM Johnson, JR Kutter, PE Li, H Liu, R Di Lodovico, F Mihalyi, A Mohapatra, AK Pan, Y Prepost, R Sekula, SJ von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Neal, H CA BABAR Collaboration TI Measurements of the mass and width of the eta(c) meson and of an eta(c)(2S) candidate SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM CHROMODYNAMICS; STATE; SPECTROSCOPY; ETA'(C); SEARCH; LEP AB The mass m(etac) and total width Gamma(tot)(etac) of the eta(c) meson have been measured in two-photon interactions at the SLAC e(+)e(-) asymmetric B Factory with the BABAR detector. With a sample of approximately 2500 reconstructed eta(c) --> (KSK+/-)-K-0 pi(-/+) decays in 88 fb(-1) of data, the results are m(etac) = 2982.5 +/- 1.1 (stat) +/- 0.9(syst) MeV/c(2) and Gamma(tot)(etac) = 34.3 +/- 2.3(stat) +/- 0.9(syst) MeV/c(2). Using the same decay mode, a second resonance with 112 +/- 24 events is observed with a mass of 3630.8 +/- 3.4(stat) +/- 1.0(syst) MeV/c(2) and width of 17.0 +/- 8.3(stat) +/- 2.5(syst) MeV/c(2). This observation is consistent with expectations for the eta(c)(2S) state. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Univ Bari, Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Univ Ferrara, Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Florida A&M Univ, Tallahassee, FL 32307 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Univ Genoa, Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 3BX, Merseyside, England. Univ London Queen Mary & Westfield Coll, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Lab Rene JA Levesque, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Paris 07, F-75252 Paris, France. Univ Pavia, Dipartimento Elettron, I-27100 Pavia, Italy. Univ Pavia, Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Penn, Philadelphia, PA 19104 USA. Univ Pisa, Dipartimento Fis, Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Univ Trieste, Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Perugia, I-06100 Perugia, Italy. Univ Basilicata, I-85100 Potenza, Italy. Univ Valencia, CSIC, Inst Fis Corpuscular, IFIC, Valencia, Spain. RP Aubert, B (reprint author), Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Lusiani, Alberto/A-3329-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Cavallo, Nicola/F-8913-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Luppi, Eleonora/A-4902-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Sarti, Alessio/I-2833-2012; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; crosetti, nanni/H-3040-2011; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; M, Saleem/B-9137-2013 OI Lusiani, Alberto/0000-0002-6876-3288; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Wilson, Robert/0000-0002-8184-4103; Raven, Gerhard/0000-0002-2897-5323; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Sarti, Alessio/0000-0001-5419-7951; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; NR 21 TC 82 Z9 83 U1 1 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 142002 DI 10.1103/PhysRevLett.92.142002 PG 7 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500012 PM 15089530 ER PT J AU Klein, SR Nystrand, J AF Klein, SR Nystrand, J TI Photoproduction of quarkonium in proton-proton and nucleus-nucleus collisions SO PHYSICAL REVIEW LETTERS LA English DT Article ID HADRON COLLIDERS; PARTICLES; HERA; J/PSI; QCD AB We discuss the photoproduction of Y and J/psi at high energy (p) over barp, pp, and heavy ion colliders. We predict large rates in (p) over barp interactions at the Fermilab Tevatron and in pp and heavy ion interactions at the CERN Large Hadron Collider. The J/psi is also produced copiously at the Relativistic Heavy Ion Collider. These reactions can be used to study the gluon distribution in protons and heavy nuclei. We also show that the different CP symmetries of the initial states lead to large differences in the transverse momentum spectra of mesons produced in (p) over barp vs pp collisions. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Bergen, Dept Phys, N-5007 Bergen, Norway. RP Klein, SR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 21 TC 60 Z9 60 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 142003 DI 10.1103/PhysRevLett.92.142003 PG 4 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500013 PM 15089531 ER PT J AU Luo, WK Sheng, HW Alamgir, FM Bai, JM He, JH Ma, E AF Luo, WK Sheng, HW Alamgir, FM Bai, JM He, JH Ma, E TI Icosahedral short-range order in amorphous alloys SO PHYSICAL REVIEW LETTERS LA English DT Article ID ORIENTATIONAL ORDER; LIQUID; GLASS; BULK; SIMULATION; SYMMETRY; PHASE; SPECTROSCOPY; SCATTERING; TRANSITION AB We have characterized the icosahedral short-range order in amorphous solids using local environment probes. Such topological local order is pronounced even in an amorphous alloy that does not form quasicrystalline phases upon crystallization, as demonstrated by the extended x-ray absorption fine structure and x-ray absorption near-edge structure of a Ni-Ag amorphous alloy analyzed through reverse Monte Carlo simulations. C1 Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Ma, E (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM ema@jhu.edu RI Ma, En/A-3232-2010; Sheng, Howard/B-2033-2013; Bai, Jianming/O-5005-2015; OI Alamgir, Faisal/0000-0002-0894-8096 NR 36 TC 139 Z9 141 U1 5 U2 45 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 145502 DI 10.1103/PhysRevLett.92.145502 PG 4 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500031 PM 15089549 ER PT J AU McQueeney, RJ Lawson, AC Migliori, A Kelley, TM Fultz, B Ramos, M Martinez, B Lashley, JC Vogel, SC AF McQueeney, RJ Lawson, AC Migliori, A Kelley, TM Fultz, B Ramos, M Martinez, B Lashley, JC Vogel, SC TI Unusual phonon softening in delta-phase plutonium SO PHYSICAL REVIEW LETTERS LA English DT Article ID DISPERSION CURVES; LIGHT ACTINIDES; SCATTERING; DYNAMICS; STATES; PU AB The phonon density of states and adiabatic sound velocities were measured on fcc-stabilized (242)pu(0.95)Al(0.05). The phonon frequencies and sound velocities decrease considerably (soften) with increasing temperature despite negligible thermal expansion. The frequency softening of the transverse branch along the [111] direction is anomalously large (similar to30%) and is very sensitive to alloy composition. The large magnitude of the phonon softening is not observed in any other fcc metals and may arise from an unusual temperature dependence of the electronic structure in this narrow 5f-band metal. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CALTECH, Dept Mat Sci & Engn, Pasadena, CA 91125 USA. RP McQueeney, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Lujan Center, LANL/G-4896-2012; McQueeney, Robert/A-2864-2016 OI McQueeney, Robert/0000-0003-0718-5602 NR 19 TC 44 Z9 44 U1 2 U2 13 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 146401 DI 10.1103/PhysRevLett.92.146401 PG 4 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500042 PM 15089560 ER PT J AU Rathbone, GJ Poliakoff, ED Bozek, JD Lucchese, RR AF Rathbone, GJ Poliakoff, ED Bozek, JD Lucchese, RR TI Observation of the symmetry-forbidden 5 sigma(u) -> k sigma(u) CS2 transition: A vibrationally driven photoionization resonance SO PHYSICAL REVIEW LETTERS LA English DT Article ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; BOND LENGTHS; PHOTOELECTRON-SPECTROSCOPY; SHELL PHOTOIONIZATION; SYNCHROTRON-RADIATION; PHOTO-IONIZATION; VALENCE-SHELL; SCATTERING; MODE AB Vibrationally resolved photoelectron spectroscopy and Schwinger calculations are used to characterize a new resonance phenomenon in the 5sigma(u) --> ksigma(u) photoionization of CS2. This resonant channel is symmetry forbidden, yet is observable because it is activated by the antisymmetric stretching vibration. In addition, we show that a Franck-Condon breakdown occurs even though the energy dependence of the cross section is insensitive to geometry changes, which is unprecedented in photoionization. C1 Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. RP Poliakoff, ED (reprint author), Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. EM epoliak@lsu.edu RI Bozek, John/E-4689-2010; Bozek, John/E-9260-2010 OI Bozek, John/0000-0001-7486-7238 NR 29 TC 12 Z9 12 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 9 PY 2004 VL 92 IS 14 AR 143002 DI 10.1103/PhysRevLett.92.143002 PG 4 WC Physics, Multidisciplinary SC Physics GA 815JB UT WOS:000221037500016 PM 15089534 ER PT J AU Marcy, TP Fahey, DW Gao, RS Popp, PJ Richard, EC Thompson, TL Rosenlof, KH Ray, EA Salawitch, RJ Atherton, CS Bergmann, DJ Ridley, BA Weinheimer, AJ Loewenstein, M Weinstock, EM Mahoney, MJ AF Marcy, TP Fahey, DW Gao, RS Popp, PJ Richard, EC Thompson, TL Rosenlof, KH Ray, EA Salawitch, RJ Atherton, CS Bergmann, DJ Ridley, BA Weinheimer, AJ Loewenstein, M Weinstock, EM Mahoney, MJ TI Quantifying stratospheric ozone in the upper troposphere with in situ measurements of HCl SO SCIENCE LA English DT Article ID LOWERMOST STRATOSPHERE; TRACER CORRELATIONS; HYDROGEN-CHLORIDE; AIRCRAFT; EXCHANGE; ALTITUDE; BALLOON; ER-2; HNO3; NOY AB We have developed a chemical ionization mass spectrometry technique for precise in situ measurements of hydrochloric acid (HCl) from a high-altitude aircraft. In measurements at subtropical latitudes, minimum HCl values found in the upper troposphere ( UT) were often near or below the detection limit of the measurements (0.005 parts per billion by volume), indicating that background HCl values are much lower than a global mean estimate. However, significant abundances of HCl were observed in many UT air parcels, as a result of stratosphere-to-troposphere transport events. We developed a method for diagnosing the amount of stratospheric ozone in these UT parcels using the compact linear correlation of HCl with ozone found throughout the lower stratosphere (LS). Expanded use of this method will lead to improved quanti. cation of cross-tropopause transport events and validation of global chemical transport models. C1 NOAA, Aeron Lab, Boulder, CO 80305 USA. Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Lawrence Livermore Natl Lab, Div Atmospher Sci, Livermore, CA 94550 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. Harvard Univ, Cambridge, MA 02138 USA. RP Marcy, TP (reprint author), NOAA, Aeron Lab, Boulder, CO 80305 USA. EM tmarcy@al.noaa.gov RI Salawitch, Ross/B-4605-2009; Bergmann, Daniel/F-9801-2011; Gao, Ru-Shan/H-7455-2013; Ray, Eric/D-5941-2013; Rosenlof, Karen/B-5652-2008; Fahey, David/G-4499-2013 OI Salawitch, Ross/0000-0001-8597-5832; Bergmann, Daniel/0000-0003-4357-6301; Ray, Eric/0000-0001-8727-9849; Rosenlof, Karen/0000-0002-0903-8270; Fahey, David/0000-0003-1720-0634 NR 36 TC 38 Z9 40 U1 1 U2 10 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD APR 9 PY 2004 VL 304 IS 5668 BP 261 EP 265 DI 10.1126/science.1093418 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 810QS UT WOS:000220719400038 PM 15073371 ER PT J AU Yamachika, R Grobis, M Wachowiak, A Crommie, MF AF Yamachika, R Grobis, M Wachowiak, A Crommie, MF TI Controlled atomic doping of a single C-60 molecule SO SCIENCE LA English DT Article ID SCANNING TUNNELING MICROSCOPE; ELECTRONIC-STRUCTURE; DOPED C-60; MONOLAYERS; SURFACE AB We report a method for controllably attaching an arbitrary number of charge dopant atoms directly to a single, isolated molecule. Charge-donating K atoms adsorbed on a silver surface were reversibly attached to a C-60 molecule by moving it over K atoms with a scanning tunneling microscope tip. Spectroscopic measurements reveal that each attached K atom donates a constant amount of charge ( similar to 0.6 electron charge) to the C-60 host, thereby enabling its molecular electronic structure to be precisely and reversibly tuned. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Crommie, MF (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM crommie@socrates.berkeley.edu NR 22 TC 71 Z9 72 U1 0 U2 24 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 9 PY 2004 VL 304 IS 5668 BP 281 EP 284 DI 10.1126/science.1095069 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 810QS UT WOS:000220719400044 PM 15016961 ER PT J AU Yamaguchi, S Tuzi, S Bowie, JU Saito, H AF Yamaguchi, S Tuzi, S Bowie, JU Saito, H TI Secondary structure and backbone dynamics of Escherichia coli diacylglycerol kinase, as revealed by site-directed solid-state C-13 NMR SO BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS LA English DT Article DE site-directed solid-state C-13 NMR; membrane protein; diacylglycerol kinase; backbone dynamic; backbone fluctuation ID INTEGRAL MEMBRANE-PROTEIN; NUCLEAR MAGNETIC-RESONANCE; TERMINAL ALPHA-HELIX; INTERHELICAL LOOPS; LIPID-BILAYERS; BACTERIORHODOPSIN; CONFORMATION; MOTIONS; RECONSTITUTION; FLUCTUATIONS AB To gain insight into secondary structure and backbone dynamics, we have recorded C-13 NMR spectra of [3- C-13]Ala-, [1-C-13]Val-labeled Escherichia coli diacylglycerol kinase (DGK), using cross-polarization-magic angle spinning (CP-MAS) and single-pulse excitation with dipolar decoupled-magic angle spinning (DD-MAS) methods. DGK was either solubilized in n-decyl-beta-maltoside (DM) micelle or integrated into 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) or 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayers. Surprisingly, the C-13 NMR spectra were broadened to yield rather featureless peaks at physiological temperatures, both in DM solution or lipid bilayers at liquid crystalline phase, due to interference of motional frequencies of DGK with frequencies of magic angle spinning (MAS) or proton decoupling (10(4) or 10(5) Hz, respectively). In gel phase lipids, however, up to six distinct (CNMR)-C-13 peaks were well-resolved due to lowered fluctuation frequencies (< 105 Hz) for the transmembrane region, the amphipathic a-helices and loops. While DGK can be tightly packed in gel phase lipids, DGK is less tightly packed at physiological temperatures, where it becomes more mobile. The fact that the enzymatic activity is low under conditions where motion is restricted and high when conformational fluctuations can occur suggests that acquisition of low frequency backbone motions, on the microsecond to millisecond time scale, may facilitate the efficient enzymatic activity of DGK. (C) 2003 Elsevier B.V. All rights reserved. C1 Himeji Inst Technol, Dept Life Sci, Kamigori, Hyogo 6781297, Japan. Univ Calif Los Angeles, Dept Chem & Biochem, Inst Mol Biol, DOE Lab Struct Biol & Mol Med, Los Angeles, CA 90095 USA. RP Yamaguchi, S (reprint author), Himeji Inst Technol, Dept Life Sci, Harima Sci Garden City, Kamigori, Hyogo 6781297, Japan. EM satoru@sci.himeji-tech.ac.jp; saito@sci.himeji-tech.ac.jp NR 40 TC 21 Z9 21 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1570-9639 J9 BBA-PROTEINS PROTEOM JI BBA-Proteins Proteomics PD APR 8 PY 2004 VL 1698 IS 1 BP 97 EP 105 DI 10.1016/j.bbapap.2003.10.013 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 811FF UT WOS:000220757100009 PM 15063319 ER PT J AU Ceotto, M Miller, WH AF Ceotto, M Miller, WH TI Test of the quantum instanton approximation for thermal rate constants for some collinear reactions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TRANSITION-STATE THEORY; MECHANICAL REACTION PROBABILITIES; PROTON-TRANSFER REACTIONS; PATH INTEGRAL METHODS; CHEMICAL-REACTIONS; POLAR ENVIRONMENT; DYNAMICS; SYSTEMS; H; REPRESENTATION AB Two variants of the recently developed quantum instanton (QI) model for calculating thermal rate constants of chemical reactions are applied to several collinear atom-diatom reactions with various skew angles. The results show that the original QI version of the model is consistently more accurate than the "simplest" quantum instanton version (both being applied here with one "dividing surface") and thus to be preferred. Also, for these examples (as with other earlier applications) the QI results agree well with the correct quantum rates (to within similar to20% or better) for all temperatures >200 K, except for situations where dynamical corrections to transition state theory (i.e., "re-crossing" dynamics) are evident. (Since re-crossing effects are substantially reduced in higher dimensionality, this is not a cause for serious concern.) A procedure is also described which facilitates use of the METROPOLIS algorithm for evaluating all quantities that appear in the QI rate expression by Monte Carlo path integral methods. (C) 2004 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Miller, WH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM miller@cchem.berkeley.edu RI Ceotto, Michele/C-6805-2009 OI Ceotto, Michele/0000-0002-8270-3409 NR 34 TC 27 Z9 27 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 8 PY 2004 VL 120 IS 14 BP 6356 EP 6362 DI 10.1063/1.1666064 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 806TO UT WOS:000220456400003 PM 15267524 ER PT J AU Uberuaga, BP Anghel, M Voter, AF AF Uberuaga, BP Anghel, M Voter, AF TI Synchronization of trajectories in canonical molecular-dynamics simulations: Observation, explanation, and exploitation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NONCHAOTIC BEHAVIOR; INFREQUENT EVENTS; DRIVEN SYSTEMS; TEMPERATURE AB For two methods commonly used to achieve canonical-ensemble sampling in a molecular-dynamics simulation, the Langevin thermostat and the Andersen [H. C. Andersen, J. Chem. Phys. 72, 2384 (1980)] thermostat, we observe, as have others, synchronization of initially independent trajectories in the same potential basin when the same random number sequence is employed. For the first time, we derive the time dependence of this synchronization for a harmonic well and show that the rate of synchronization is proportional to the thermostat coupling strength at weak coupling and inversely proportional at strong coupling with a peak in between. Explanations for the synchronization and the coupling dependence are given for both thermostats. Observation of the effect for a realistic 97-atom system indicates that this phenomenon is quite general. We discuss some of the implications of this effect and propose that it can be exploited to develop new simulation techniques. We give three examples: efficient thermalization (a concept which was also noted by Fahy and Hamann [S. Fahy and D. R. Hamann, Phys. Rev. Lett. 69, 761 (1992)]), time-parallelization of a trajectory in an infrequent-event system, and detecting transitions in an infrequent-event system. (C) 2004 American Institute of Physics. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Comp & Computat Sci Div, Los Alamos, NM 87545 USA. RP Uberuaga, BP (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM blas@lanl.gov NR 29 TC 60 Z9 60 U1 0 U2 25 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 8 PY 2004 VL 120 IS 14 BP 6363 EP 6374 DI 10.1063/1.1667473 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 806TO UT WOS:000220456400004 PM 15267525 ER PT J AU Kawano, A Guo, Y Thompson, DL Wagner, AF Minkoff, M AF Kawano, A Guo, Y Thompson, DL Wagner, AF Minkoff, M TI Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID LEAST-SQUARES METHODS; DYNAMICS AB We present a method for improving the accuracy and efficiency of interpolation methods, in which an analytical zeroth-order potential-energy surface is employed as a reference surface. To investigate and test the method, we apply it to hydrogen peroxide where there exists an accurate analytical surface which we take as the "exact" surface for obtaining the energies and derivatives for fitting and assessing the accuracy. Examples are given for four-dimensional and six-dimensional surfaces interpolated by using either the modified Shepard or second-degree interpolating moving least-squares approach, with comparisons for cases with and without using the zeroth-order potential. (C) 2004 American Institute of Physics. C1 Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Kawano, A (reprint author), Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA. NR 11 TC 31 Z9 35 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 8 PY 2004 VL 120 IS 14 BP 6414 EP 6422 DI 10.1063/1.1667458 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 806TO UT WOS:000220456400009 PM 15267530 ER PT J AU Kunikeev, SD Atilgan, E Taylor, HS Kaledin, AL Main, J AF Kunikeev, SD Atilgan, E Taylor, HS Kaledin, AL Main, J TI An application of error reduction and harmonic inversion schemes to the semiclassical calculation of molecular vibrational energy levels SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID INITIAL-VALUE REPRESENTATION; PHOTODISSOCIATION DYNAMICS; TIME; SIGNALS; SPECTROSCOPY; SIMULATIONS; FREEDOM AB A singular value decomposition based harmonic inversion signal processing scheme is applied to the semiclassical initial value representation (IVR) calculation of molecular vibrational states. Relative to usual IVR procedure of Fourier analysis of a signal made from the Monte Carlo evaluation of the phase space integral in which many trajectories are needed, the new procedure obtains acceptable results with many fewer trajectories. Calculations are carried out for vibrational energy levels of H2O to illustrate the overall procedure. (C) 2004 American Institute of Physics. C1 Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Stuttgart, Inst Theoret Phys 1, D-70550 Stuttgart, Germany. Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow 119899, Russia. RP Kunikeev, SD (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. EM kunikeev@usc.edu NR 31 TC 5 Z9 5 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 8 PY 2004 VL 120 IS 14 BP 6478 EP 6486 DI 10.1063/1.1652523 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 806TO UT WOS:000220456400016 PM 15267537 ER PT J AU Rosen, RS Wood, EC Wooldridge, PJ Thornton, JA Day, DA Kuster, W Williams, EJ Jobson, BT Cohen, RC AF Rosen, RS Wood, EC Wooldridge, PJ Thornton, JA Day, DA Kuster, W Williams, EJ Jobson, BT Cohen, RC TI Observations of total alkyl nitrates during Texas Air Quality Study 2000: Implications for O-3 and alkyl nitrate photochemistry SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE alkyl nitrates; ozone; thermal dissociation ID REACTIVE OXIDIZED NITROGEN; NONMETHANE ORGANIC-CARBON; HENRYS LAW CONSTANTS; IN-SITU; NORTH-ATLANTIC; FREE-RADICALS; WESTERN PACIFIC; OZONE FORMATION; CHEBOGUE POINT; BOUNDARY-LAYER AB [1] Observations of total alkyl nitrates (SigmaANs) were obtained using thermal dissociation-laser-induced fluorescence at La Porte, Texas, from 15 August to 15 September 2000, along with an extensive suite of other nitrogen oxides, hydrocarbons, and O-3. The SigmaAN mixing ratios ranged as high as 5.2 ppbv. The median midday mixing ratio was 1.2 ppbv, and the median nighttime mixing ratio was 0.26 ppbv. These are higher mixing ratios than the sum of individual nitrates in virtually every prior study. The diurnal variation of SigmaANs was similar to that of HNO3 and of total peroxy nitrates, with a peak near 1300 local time (LT) indicating a photochemical source. Mixing ratios decreased rapidly in the afternoon, suggesting that SigmaAN deposition is nearly as fast as HNO3 deposition. The observed correlation between O-3 and SigmaANs has a slope that increases from 29 (R-2 = 0.73) DeltaO(x)/DeltaSigmaANs at 0900 - 1200 LT to 41 (R-2 = 0.74) DeltaO(x)/DeltaSigmaANs at 1400 - 1800 LT. We present calculations constrained by the observed hydrocarbons showing that both the mixing ratio of SANs and the correlation of SigmaANs with O-3 are to be expected on the basis of the branching ratios for alkyl nitrate formation in the RO2 + NO reaction. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. NOAA, Aeron Lab, Boulder, CO 80303 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Energy & Environm Technol Div, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Chem, B64A Hildebrand Hall, Berkeley, CA 94720 USA. EM cohen@cchem.berkeley.edu RI Kuster, William/E-7421-2010; Cohen, Ronald/A-8842-2011; Williams, Eric/F-1184-2010; Thornton, Joel/C-1142-2009 OI Kuster, William/0000-0002-8788-8588; Cohen, Ronald/0000-0001-6617-7691; Thornton, Joel/0000-0002-5098-4867 NR 95 TC 48 Z9 48 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 8 PY 2004 VL 109 IS D7 AR D07303 DI 10.1029/2003JD004227 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 813OL UT WOS:000220916300003 ER PT J AU Neuefeind, J Soderholm, L Skanthakumar, S AF Neuefeind, J Soderholm, L Skanthakumar, S TI Experimental coordination environment of uranyl(VI) in aqueous solution SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID X-RAY-DIFFRACTION; CHEMICAL SPECIATION; CATION COMPLEXES; ION; WATER; URANIUM; SCATTERING; HYDRATION; PERCHLORATE; HYDROLYSIS AB The coordination environment of a molecular UO22+ ion in aqueous solution is determined with X-ray scattering and interpreted taking into account the electron redistribution around the uranyl ion. The data indicate that uranyl coordinated to five water molecules is the dominating species, although a small percentage of the uranyl ions are coordinated to four waters. We argue that our result, taken together with calculated relative stabilities of 4- and 5-coordinated UO22+, are consistent with a dynamic equilibrium that favors five coordinating H2O. The data further indicate that electron transfer from the uranium(VI) to the uranyl-oxygen is incomplete and that the effective charge of the uranium is less than indicated by its formal valence. In addition, a partial electron transfer from the hydrating waters to the uranium takes place, further lowering the effective charge of the uranium atom. The results described herein are in agreement with recent density functional calculations for an actinyl-water cluster embedded in a dielectric continuum. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60939 USA. RP Neuefeind, J (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60939 USA. EM neuefeind@anl.gov RI Neuefeind, Joerg/D-9990-2015 OI Neuefeind, Joerg/0000-0002-0563-1544 NR 55 TC 85 Z9 85 U1 3 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 8 PY 2004 VL 108 IS 14 BP 2733 EP 2739 DI 10.1021/jp037997n PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 809ME UT WOS:000220640000022 ER PT J AU Yang, M Somorjai, GA AF Yang, M Somorjai, GA TI Unusual hydrogen effect in olefin dehydrogenation: 1-methylcyclohexene dehydrogenation initiated by excess hydrogen over Pt(111) surfaces, a combined sum frequency generation spectroscopy and kinetic study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID VIBRATIONAL SPECTROSCOPY; N-ALKANES; CATALYTIC-REACTIONS; IN-SITU; ETHYLENE HYDROGENATION; BENZENE HYDROGENATION; UNSUPPORTED PALLADIUM; REACTION-MECHANISM; C-6 HYDROCARBONS; CRYSTAL-SURFACES AB Dehydrogenation and hydrogenation of 1-methylcyclohexene (C7H12) at 1.5 Torr on Pt(111) in the presence and absence of excess hydrogen were studied using gas chromatography and sum frequency generation vibrational spectroscopy. Kinetic studies showed that the turnover rate (TOR), in molecules per Pt atom per second, for the dehydrogenation to toluene (C7H8) in the presence of 15 Torr of H-2 increased continuously, starting at about 350 K. This onset temperature matches the onset temperature of the formation of the methylcyclohexenyl (C7H10 or C7H11) intermediates observed by SFG experiments, indicating that methylcyclohexenyl is a reactive surface intermediate in the dehydrogenation to toluene. In the absence of hydrogen, the TORs of the hydrogenation/dehydrogenation reactions were negligible at 403 K. When 15 Torr of H-2 was added, the dehydrogenation as well as the hydrogenation reactions began with constant rates (TOR = 0.042 and 0.016, respectively). This observation is consistent with an SFG measurement in which the methylcyclohexenyl intermediate was not detected until 5 Torr of H-2 was added to 1.5 Torr of 1-methylcyclohexene. In light of these results, we discuss the rate-limiting step and the role of excess hydrogen in the 1-methylcyclohexene dehydrogenation reaction. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@socrates.berkeley.edu NR 42 TC 12 Z9 12 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 8 PY 2004 VL 108 IS 14 BP 4405 EP 4410 DI 10.1021/jp036835o PG 6 WC Chemistry, Physical SC Chemistry GA 809MH UT WOS:000220640300029 ER PT J AU Kim, HC Praszalowicz, M AF Kim, HC Praszalowicz, M TI Magnetic moments of exotic pentaquarks in the chiral quark-soliton model SO PHYSICS LETTERS B LA English DT Article DE Theta(+); antidecuplet; magnetic moments; chiral soliton model ID JONA-LASINIO SOLITON; PERTURBATION-THEORY; SKYRME MODEL; LARGE-N; BARYONS; QUANTIZATION; DECUPLET; NUCLEON AB We investigate the magnetic moments of the baryon antidecuplet within the framework of the chiral quark-soliton model in the chiral limit, having fixed the dynamical parameters of the model by using the experimental data for those of the baryon octet. Sum rules for the magnetic moments are derived. The magnetic moment of Theta(+) is found to be about 0.2 similar to 0.3mu(N) (C) 2004 Elsevier B.V. All rights reserved. C1 Pusan Natl Univ, Dept Phys & Nucl Phys, Pusan 609735, South Korea. Pusan Natl Univ, Radiat Technol Inst, Pusan 609735, South Korea. Brookhaven Natl Lab, Nucl Theory Grp, Upton, NY 11973 USA. RP Kim, HC (reprint author), Pusan Natl Univ, Dept Phys & Nucl Phys, Pusan 609735, South Korea. EM hchkim@pusan.ac.kr RI Kim, Hyun-Chul/B-5189-2008; Praszalowicz, Michal/F-1912-2016 OI Kim, Hyun-Chul/0000-0002-8718-8661; NR 64 TC 39 Z9 39 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 8 PY 2004 VL 585 IS 1-2 BP 99 EP 105 DI 10.1016/j.physletb.2004.01.067 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 804SD UT WOS:000220317500013 ER PT J AU Beane, SR Bedaque, PF Parreno, A Savage, MJ AF Beane, SR Bedaque, PF Parreno, A Savage, MJ TI Two nucleons on a lattice SO PHYSICS LETTERS B LA English DT Article ID EFFECTIVE-FIELD THEORY; BIG-BANG NUCLEOSYNTHESIS; 2-NUCLEON SYSTEMS; SCATTERING; FORCES; DEUTERON; DEPENDENCE; STATES; VOLUME AB The two-nucleon sector is near an infrared fixed point of QCD and as a result the S-wave scattering lengths are unnaturally large compared to the effective ranges and shape parameters. It is usually assumed that a lattice QCD simulation of the two-nucleon sector will require a lattice that is much larger than the scattering lengths in order to extract quantitative information. In this Letter we point out that this does not have to be the case: lattice QCD simulations on much smaller lattices will produce rigorous results for nuclear physics. (C) 2004 Published by Elsevier B.V. C1 Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. Jefferson Lab, Newport News, VA 23606 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Savage, MJ (reprint author), Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. EM savage@phys.washington.edu NR 32 TC 138 Z9 138 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD APR 8 PY 2004 VL 585 IS 1-2 BP 106 EP 114 DI 10.1016/j.physletb.2004.02.007 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 804SD UT WOS:000220317500014 ER PT J AU Leinweber, DB Williams, AG Zhang, JB Lee, FX AF Leinweber, DB Williams, AG Zhang, JB Lee, FX TI Topological charge evolution in the Markov chain of QCD SO PHYSICS LETTERS B LA English DT Article ID ELLIPTIC OPERATORS; GAUGE-THEORIES; U(1); INDEX AB The topological charge is studied on lattices of large physical volume and fine lattice spacing. We illustrate how a parity transformation on the SU(3) link-variables of lattice gauge configurations reverses the sign of the topological charge and leaves the action invariant. Random applications of the parity transformation are proposed to traverse from one topological charge sign to the other. The transformation provides an improved unbiased estimator of the ensemble average and is essential in improving the ergodicity of the Markov chain process. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Adelaide, Dept Phys, Adelaide, SA 5005, Australia. Univ Adelaide, Special Res Ctr Subatom Struct Matter, Adelaide, SA 5005, Australia. George Washington Univ, Dept Phys, Ctr Nucl Studies, Washington, DC 20052 USA. Jefferson Lab, Newport News, VA 23606 USA. RP Leinweber, DB (reprint author), Univ Adelaide, Dept Phys, Adelaide, SA 5005, Australia. EM dleinweb@physics.adelaide.edu.au; anthony.williams@adelaide.edu.au; jzhang@physics.adelaide.edu.au; fxlee@gwu.edu RI Williams, Anthony/I-6698-2012; Leinweber, Derek/J-6705-2013; OI Leinweber, Derek/0000-0002-4745-6027; Williams, Anthony/0000-0002-1472-1592 NR 23 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 8 PY 2004 VL 585 IS 1-2 BP 187 EP 191 DI 10.1016/j.physletb.2004.02.008 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 804SD UT WOS:000220317500024 ER PT J AU Banerjee, S Hemraj-Benny, T Balasubramanian, M Fischer, DA Misewich, JA Wong, SS AF Banerjee, S Hemraj-Benny, T Balasubramanian, M Fischer, DA Misewich, JA Wong, SS TI Ozonized single-walled carbon nanotubes investigated using NEXAFS spectroscopy SO CHEMICAL COMMUNICATIONS LA English DT Article ID X-RAY-ABSORPTION; FINE-STRUCTURE; FUNCTIONALIZATION; CHEMISTRY AB The use of NEXAFS spectroscopy in studying the electronic structure and chemical composition of pristine, wet-air oxidized, and sidewall-ozonized nanotubes is illustrated. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. NIST, Mat Sci & Engn Lab, Gaithersburg, MD 20899 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu NR 17 TC 67 Z9 67 U1 1 U2 8 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. PD APR 7 PY 2004 IS 7 BP 772 EP 773 DI 10.1039/b315390h PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 816QL UT WOS:000221124300021 PM 15045056 ER PT J AU Zeng, XZ Mao, XL Wen, SB Greif, R Russo, RE AF Zeng, XZ Mao, XL Wen, SB Greif, R Russo, RE TI Energy deposition and shock wave propagation during pulsed laser ablation in fused silica cavities SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID SAMPLES AB Propagation of the shock wave generated during pulsed laser ablation in cavities was measured using laser shadowgraph imaging and compared with laser ablation on a flat surface. The cavities were fabricated in fused silica with the same diameter and variable depths to provide aspect ratios (depth/diameter) of 3 and 6. It was found that outside the cavity, after similar to30 ns the radius of the expanding shock wave was proportional to t(2/5), corresponding to a spherical blast wave as predicted by the Sedov-Taylor solution. The calculated pressures and temperatures of the shocked air outside of the cavities were higher than on the flat surface. The incident energy driving the shock wave outside the cavity was smaller than that on the flat surface; the greater the cavity aspect ratio, the smaller the energy supporting the shock wave. Plasma-wall interactions are discussed to explain the sharp decrease of the energy driving the shock wave outside the cavity. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Russo, RE (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 17 TC 35 Z9 36 U1 4 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2004 VL 37 IS 7 BP 1132 EP 1136 AR PII S0022-3727(04)74724-5 DI 10.1088/0022-3727/37/7/029 PG 5 WC Physics, Applied SC Physics GA 816KW UT WOS:000221109800029 ER PT J AU Fritz, SE Martin, SM Frisbie, CD Ward, MD Toney, MF AF Fritz, SE Martin, SM Frisbie, CD Ward, MD Toney, MF TI Structural characterization of a pentacene monolayer on an amorphous SiO2 substrate with grazing incidence X-ray diffraction SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID THIN-FILM TRANSISTORS; TRANSPORT; IDENTIFICATION; MORPHOLOGY; CRYSTALS C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Toney, MF (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, 421 Washington Ave SE, Minneapolis, MN 55455 USA. EM frisbie@cerns.umn.edu; wardx004@umn.edu; mftoney@slac.stanford.edu RI Frisbie, C Daniel/F-3995-2011; Martin, Stephen/D-5292-2013 NR 22 TC 309 Z9 309 U1 3 U2 87 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 7 PY 2004 VL 126 IS 13 BP 4084 EP 4085 DI 10.1021/ja049726b PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 809LB UT WOS:000220637100017 PM 15053579 ER PT J AU Leu, BM Zgierski, MZ Wyllie, GRA Scheidt, WR Sturhahn, W Alp, EE Durbin, SM Sage, JT AF Leu, BM Zgierski, MZ Wyllie, GRA Scheidt, WR Sturhahn, W Alp, EE Durbin, SM Sage, JT TI Quantitative vibrational dynamics of iron in nitrosyl porphyrins SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Review ID DENSITY-FUNCTIONAL THEORY; RESONANCE RAMAN-SPECTROSCOPY; SOLUBLE GUANYLATE-CYCLASE; NITRIC-OXIDE SYNTHASE; INELASTIC NEUTRON-SCATTERING; LYING SPIN STATES; AB-INITIO CALCULATIONS; HEME-PROTEINS; AXIAL LIGAND; SYNCHROTRON-RADIATION AB We use quantitative experimental and theoretical approaches to characterize the vibrational dynamics of the Fe atom in porphyrins designed to model heme protein active sites. Nuclear resonance vibrational spectroscopy (NRVS) yields frequencies, amplitudes, and directions for Fe-57 vibrations in a series of ferrous nitrosyl porphyrins, which provide a benchmark for evaluation of quantum chemical vibrational calculations. Detailed normal mode predictions result from DFT calculations on ferrous nitrosyl tetraphenylporphyrin Fe(TPP)(NO), its cation [Fe(TPP)(NO)]1, and ferrous nitrosyl porphine Fe(P)(NO). Differing functionals lead to significant variability in the predicted Fe-NO bond length and frequency for Fe(TPP)(NO). Otherwise, quantitative comparison of calculated and measured Fe dynamics on an absolute scale reveals good overall agreement, suggesting that DFT calculations provide a reliable guide to the character of observed Fe vibrational modes. These include a series of modes involving Fe motion in the plane of the porphyrin, which are rarely identified using infrared and Raman spectroscopies. The NO binding geometry breaks the four-fold symmetry of the Fe environment, and the resulting frequency splittings of the in-plane modes predicted for Fe(TPP)(NO) agree with observations. In contrast to expectations of a simple three-body model, mode energy remains localized on the FeNO fragment for only two modes, an N-O stretch and a mode with mixed Fe-NO stretch and FeNO bend character. Bending of the FeNO unit also contributes to several of the in-plane modes, but no primary FeNO bending mode is identified for Fe(TPP)(NO). Vibrations associated with hindered rotation of the NO and heme doming are predicted at low frequencies, where Fe motion perpendicular to the heme is identified experimentally at 73 and 128 cm(-1). Identification of the latter two modes is a crucial first step toward quantifying the reactive energetics of Fe porphyrins and heme proteins. C1 Northeastern Univ, Dept Phys, Boston, MA 02115 USA. Northeastern Univ, Ctr Interdisciplinary Res Complex Syst, Boston, MA 02115 USA. Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada. Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. RP Sage, JT (reprint author), Northeastern Univ, Dept Phys, Boston, MA 02115 USA. EM jtsage@neu.edu RI Leu, Bogdan/J-9952-2015 OI Leu, Bogdan/0000-0003-2020-0686 FU NIGMS NIH HHS [R29 GM052002, R01 GM052002, GM-52002, GM-38401, R01 GM038401] NR 169 TC 83 Z9 83 U1 10 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 7 PY 2004 VL 126 IS 13 BP 4211 EP 4227 DI 10.1021/ja038526h PG 17 WC Chemistry, Multidisciplinary SC Chemistry GA 809LB UT WOS:000220637100048 PM 15053610 ER PT J AU Takeda, N Poliakov, PV Cook, AR Miller, JR AF Takeda, N Poliakov, PV Cook, AR Miller, JR TI Faster dissociation: Measured rates and computed effects on barriers in aryl halide radical anions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Review ID INTRAMOLECULAR ELECTRON-TRANSFER; DENSITY-FUNCTIONAL THEORY; HOMOGENEOUS REDOX CATALYSIS; MOLECULAR-ORBITAL METHODS; CARBON HALOGEN BOND; VALENCE BASIS-SETS; PULSE-RADIOLYSIS; ELECTROCHEMICAL REACTIONS; AROMATIC HALIDES; GRIGNARD-REAGENTS AB Carbon-halogen bond dissociation rates for a series of aryl halide radical anions (ArX-.: X = Cl, Br) in NMP were measured at room temperature by pulse radiolysis with 10(-11) s time resolution. To obtain accurate dissociation rates, care was taken to measure and correct for competing decay channels. The observed rates correlated well with activation energies computed in the gas phase by density functional (DFT) calculations. The rates did not correlate well with electron affinities or dissociation energies obtained by the same computational methods, although such correlations are reported in the literature and are expected on the basis of simple models. The calculations also found that the transition state structures had bent carbon-halogen bonds. Bending enables large reductions of the activation energies by an electronic effect involving mixing of pi* and sigma* states. This bending-induced mixing is computed to increase the dissociation rates by a few orders of magnitude and is thus essential to understanding these reactions. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Miller, JR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM jrmiller@bnl.gov OI Cook, Andrew/0000-0001-6633-3447 NR 106 TC 43 Z9 43 U1 4 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 7 PY 2004 VL 126 IS 13 BP 4301 EP 4309 DI 10.1021/ja0389671 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 809LB UT WOS:000220637100058 PM 15053620 ER PT J AU Liu, Y Berti, D Faraone, A Chen, WR Alatas, A Sinn, H Alp, E Said, A Baglioni, P Chen, SH AF Liu, Y Berti, D Faraone, A Chen, WR Alatas, A Sinn, H Alp, E Said, A Baglioni, P Chen, SH TI Inelastic X-ray scattering studies of phonons in liquid crystalline DNA SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article; Proceedings Paper CT 17th Annual Meeting of the European-Colloid-and-Interface-Science-Society CY SEP 21-26, 2003 CL Florence, ITALY SP European Colloid & Interface Sci Soc ID LIPID-BILAYERS; HYDRATION; DYNAMICS; PHASES; IONS AB A high resolution X-ray scattering method is used to measure spectra of the collective density oscillations propagating along the axis of a rod-like supra-molecular system made of a shear-aligned columnar hexagonal liquid crystalline phase of DNA dispersed in water. The dynamic structure factor is extracted from the spectrum using a generalized three effective eigenmode (GTEE) theory. The dynamic structure factor consists of three Lorentzian lines, one central Rayleigh and two symmetrically shifted Brillouin peaks, from which the phonon frequency and damping can be obtained. We investigated two systems: a 40 wt.% calf-thymus Na-DNA of molecular weight 8.4 x 10(6) Da (13 000 base pairs) in water, and 40 wt.% Na-DNA in 0.085 M MgCl2. The phonon dispersion relations obtained show an oscillatory behavior as a function of Q (magnitude of the scattering vector) in the range of 2 nm(-1) to 30 nm(-1), similar to that obtained from lipid bilayers before. The dispersion relation of 40 wt.% DNA rods in pure water, for example, starts with a linear dispersion at low with a high-frequency sound speed of about 3100 m s(-1), similar to that observed in bulk water, reaching a maximum of omega = 12 meV at Q = 9 nm(-1), going down to a valley at Q = 18.7 nm(-1), coming up to a secondary (lower) maximum at Q = 25 nm-1 and eventually going down at Q = 30 nm-1. One major distinctive feature of the DNA systems from liquids is that the dispersion relation in the shear aligned DNA extends to a considerably higher Q than that observed in liquids. The extended range of Q includes values corresponding to those in the second Brillouin zone in a crystalline system. This latter feature implies that a DNA rod can be regarded approximately as a one-dimensional crystal, as far as the density oscillations are concerned. In the system with 40 wt.% Na-DNA in 0.085 M MgCl2, we observe a significantly greater phonon damping compared to the one in water. C1 MIT, Dept Nucl Engn, Cambridge, MA 02139 USA. Univ Florence, Dept Chem, I-50019 Florence, Italy. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chen, SH (reprint author), MIT, Dept Nucl Engn, Cambridge, MA 02139 USA. EM sowhsin@mit.edu RI Liu, Yun/A-2478-2010; Berti, Debora/G-6525-2011; Baglioni, Piero/B-1208-2011; Liu, Yun/F-6516-2012 OI Liu, Yun/0000-0002-0944-3153; Berti, Debora/0000-0001-8967-560X; Baglioni, Piero/0000-0003-1312-8700; Liu, Yun/0000-0002-0944-3153 NR 20 TC 11 Z9 11 U1 0 U2 3 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. PD APR 7 PY 2004 VL 6 IS 7 BP 1499 EP 1505 DI 10.1039/b314462n PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 818CH UT WOS:000221222700034 ER PT J AU Li, JH Bigelow, DJ Squier, TC AF Li, JH Bigelow, DJ Squier, TC TI Conformational changes within the cytosolic portion of phospholamban upon release of Ca-ATPase inhibition SO BIOCHEMISTRY LA English DT Article ID CARDIAC SARCOPLASMIC-RETICULUM; DEPENDENT PROTEIN-KINASE; ROTATIONAL-DYNAMICS; CALCIUM-PUMP; STRUCTURAL-CHANGES; ENERGY-TRANSFER; ADENOSINE-TRIPHOSPHATASE; PHOSPHORYLATION DOMAIN; DISTANCE DISTRIBUTIONS; CROSS-LINKING AB Phospholamban (PLB) is a major target of the beta-adrenergic cascade in the heart, functioning to modulate contractile force by altering the rate of calcium re-sequestration by the Ca-ATPase. Functionally, inhibition by PLB binding is manifested by shifts in the calcium dependence of Ca-ATPase activation toward higher calcium levels; phosphorylation of PLB by PKA reverses the inhibitory action of PLB. To investigate structural changes in the cytoplasmic portion of PLB that result from either the phosphorylation of PLB by cAMP-dependent protein kinase (PKA) or calcium binding to the Ca-ATPase, we have used frequency-domain fluorescence spectroscopy to measure the spatial separation and conformational heterogeneity between N-(l-pyrenyl)maleimide, covalently bound to a single cysteine (CyS24) engineered near the membrane surface of the transmembrane domain of PLB, and Tyr(6) in the cytosolic domain. Irrespective of calcium activation of the Ca-ATPase or phosphorylation of Ser(16) in PLB by PKA, we find that PLB remains tightly associated with the Ca-ATPase in a well-defined conformation. However, calcium activation of the Ca-ATPase induces an increase in the overall dimensions of the cytoplasmic portion of bound PLB, whereas PLB phosphorylation results in a more compact structure, consistent with increased helical content induced by a salt link between phospho-Ser(16) and Arg(13). Thus, enzyme activation of the Ca-ATPase may occur through different mechanisms: calcium binding to high-affinity sites within the Ca-ATPase functions to overcome conformational constraints imposed by PLB on the N-domain of the Ca-ATPase; alternatively, phosphorylation stabilizes the backbone fold of PLB to release inhibitory interactions with the Ca-ATPase. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Div Biol Sci, Cell Biol Grp, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Fundamental Sci Directorate, Div Biol Sci, Cell Biol Grp, POB 999,Mail Stop P7-53, Richland, WA 99352 USA. EM thomas.squier@pnl.gov FU NHLBI NIH HHS [HL64031] NR 65 TC 28 Z9 28 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 6 PY 2004 VL 43 IS 13 BP 3870 EP 3879 DI 10.1021/bi036183u PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 808PC UT WOS:000220580000013 PM 15049694 ER PT J AU Tang, J Fabbri, J Robinson, RD Zhu, YM Herman, IP Steigerwald, ML Brus, LE AF Tang, J Fabbri, J Robinson, RD Zhu, YM Herman, IP Steigerwald, ML Brus, LE TI Solid-solution nanopartieles: Use of a nonhydrolytic sol-gel synthesis to prepare HfO2 and HfxZr1-xO2 nanocrystals SO CHEMISTRY OF MATERIALS LA English DT Article ID ZIRCONIUM TITANATE GELS; TETRAGONAL ZIRCONIA; HAFNIA; PHASE; SIZE AB A nonhydrolytic sol-gel process closely following that of Hyeon et al. for the synthesis of ZrO2 nanocrystals (J. Am. Chem. Soc. 2003, 125, 6553-6557) was used to synthesize highly crystalline and monodisperse HfO2 nanoparticles. Reactions of hafnium isopropoxide with hafnium halides at high temperature in a strongly coordinating solvent yield nanometersized particles of HFO2. The size, shape, and crystalline phase of the hafnia particles depend on both the reaction temperature and the halide. The nonhydrolytic cross-condensation method was also extended to the binary metal oxides nanocrystals, i.e., HfO2-ZrO2, ZrO2- TiO2, and HfO2-TiO2. Efforts to prepare nanocrystals of HfxZr1-xO2 over a wide range of x were successful; however, this method could not be used to prepare either ZrxTi1-xO2 or HfxTi1-xO2. In conjunction with X-ray powder diffraction and high-resolution transmission electron microscopy, Raman spectroscopy identifies the structural phase of the nanocrystals and also proves the formation of the Hf-Zr solid solution nanoparticles via the cross-condensation method. In the case of HfxZr1-xO2, for x < 0.5, highly monodisperse, roughly spherical particles of tetragonal HfxZr1-xO2 were formed, while for x > 0.5, small nanorods of the monoclinic phase of the binary oxide were obtained. C1 Columbia Univ, Dept Chem, New York, NY 10027 USA. Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. Columbia Univ, Mat Res Sci & Engn Ctr, New York, NY 10027 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Steigerwald, ML (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. EM msteiger@chem.columbia.edu; brus@chem.columbia.edu NR 23 TC 96 Z9 96 U1 4 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 6 PY 2004 VL 16 IS 7 BP 1336 EP 1342 DI 10.1021/cm049945w PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 809KA UT WOS:000220634400027 ER PT J AU Sykora, RE Deakin, L Mar, A Skanthakumar, S Soderholm, L Albrecht-Schmitt, TE AF Sykora, RE Deakin, L Mar, A Skanthakumar, S Soderholm, L Albrecht-Schmitt, TE TI Isolation of intermediate-valent Ce(III)/Ce(IV) hydrolysis products in the preparation of cerium iodates: Electronic and structural aspects of Ce-2(IO3)(6)(OHx) (x approximate to 0 and 0.44) SO CHEMISTRY OF MATERIALS LA English DT Article ID TRANSITION-METAL IODATES; CRYSTAL-STRUCTURE; RARE-EARTH; OXIDATION-STATE; BEHAVIOR; CHEMISTRY; CE; PARAMETERS; CEROCENE; NITRATE AB The layered cerium iodates Ce-2(IO3)(6)(OHx) [x approximate to 0 (1) and 0.44 (2)] have been prepared from the reaction of (NH4)(2)Ce(NO3)(6) with I2O5 at 180 degreesC in aqueous media. The structure of these compounds consists of square antiprismatic Ce centers that are bound by bridging iodate anions and one bridging oxo anion. The structure of 2 differs from that of 1 in that the bridging oxo atom is partially protonated, resulting in significant lengthening of the Ce-O bond from 2.050(1) to 2.212(2) Angstrom. This protonation also results in partial reduction of 1 from a formally all Ce4+ compound to an intermediate-valent ion with both Ce3+ and Ce4+ that is visually observed with a color change in the crystals from bright yellow to dark brown for 1 and 2, respectively. Magnetic susceptibility measurements on 1 show there to be a small paramagnetic impurity phase that is consistent with about 1% Ce3+ in the sample. Similar measurements on 2 show that it contains at least 22% Ce3+, determined from a measured effective moment of 1.19(5) mu(B)/mol Ce. This result corresponds to a formulation of 2 as Ce-2(IO3)(6)(OH0.44). Analysis of Ce L-3-edge XANES spectra supports this formulation. UV-vis diffuse reflectance spectra indicate charge-transfer or delocalization of the 40 electrons in 2. These results are discussed in terms of an intermediate-valent state in 2 that is composed of f states on Ce and p states on the bridging, O. Crystallographic data (193 K): 1,6 orthorhombic, space group Pnma, a = 6.8297(4) Angstrom, b = 16.6725(9) Angstrom, c = 14,2487(8) Angstrom, Z = 4; 2, orthorhombic, space group Pnma, a = 6.8534(4) Angstrom, b = 16.989(1) Angstrom, c = 14.2404(8), Z = 4. C1 Auburn Univ, Dept Chem, Auburn, AL 36849 USA. Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Albrecht-Schmitt, TE (reprint author), Auburn Univ, Dept Chem, Auburn, AL 36849 USA. NR 53 TC 19 Z9 20 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 6 PY 2004 VL 16 IS 7 BP 1343 EP 1349 DI 10.1021/cm035147e PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 809KA UT WOS:000220634400028 ER PT J AU Locock, AJ Skanthakumar, S Burns, PC Soderholm, L AF Locock, AJ Skanthakumar, S Burns, PC Soderholm, L TI Syntheses, structures, magnetic properties, and X-ray absorption spectra of carnotite-type uranyl chromium(V) oxides: A[(UO2)(2)Cr2O8](H2O)(n) (A = K-2, Rb-2, Cs-2,Mg; n=0, 4) SO CHEMISTRY OF MATERIALS LA English DT Article ID CRYSTAL-STRUCTURE REFINEMENTS; BOND-VALENCE PARAMETERS; SPENT NUCLEAR-FUEL; COORDINATION CHEMISTRY; OXIDATION-STATE; SOLID-SOLUTION; SPECTROSCOPY; COMPLEXES; MINERALS; URANIUM AB Four uranyl chromium(V) oxides were synthesized by mild hydrothermal methods and their structures were solved using single-crystal X-ray diffraction data. In these structures, U occurs in edge-sharing dimers Of UO7 uranyl pentagonal bipyramids, and Cr occurs in edge-sharing dimers of CrO5 square pyramids. The two sets of dimers share edges, forming sheets of composition [(UO2)(2)Cr2O8](2-) that are topologically identical to uranyl divanadate sheets, [(UO2)(2)V2O8](2-), that occur in compounds of the carnotite group. K-2[(UO2)(2)Cr2O8] (KUCr), Rb-2[(UO2)(2)Cr2O8] (RbUCr), and CS2[(UO2)(2)Cr2O8] (CsUCr) are isostructural with K-2[(UO2)(2)V2O8], and Mg[(UO2)(2)Cr2O8](H2O)(4) (MgUCr) is isostructural with Ni[(UO2)(2)V2O8](H2O)(4). The stoichiometries of these compounds imply that Cr is present as chromium(V), which is supported by the results of bond valence analyses. EPR spectra and magnetic susceptibility data for KUCr are consistent with the presence of the d(1) cation chromium(V). The KUCr moments undergo a sharp transition from paramagnetic to antiferromagnetic behavior at TN = 18.5 K. XAFS data for the U L-3 edge and XANES of the Cr K edge of KUCr yield coordinations and oxidation states consistent with the crystal structure analysis. The presence of a pre-edge peak due solely to Cr5+ sounds a cautionary note for XANES determination of the chromate(VI) content of environmental samples. Crystallographic data for KUCr, RbUCr, CsUCr: monoclinic space group P2(1)/c (No. 14), with a = 6.5483(8) Angstrom, b = 8.3548(10) c = 10.4200(13) Angstrom, beta = 105.040(3)degrees- a 6.8677(6) Angstrom, b = 8.3599(7) Angstrom, c = 10.4625(8) Angstrom, beta = 106.004(2)degrees; and a = 7.2643(15) Angstrom, b = 8.3803(17) Angstrom, c = 10.5100(22) Angstrom, beta = 106.399(5)degrees, respectively. Crystal data for MgUCr: orthorhombic space group Pnma (No. 62), with a = 10.5825(19) Angstrom, b = 15.1337(27) Angstrom, c = 8.1425(14) Angstrom. C1 Univ Notre Dame, Dept Civil Engn & Geol Sci, Notre Dame, IN 46556 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Locock, AJ (reprint author), Univ Notre Dame, Dept Civil Engn & Geol Sci, 156 Fitzpatrick Hall, Notre Dame, IN 46556 USA. EM alocock@nd.edu RI Burns, Peter/J-3359-2013 NR 100 TC 16 Z9 16 U1 2 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 6 PY 2004 VL 16 IS 7 BP 1384 EP 1390 DI 10.1021/cm030639c PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 809KA UT WOS:000220634400034 ER PT J AU Maupin, PH Gilman, JW Harris, RH Bellayer, S Bur, AJ Roth, SC Murariu, M Morgan, AB Harris, JD AF Maupin, PH Gilman, JW Harris, RH Bellayer, S Bur, AJ Roth, SC Murariu, M Morgan, AB Harris, JD TI Optical probes for monitoring intercalation and exfoliation in melt-processed polymer nanocomposites SO MACROMOLECULAR RAPID COMMUNICATIONS LA English DT Article DE extrusion; fluorescence; nanocomposites; Nile Blue A; organoclay ID POLYMER/LAYERED SILICATE NANOCOMPOSITES; NYLON-6 CLAY NANOCOMPOSITES; FLUORESCENCE PROPERTIES; NILE BLUE; DISPERSION; STABILITY; SMECTITE AB Laser-induced fluorescence spectroscopy of the optical probe Nile Blue A in polymer clay nanocomposites is described. Concentration quenching of the fluorescence dominates the probe behavior until the clay platelets are physically separated by polymer intercalation. Further separation into an exfoliated structure results in a intense increase in probe fluorescence. Preliminary results indicate the ability to discriminate between intercalated and exfoliated structures in nanocomposites formed by melt processing. C1 US DOE, Off Basic Energy Sci, Off Sci, Washington, DC 20585 USA. Natl Inst Stand & Technol, Bldg & Fire Res Lab, Gaithersburg, MD 20899 USA. Natl Inst Stand & Technol, Div Engn & Mat Sci, Gaithersburg, MD 20899 USA. Univ Mons, Mat Nova Serv Mat Polymeres & Composites, B-7000 Mons, Belgium. Dow Chem Co USA, Midland, MI 48674 USA. RP Maupin, PH (reprint author), US DOE, Off Basic Energy Sci, Off Sci, Washington, DC 20585 USA. EM paul.maupin@science.doe.gov RI Morgan, Alexander/A-9672-2009 NR 22 TC 25 Z9 26 U1 1 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1336 J9 MACROMOL RAPID COMM JI Macromol. Rapid Commun. PD APR 6 PY 2004 VL 25 IS 7 BP 788 EP 792 DI 10.1002/marc.200300262 PG 5 WC Polymer Science SC Polymer Science GA 811LW UT WOS:000220774400002 ER PT J AU Biegon, A Fry, PA Paden, CM Alexandrovich, A Tsenter, J Shohami, E AF Biegon, A Fry, PA Paden, CM Alexandrovich, A Tsenter, J Shohami, E TI Dynamic changes in N-methyl-D-aspartate receptors after closed head injury in mice: Implications for treatment of neurological and cognitive deficits SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID TRAUMATIC BRAIN-INJURY; PERIPHERAL BENZODIAZEPINE-RECEPTORS; FOCAL CEREBRAL-ISCHEMIA; EXCITATORY AMINO-ACIDS; RAT-BRAIN; NMDA RECEPTORS; RECOGNITION MEMORY; METABOLIC-CHANGES; IN-VIVO; BINDING AB Traumatic brain injury is a leading cause of mortality and morbidity among young people. For the last couple of decades, it was believed that excess stimulation of brain receptors for the excitatory neurotransmitter glutamate was a major cause of delayed neuronal death after head injury, and several major clinical trials in severely head injured patients used blockers of the glutamate N-methyl-D-aspartate (NMDA) receptor. All of these trials failed to show efficacy. Using a mouse model of traumatic brain injury and quantitative autoradiography of the activity-dependent NMDA receptor antagonist MK801, we show that hyperactivation of glutamate NMDA receptors after injury is short-lived ( < 1 h) and is followed by a profound and long-lasting ( greater than or equal to 7 days) loss of function. Furthermore, stimulation of NMDA receptors by NMDA 24 and 48 h postinjury produced a significant attenuation of neurological deficits (blocked by coadministration of MK801) and restored cognitive performance 14 days postinjury. These results provide the underlying mechanism for the well known but heretofore unexplained short therapeutic window of glutamate antagonists after brain injury and support a pharmacological intervention with a relatively long ( greater than or equal to 24 h) time window easily attainable for treatment of human accidental head injury. C1 Univ Calif Berkeley, Dept Funct Imaging, Berkeley, CA 94720 USA. Montana State Univ, Dept Cell Biol & Neurosci, Bozeman, MT 59717 USA. Hebrew Univ Jerusalem, Dept Pharmacol, IL-91120 Jerusalem, Israel. Hebrew Univ Jerusalem, Rehabil Ctr haddasah Med Ctr, IL-91120 Jerusalem, Israel. RP Biegon, A (reprint author), Brookhaven Natl Lab, Bldg 490, Upton, NY 11973 USA. EM biegon@bnl.gov NR 58 TC 139 Z9 145 U1 0 U2 7 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 6 PY 2004 VL 101 IS 14 BP 5117 EP 5122 DI 10.1073/pnas.0305741101 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 811GU UT WOS:000220761200071 PM 15044697 ER PT J AU Boyack, KW AF Boyack, KW TI Mapping knowledge domains: Characterizing PNAS SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article; Proceedings Paper CT Colloquium on Mapping Knowledge Domains CY MAY 09-11, 2003 CL Natl Acad Sci & Engn, Arnold & Mable Beckman Ctr, Irvine, CA HO Natl Acad Sci & Engn, Arnold & Mable Beckman Ctr ID SCIENTIFIC JOURNALS; SCIENCE; INDICATORS; VISUALIZATION; NETWORKS; IMPACT; MAP; ISSUES AB A review of data mining and analysis techniques that can be used for the mapping of knowledge domains is given. Literature mapping techniques can be based on authors, documents, journals, words, and/or indicators. Most mapping questions are related to research assessment or to the structure and dynamics of disciplines or networks. Several mapping techniques are demonstrated on a data set comprising 20 years of papers published in PNAS. Data from a variety of sources are merged to provide unique indicators of the domain bounded by PNAS. By using funding source information and citation counts, it is shown that, on an aggregate basis, papers funded jointly by the U.S. Public Health Service (which includes the National Institutes of Health) and non-U.S. government sources outperform papers funded by other sources, including by the U.S. Public Health Service alone. Grant data from the National Institute on Aging show that, on average, papers from large grants are cited more than those from small grants, with performance increasing with grant amount. A map of the highest performing papers over the 20-year period was generated by using citation analysis. Changes and trends in the subjects of highest impact within the PNAS domain are described. Interactions between topics over the most recent 5-year period are also detailed. C1 Sandia Natl Labs, Computat Comp Informat & Math Ctr, Albuquerque, NM 87185 USA. RP Boyack, KW (reprint author), Sandia Natl Labs, Computat Comp Informat & Math Ctr, POB 5800, Albuquerque, NM 87185 USA. EM kboyack@sandia.gov OI Boyack, Kevin/0000-0001-7814-8951 NR 50 TC 47 Z9 50 U1 1 U2 23 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 6 PY 2004 VL 101 SU 1 BP 5192 EP 5199 DI 10.1073/pnas.0307509100 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 812EO UT WOS:000220823000003 PM 14963238 ER PT J AU Lubarda, VA Schneider, MS Kalantar, DH Remington, BA Meyers, MA AF Lubarda, VA Schneider, MS Kalantar, DH Remington, BA Meyers, MA TI Void growth by dislocation emission SO ACTA MATERIALIA LA English DT Article DE voids; vacancy diffusions; dislocation emission; laser; shock ID DUCTILE POROUS MATERIALS; DYNAMIC GROWTH; PLASTIC SOLIDS; NUCLEATION; CAVITATION; FRACTURE; COALESCENCE; COPPER; METALS; DEFORMATION AB Laser shock experiments conducted at an energy density of 61 MJ/m(2) 2 revealed void initiation and growth at stress application times of approximately 10 ns. It is shown that void growth cannot be accomplished by vacancy diffusion under these conditions, even taking into account shock heating. An alternative, dislocation-emission-based mechanism, is proposed for void growth. The shear stresses are highest at 45degrees to the void surface and decay with increasing distance from the surface. Two mechanisms accounting for the generation of geometrically necessary dislocations required for void growth are proposed: prismatic and shear loops. A criterion for the emission of a dislocation from the Surface of a void under remote tension is formulated, analogous to Rice and Thomson's criterion for crack blunting by dislocation emission from the crack tip. The critical stress is calculated for the emission of a single dislocation and a dislocation pair for any size of initial void. It is shown that the critical stress for dislocation emission decreases with increasing void size. Dislocations with a wider core are more easily emitted than dislocations with a narrow core. (C) 2003 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lubarda, VA (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM vlubarda@ucsd.edu RI Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 NR 58 TC 128 Z9 133 U1 8 U2 49 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD APR 5 PY 2004 VL 52 IS 6 BP 1397 EP 1408 DI 10.1016/j.actamat.2003.11.022 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 809DX UT WOS:000220618500003 ER PT J AU Wang, ZQ McCabe, RJ Ghoniem, NM LeSar, R Misra, A Mitchell, TE AF Wang, ZQ McCabe, RJ Ghoniem, NM LeSar, R Misra, A Mitchell, TE TI Dislocation motion in thin Cu foils: a comparison between computer simulations and experiment SO ACTA MATERIALIA LA English DT Article DE discrete dislocation dynamics; transmission electron microscopy; copper; dislocation motion; cross-slip; surface image force ID BCC SINGLE-CRYSTALS; ELASTIC FIELD; PLASTIC-DEFORMATION; MESOSCOPIC SCALE; FCC METALS; CROSS-SLIP; DYNAMICS; SURFACES AB Discrete dislocation dynamics (DD) simulations in conjunction with stereo and in situ straining transmission electronic rnicroscopy (TEM) were used to study dislocation motion in thin Cu foils. Stereo imaging prior to and following in situ tensile straining is utilized to describe the three-dimensional (3D) evolution of dislocation structures with incremental straining and observation by TEM. The initial 3D configuration is used as input for 3D discrete dislocation dynamics simulations, and the final 3D configuration serves to refine and validate the DD simulation, thereby providing a direct quantitative link between experiment and dislocation dynamics modeling. In the present experiment, we observed complex 3D structures of dislocations, with significant out-of-plane motion. Computer simulations incorporating the Friedel-Escaig cross-slip mechanism indicate that surface image forces are sufficiently strong to activate out-of-plane motion for screw dislocation segments near the surface. Cross-slip of screw segments and dislocation climb of edge components are shown to be necessary mechanisms for explaining the observed 3D dislocation motion. (C) 2003 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA. RP Wang, ZQ (reprint author), Univ Calif Los Angeles, Dept Mech & Aerosp Engn, 420 Westwood Pl, Los Angeles, CA 90095 USA. EM zhiqiang@seas.ucla.edu RI Ghoniem, Nasr/A-9799-2008; LeSar, Richard/G-1609-2012 NR 27 TC 19 Z9 19 U1 2 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR 5 PY 2004 VL 52 IS 6 BP 1535 EP 1542 DI 10.1016/j.actamat.2003.12.005 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 809DX UT WOS:000220618500015 ER PT J AU Byun, TS Farrell, K AF Byun, TS Farrell, K TI Plastic instability in polycrystalline metals after low temperature irradiation SO ACTA MATERIALIA LA English DT Article DE polycrystalline metals; irradiation hardening; plastic instability stress; dose to plastic instability at yield ID TARGET CONTAINER MATERIALS; WORK HARDENED STATE; NEUTRON-IRRADIATION; MECHANICAL-PROPERTIES; TENSILE PROPERTIES; ELEVATED-TEMPERATURE; INTERSTITIAL LOOPS; STAINLESS-STEELS; SINGLE-CRYSTALS; COPPER CRYSTALS AB The dose dependence of plastic instability behavior has been investigated for polycrystalline metals after neutron irradiation at low temperatures (<200 degreesC). The analyzed materials consist of 10 body-centered cubic (bcc), 7 face-centered cubic (fee), and 2 hexagonal close packed (hcp) metals. It was found that the metals after irradiation showed necking at yield when the yield stress exceeded the true plastic instability stress, sigma(1S), for the unirradiated material. It was also shown that sigma(1S) was almost independent of dose below a critical dose. The critical dose is called the dose to plastic instability at yield, D-C, because at higher doses the material shows necking at yield. The D-C values ranged from 0.002 to 0.2 dpa for bee and hcp metals, except for a high purity iron, that had a DC value of 6 dpa; whereas the fcc metals gave generally high values ranging from 0.1 to 40 dpa. It is attempted to explain the dose independence of the plastic instability stress by a straightforward shifting of tensile curves by the appropriate strain corresponding to the radiation-induced increase in yield stress. The dose independence of strain-hardening behavior suggests that radiation-induced defects and deformation-produced dislocations give similar net strain-hardening effects. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008,1 Bethel Valley Rd,MS-6151, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov NR 48 TC 67 Z9 67 U1 4 U2 39 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR 5 PY 2004 VL 52 IS 6 BP 1597 EP 1608 DI 10.1016/j.actamat.2003.12.023 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 809DX UT WOS:000220618500021 ER PT J AU Boyce, BL Michael, JR Kotula, PG AF Boyce, BL Michael, JR Kotula, PG TI Fatigue of metallic microdevices and the role of fatigue-induced surface oxides SO ACTA MATERIALIA LA English DT Article DE fatigue; nickel; electroplating; oxidation; analytical electron microscopy ID COPPER SINGLE-CRYSTALS; CONSTANT STRAIN AMPLITUDE; CRACK-GROWTH-BEHAVIOR; MICROSYSTEMS; LIGA; SLIP; LOCALIZATION; MORPHOLOGY; TESTS AB A new method for fatigue testing of metallic micro-electro-mechanical systems has been developed and applied to characterize the high-cycle fatigue behavior of nickel microspecimens formed by the LIGA process. Cantilever microbeams with a cross-section of 26 x 250 mum were tested under fully reversed loading conditions at 20 Hz. The observed stress-life curve and fatigue limit was similar to what has typically been reported for conventional bulk nickel. SEM inspection of the fatigue surface revealed that failure initiated in zones of localized extrusions and intrusions associated with persistent slip bands (PSBs). Focused ion beam machining was used to extract a cross-sectional TEM foil from the deformation zone, revealing an unexpected thick (up to 400 nm) oxide on the surface of the PSBs. This PSB oxide thickening mechanism appears to be the source of crack initiation. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Sandia Natl Labs, Mat & Proc Sci Ctr, Albuquerque, NM 87185 USA. RP Boyce, BL (reprint author), Sandia Natl Labs, Mat & Proc Sci Ctr, POB 5800,MS 0889, Albuquerque, NM 87185 USA. EM blboyce@sandia.gov RI Boyce, Brad/H-5045-2012; Kotula, Paul/A-7657-2011 OI Boyce, Brad/0000-0001-5994-1743; Kotula, Paul/0000-0002-7521-2759 NR 28 TC 40 Z9 40 U1 2 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR 5 PY 2004 VL 52 IS 6 BP 1609 EP 1619 DI 10.1016/j.actamat.2003.12.032 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 809DX UT WOS:000220618500022 ER PT J AU Trasobares, S Ewels, CP Birrell, J Stephan, D Wei, BQQ Carlisle, JA Miller, D Keblinski, P Ajayan, PM AF Trasobares, S Ewels, CP Birrell, J Stephan, D Wei, BQQ Carlisle, JA Miller, D Keblinski, P Ajayan, PM TI Carbon nanotubes with graphitic wings SO ADVANCED MATERIALS LA English DT Article ID HYDROGEN; COMPOSITES; PLASMAS; FIELD; ROUTE AB Graphitic platelets (wings) on carbon nanotubes are produced using a new two-step chemical vapor deposition method (see Figure and inside cover). Chemical attack during the process, aided by curvature-induced strain, rips open the outer nanotube walls and produces an irregular and corrugated surface. The new morphology, which presents a highly modulated and active nanotube surface, could facilitate posterior functionalization or direct composite fabrication. C1 Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. Off Natl Etud & Rech Aerosp, DMSC, F-92322 Chatillon, France. Univ Paris 11, Phys Solides Lab, F-91405 Orsay, France. RP Trasobares, S (reprint author), Argonne Natl Lab, Div Sci Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM strasobares@anl.gov RI Wei, Bingqing/A-4525-2008; Ewels, Chris/A-1543-2012; Trasobares, Susana/H-5282-2015 OI Wei, Bingqing/0000-0002-9416-1731; Ewels, Chris/0000-0001-5530-9601; Trasobares, Susana/0000-0003-3820-4327 NR 21 TC 27 Z9 27 U1 0 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD APR 5 PY 2004 VL 16 IS 7 BP 610 EP + DI 10.1002/adma.200306459 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 816YF UT WOS:000221144500009 ER PT J AU Eichler, C Hofstetter, D Chow, WW Miller, S Weimar, A Lell, A Harle, V AF Eichler, C Hofstetter, D Chow, WW Miller, S Weimar, A Lell, A Harle, V TI Microsecond time scale lateral-mode dynamics in a narrow stripe InGaN laser SO APPLIED PHYSICS LETTERS LA English DT Article ID DIODES AB Time-resolved measurements of the spectrum and the far field of InGaN-based laser diodes show lateral-mode changes and gradual tilting of the far field on a microsecond time scale. Numerical simulations based on a microscopic theory are in good agreement with the measurements. The observed effects are attributed to lateral carrier diffusion in combination with thermal lensing. (C) 2004 American Institute of Physics. C1 Univ Ulm, Optoelect Dept, D-89069 Ulm, Germany. Univ Neuchatel, Inst Phys, CH-2000 Neuchatel, Switzerland. Sandia Natl Labs, Albuquerque, NM 87185 USA. OSRAM Opto Semicond, D-93049 Regensburg, Germany. RP Eichler, C (reprint author), Univ Ulm, Optoelect Dept, D-89069 Ulm, Germany. NR 6 TC 12 Z9 13 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2473 EP 2475 DI 10.1063/1.1691497 PG 3 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800001 ER PT J AU Kumar, S Williams, BS Kohen, S Hu, Q Reno, JL AF Kumar, S Williams, BS Kohen, S Hu, Q Reno, JL TI Continuous-wave operation of terahertz quantum-cascade lasers above liquid-nitrogen temperature SO APPLIED PHYSICS LETTERS LA English DT Article AB We report cw operation of a quantum-cascade laser at 3.2 THz (lambdaapproximate to94 mum) up to a heat-sink temperature of 93 K. Resonant longitudinal-optical phonon scattering is used to depopulate the lower radiative state and a low-loss metal-metal waveguide is used to provide high modal confinement. Optical powers of similar to1.8 mW at 10 K and similar to400 muW at 78 K are observed from a single facet of a 40-mum-wide and 1.35-mm-long laser device. A threshold current density of 432 A/cm(2) at 10 K and 552 A/cm(2) at 78 K was obtained in cw mode. The same device lased up to 129 K in pulsed mode with a threshold current density of 419 A/cm(2) at 5 K. (C) 2004 American Institute of Physics. C1 MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. MIT, Elect Res Lab, Cambridge, MA 02139 USA. Sandia Natl Labs, Dept 1123, Albuquerque, NM 87185 USA. RP Kumar, S (reprint author), MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. EM qhu@mit.edu RI Williams, Benjamin/B-4494-2013 OI Williams, Benjamin/0000-0002-6241-8336 NR 13 TC 162 Z9 166 U1 8 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2494 EP 2496 DI 10.1063/1.1695099 PG 3 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800008 ER PT J AU Prater, WL Allen, EL Lee, WY Toney, MF Daniels, J Hedstrom, JA AF Prater, WL Allen, EL Lee, WY Toney, MF Daniels, J Hedstrom, JA TI Reduction of resistivity in Cu thin films by partial oxidation: Microstructural mechanisms SO APPLIED PHYSICS LETTERS LA English DT Article ID MAGNETORESISTANCE SPIN VALVES; OXYGEN; SCATTERING; THICKNESS; GROWTH AB We report on the electrical resistance and microstructure of sputter deposited copper thin films grown in an oxygen containing ion-beam sputtering atmosphere. For films thinner than 5 nm, 6%-10% oxygen causes a minimum in film resistivity, while for thicker films, there is a monotonic increase in resistivity. X-ray reflectivity measurements show significantly smoother films for these oxygen flow rates. X-ray diffraction shows that the oxygen doping causes a refinement of the copper grain size and the formation of cuprous oxide. We suggest that the formation of cuprous oxide limits copper grain growth, which causes smoother interfaces, and thus reduces resistivity by increasing specular scattering of electrons at interfaces. (C) 2004 American Institute of Physics. C1 San Jose State Univ, Dept Chem & Mat Engn, San Jose, CA 95192 USA. Hitachi Global Storage Technol, San Jose, CA 95193 USA. Stanford Synchrotron Radiat Lab, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. RP Prater, WL (reprint author), San Jose State Univ, Dept Chem & Mat Engn, 1 Washington Sq, San Jose, CA 95192 USA. EM masterprater@aol.com NR 15 TC 9 Z9 10 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2518 EP 2520 DI 10.1063/1.1691500 PG 3 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800016 ER PT J AU Poelsema, B Hannon, JB Bartelt, NC Kellogg, GL AF Poelsema, B Hannon, JB Bartelt, NC Kellogg, GL TI Bulk-surface vacancy exchange on Pt(111) SO APPLIED PHYSICS LETTERS LA English DT Article AB We have used low-energy electron microscopy to study atomic exchange between the bulk and the (111) surface of Pt above 1100 K. We find that the area of two-dimensional surface islands increases when the temperature is raised and decreases when the temperature is lowered, suggesting that thermal bulk vacancies are created at the surface. By measuring the temperature dependence of the change in area of the islands, we determine a Pt bulk vacancy formation energy of 1.54+/-0.07 eV, consistent with previous measurements and calculations. (C) 2004 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Twente, MESA Res Inst, NL-7500 AE Enschede, Netherlands. IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM glkello@sandia.gov RI Bartelt, Norman/G-2927-2012 NR 8 TC 14 Z9 14 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2551 EP 2553 DI 10.1063/1.1695434 PG 3 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800027 ER PT J AU Jeong, BS Heo, YW Norton, DP Kelly, JG Rairigh, R Hebard, AF Budai, JD Park, YD AF Jeong, BS Heo, YW Norton, DP Kelly, JG Rairigh, R Hebard, AF Budai, JD Park, YD TI Spatial distribution and electronic state of Co in epitaxial anatase CoxTi1-xO2 thin films grown by reactive sputtering SO APPLIED PHYSICS LETTERS LA English DT Article ID FERROMAGNETISM; SEMICONDUCTOR; SPINTRONICS; (GA,MN)AS AB The magnetic and phase properties of CoxTi1-xO2 anatase thin films grown epitaxially on (001) LaAlO3 by a reactive rf magnetron cosputter deposition have been examined. CoxTi1-xO2 (x=0.07) thin films exhibit room-temperature ferromagnetism, as evidenced by hysteresis in M-H loop. Chemical mapping indicates segregation of the Co dopant atoms in these films. However, x-ray photoelectron spectroscopy suggests that the segregated Co is not metallic, but in the Co+2 state. These results are consistent with a segregated Ti-Co-O phase being responsible for the ferromagnetic behavior. (C) 2004 American Institute of Physics. C1 Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. Seoul Natl Univ, Sch Phys, Seoul 151747, South Korea. RP Norton, DP (reprint author), Univ Florida, Dept Mat Sci & Engn, 100 Rhines Hall,POB 116400, Gainesville, FL 32611 USA. EM dnort@mse.ufl.edu RI Park, Yun/A-9559-2008; Budai, John/R-9276-2016 OI Park, Yun/0000-0001-7699-0432; Budai, John/0000-0002-7444-1306 NR 16 TC 57 Z9 61 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2608 EP 2610 DI 10.1063/1.1691499 PG 3 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800046 ER PT J AU Han, WQ Zettl, A AF Han, WQ Zettl, A TI Nanocrystal cleaving SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOTUBES AB We report on the virtually perfect cleaving of a nanoscale crystal within the confines of an atomically smooth-bore BN nanotube, performed in situ inside a high-resolution transmission electron microscope. The cleaving-induced gap region between the two nanocrystal subunits could then represent a near-perfect (i.e., atom-free) vacuum. (C) 2004 American Institute of Physics. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@socrates.berkeley.edu RI Han, WQ/E-2818-2013; Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X NR 5 TC 7 Z9 7 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 5 PY 2004 VL 84 IS 14 BP 2644 EP 2645 DI 10.1063/1.1695635 PG 2 WC Physics, Applied SC Physics GA 808RS UT WOS:000220586800058 ER PT J AU Rocha, RC Shreve, AP AF Rocha, RC Shreve, AP TI Exploring the localized-to-delocalized boundary in mixed-valence systems using infrared spectroelectrochemistry SO INORGANIC CHEMISTRY LA English DT Article ID VIBRATIONAL-SPECTRA; ELECTRON-TRANSFER; TRANSITION; CLUSTERS AB Infrared spectroelectrochemistry has been used to explore the vibrational properties of a pyrazine-bridged osmium-polypyridine dimer as a function of its formally metal-centered oxidation states (i.e., (OsOsII)-Os-II, (OsOsIII)-Os-II, and (OsOsIII)-Os-III). The infrared spectrum of the "mixed-valent" species is particularly interesting and exhibits features consistent with both electronic localization and delocalization on the vibrational time scale, as revealed by the presence of both (i) a highly active totally symmetric mode from the bridging pyrazine ligand (v(8a)) and (ii) total coalescence of at least four modes from peripheral bipyridine ligands. The nature and origin of the observed peaks were confirmed by analysis of the shifts in vibrational frequencies accompanying deuteration of pyrazine and also by comparison of the data for the dimeric complexes with those for the parent monomers. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Shreve, AP (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop G755, Los Alamos, NM 87545 USA. EM shreve@lanl.gov NR 12 TC 9 Z9 9 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 5 PY 2004 VL 43 IS 7 BP 2231 EP 2233 DI 10.1021/ic0354771 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 808QL UT WOS:000220583500004 PM 15046493 ER PT J AU Neuefeind, J Skanthakumar, S Soderholm, L AF Neuefeind, J Skanthakumar, S Soderholm, L TI Structure of the UO22+-SO42- ion pair in aqueous solution SO INORGANIC CHEMISTRY LA English DT Article ID URANYL SULFATE; WATER; URANIUM; COMPLEXES; GERMANIA; CRYSTAL; SYSTEM; BINARY; SILICA AB The structure of the ion pairs formed in aqueous uranyl sulfate solutions has been investigated with high-energy X-ray scattering. Sulfate binds to the uranyl as a monodentate ligand in equimolar solutions. The geometry of the ion pair is very similar to configurations found in crystalline structures; in particular, the U-O-S angle is bent in solution as well as in the solid state. It can therefore be concluded that an U-O-S angle of 1430 is an intrinsic property of the uranyl sulfate bond and not due to packing effects or interaction with the water in the primary solvation shell. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Neuefeind, J (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM neuefeind@ant.gov RI Neuefeind, Joerg/D-9990-2015 OI Neuefeind, Joerg/0000-0002-0563-1544 NR 36 TC 34 Z9 34 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 5 PY 2004 VL 43 IS 7 BP 2422 EP 2426 DI 10.1021/ic035177j PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 808QL UT WOS:000220583500030 PM 15046519 ER PT J AU Gan, XM Binyamin, I Rapko, BM Fox, J Duesler, EN Paine, RT AF Gan, XM Binyamin, I Rapko, BM Fox, J Duesler, EN Paine, RT TI Hydrogen bonded framework structures constructed from 2-(Pyridyl N-oxide) methylphosphonic acid ligands and erbium(III) SO INORGANIC CHEMISTRY LA English DT Article ID COORDINATION CHEMISTRY; N,P,P'-TRIOXIDE; PHOSPHONATES; SOLIDS AB Syntheses for 2-(pyridyl N-oxide) methylphosphonic acid, 1-H, and 2-(pyridyl N-oxide) hydroxymethylphosphonic acid, 4-H, are described, and the crystal structures of both ligands are presented, Combination of these ligands with freshly prepared erbium hydroxide results in the formation of the isostructural complexes Er(L-)(3)(LH).8H(2)O. The crystal structure determinations of the complexes show that extensive hydrogen bonding links the individual eight coordinate Er(L-)(3)(LH) molecular units into a 3-D structure. C1 Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Paine, RT (reprint author), Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. EM rtpaine@umn.edu NR 15 TC 36 Z9 36 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 5 PY 2004 VL 43 IS 7 BP 2443 EP 2448 DI 10.1021/ic0351850 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 808QL UT WOS:000220583500033 PM 15046522 ER PT J AU Wang, HL Turner, JA AF Wang, HL Turner, JA TI Ferritic stainless steels as bipolar plate material for polymer electrolyte membrane fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE bipolar plate; stainless steel; ferrite; PEMFC; passive film ID XPS; PASSIVATION; ALLOYS AB Both interfacial contact resistance (ICR) measurements and electrochemical corrosion techniques were applied to ferritic stainless steels in a solution simulating the environment of a bipolar plate in a polymer electrolyte membrane fuel cell (PEMFC). Stainless steel samples of AISI434, AISI436, AISI441, AISI444, and AISI446 were studied, and the results suggest that AISI446 could be considered as a candidate bipolar plate material. In both polymer electrolyte membrane fuel cell anode and cathode environments, AISI446 steel underwent passivation and the passive films were very stable. An increase in the ICR between the steel and the carbon backing material due to the passive film formation was noted. The thickness of the passive film on AISI446 was estimated to be 2.6 nm for the film formed at -0.1 V in the simulated PEMFC anode environment and 3.0 nm for the film formed at 0.6 V in the simulated PEMFC cathode environment. Further improvement in the ICR will require some modification of the passive film, which is dominated by chromium oxide. (C) 2003 Elsevier B.V. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Turner, JA (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM john_turner@nrel.gov NR 29 TC 180 Z9 184 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 5 PY 2004 VL 128 IS 2 BP 193 EP 200 DI 10.1016/j.jpowsour.2003.09.075 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 806QB UT WOS:000220447300010 ER PT J AU Chen, CH Liu, J Stoll, ME Henriksen, G Vissers, DR Amine, K AF Chen, CH Liu, J Stoll, ME Henriksen, G Vissers, DR Amine, K TI Aluminum-doped lithium nickel cobalt oxide electrodes for high-power lithium-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE lithium nickel cobalt oxide electrode; high-power lithium-ion batteries; HPPC; symmetric cells ID SYMMETRIC CELL APPROACH; BEHAVIOR; CATHODE AB Non-doped and aluminum-doped LiNi0(.8)Co(0.2)O(2) cathodes from three industrial developers coupled with graphite anodes were made into lithium-ion cells for high-power applications. The powder morphology of the active cathode materials was examined by a scanning electron microscope. The electrochemical performance of these cells was investigated by hybrid pulse power characterization (HPPC) testing, accelerated aging, and AC impedance measurement of symmetric cells. Although all of the fresh cells are found to meet and exceed the power requirements set by PNGV, the power capability of those cells with non-doped LiNi 0.8Co0.2O2 cathodes fades rapidly due to the rise of the cell impedance. Al-doping is found very effective to suppress the cell impedance rise by stabilizing the charge-transfer impedance on the cathode side. The stabilization mechanism may be related to the low average oxidation state of nickel ions in the cathode. The powder morphology also plays a secondary role in determining the impedance stabilization. (C) 2003 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Chem Technol, Argonne, IL 60439 USA. Univ Sci & Technol China, Dept Mat Sci & Engn, Anhua 230026, Peoples R China. RP Chen, CH (reprint author), Argonne Natl Lab, Div Chem Technol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cchchen@ustc.edu.cn RI Chen, Chunhua/F-5897-2010; Amine, Khalil/K-9344-2013 NR 12 TC 103 Z9 113 U1 12 U2 113 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 5 PY 2004 VL 128 IS 2 BP 278 EP 285 DI 10.1016/j.jpowsour.2003.10.009 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 806QB UT WOS:000220447300020 ER PT J AU Roth, EP Doughty, DH AF Roth, EP Doughty, DH TI Thermal abuse performance of high-power 18650 Li-ion cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Li-ion battery; thermal abuse; ARC; DSC; LiNi0.85CO0.15O2; LiNi0.80Co0.15Al0.05O2 ID LITHIUM INTERCALATED GRAPHITE; ACCELERATING RATE CALORIMETRY; ELEVATED-TEMPERATURES; STABILITY; ELECTROLYTE; BATTERY; LIXCOO2 AB High-power 18650 Li-ion cells have been developed for hybrid electric vehicle applications as part of the DOE Advanced Technology Development (ATD) program. The thermal abuse response of two advanced chemistries (Genl and Gen2) were measured and compared with commercial Sony 18650 cells. Genl cells consisted of an MCMB graphite based anode and a LiNi0.85Co0.15O2 cathode material while the Gen2 cells consisted of a MAG10 anode graphite and a LiNi0.80Co0.15 Al0.05O2 cathode. Accelerating rate calorimetry (ARC) and differential scanning calorimetry (DSC) were used to measure the thermal response and properties of the cells and cell materials up to 400 degreesC. The MCMB graphite was found to result in increased thermal stability of the cells due to more effective solid electrolyte interface (SEI) formation. The Al stabilized cathodes were seen to have higher peak reaction temperatures that also gave improved cell thermal response. The effects of accelerated aging on cell properties were also determined. Aging resulted in improved cell thermal stability with the anodes showing a rapid reduction in exothermic reactions while the cathodes only showed reduced reactions after more extended aging. Published by Elsevier B.V. C1 Sandia Natl Labs, Lithium Battery R&D Dept, Albuquerque, NM 87185 USA. RP Roth, EP (reprint author), Sandia Natl Labs, Lithium Battery R&D Dept, POB 5800, Albuquerque, NM 87185 USA. EM eproth@sandia.gov NR 16 TC 83 Z9 84 U1 6 U2 63 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 5 PY 2004 VL 128 IS 2 BP 308 EP 318 DI 10.1016/j.jpowsour.2003.09.068 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 806QB UT WOS:000220447300023 ER PT J AU Oganessian, YT Utyonkov, VK Lobanov, YV Abdullin, FS Polyakov, AN Shirokovsky, IV Tsyganov, YS Gulbekian, GG Bogomolov, SL Gikal, BN Mezentsev, AN Iliev, S Subbotin, VG Sukhov, AM Voinov, AA Buklanov, GV Subotic, K Zagrebaev, VI Itkis, MG Patin, JB Moody, KJ Wild, JF Stoyer, MA Stoyer, NJ Shaughnessy, DA Kenneally, JM Lougheed, RW AF Oganessian, YT Utyonkov, VK Lobanov, YV Abdullin, FS Polyakov, AN Shirokovsky, IV Tsyganov, YS Gulbekian, GG Bogomolov, SL Gikal, BN Mezentsev, AN Iliev, S Subbotin, VG Sukhov, AM Voinov, AA Buklanov, GV Subotic, K Zagrebaev, VI Itkis, MG Patin, JB Moody, KJ Wild, JF Stoyer, MA Stoyer, NJ Shaughnessy, DA Kenneally, JM Lougheed, RW TI Heavy element research at Dubna SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID SUPERHEAVY NUCLEI; HEAVIEST NUCLEI; CA-48 C1 Dubna Joint Nucl Res Inst, Dubna 141980, Russia. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Oganessian, YT (reprint author), Dubna Joint Nucl Res Inst, Dubna 141980, Russia. EM oganessian@flnr.jinr.ru NR 32 TC 50 Z9 52 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 109 EP 123 DI 10.1016/j.nuclphysa.2004.01.020 PG 15 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300018 ER PT J AU Moody, K AF Moody, K CA Dubna-Livermore Collaboration TI Superheavy element isotopes, decay properties SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID NUCLEI C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Moody, K (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM moody3@llnl.gov NR 14 TC 10 Z9 10 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 188 EP 191 DI 10.1016/j.nuclphysa.2004.01.031 PG 4 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300029 ER PT J AU Gaggeler, HW Bruchle, W Dullmann, CE Dressler, R Eberhardt, K Eichler, B Eichler, R Folden, CM Ginter, TN Glaus, F Gregorich, KE Haenssler, F Hoffman, DC Jager, E Jost, DT Kirbach, UW Kratz, JV Nitsche, H Patin, JB Pershina, V Piguet, D Qin, Z Rieth, U Schadel, M Schimpf, E Schausten, B Soverna, S Sudowe, R Thorle, P Trautmann, N Turler, A Vahle, A Wilk, PA Wirth, G Yakushev, AB von Zweidorf, A AF Gaggeler, HW Bruchle, W Dullmann, CE Dressler, R Eberhardt, K Eichler, B Eichler, R Folden, CM Ginter, TN Glaus, F Gregorich, KE Haenssler, F Hoffman, DC Jager, E Jost, DT Kirbach, UW Kratz, JV Nitsche, H Patin, JB Pershina, V Piguet, D Qin, Z Rieth, U Schadel, M Schimpf, E Schausten, B Soverna, S Sudowe, R Thorle, P Trautmann, N Turler, A Vahle, A Wilk, PA Wirth, G Yakushev, AB von Zweidorf, A TI Chemical and nuclear studies of hassium and element 112 SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr C1 Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland. Paul Scherrer Inst, Lab Radio & Umweltchem, CH-5232 Villigen, Switzerland. Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. Univ Mainz, Inst Kernchem, D-55128 Mainz, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. Joint Inst Nucl Res, Flerov Lab Nucl React, Dubna 141980, Russia. Tech Univ Munich, Inst Radiochem, D-85748 Garching, Germany. Rossendorf Inc, Res Ctr, D-01314 Dresden, Germany. RP Gaggeler, HW (reprint author), Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland. EM gaeggeler@psi.ch; jbpatin@llnl.gov; V.Pershina@gsi.de; yak@rad.chemie.tu-muenchen.de RI Wilk, Philip/B-5954-2008; Eichler, Robert/G-5130-2011; Folden, Charles/F-1033-2015; Turler, Andreas/D-3913-2014 OI Folden, Charles/0000-0002-2814-3762; Turler, Andreas/0000-0002-4274-1056 NR 9 TC 19 Z9 21 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 208 EP 212 DI 10.1016/j.nuclphysa.2004.01.036 PG 5 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300034 ER PT J AU Hamilton, JH Zhu, SJ Ramayya, AV Gore, PM Rasmussen, JO Jones, EF Hwang, JK Xu, RQ Yang, LY Li, K Jiang, Z Zhang, Z Ziao, SD Zhang, XQ Kormicki, J Luo, YX Chaturvedi, L Ma, WC Cole, JD Drigert, MW Lee, IY Fallon, P Stoyer, MA Ginter, TN Ter-Akopian, GM Daniel, AV Oganessian, YT Donangelo, R Dimitrov, V Frauendorf, S AF Hamilton, JH Zhu, SJ Ramayya, AV Gore, PM Rasmussen, JO Jones, EF Hwang, JK Xu, RQ Yang, LY Li, K Jiang, Z Zhang, Z Ziao, SD Zhang, XQ Kormicki, J Luo, YX Chaturvedi, L Ma, WC Cole, JD Drigert, MW Lee, IY Fallon, P Stoyer, MA Ginter, TN Ter-Akopian, GM Daniel, AV Oganessian, YT Donangelo, R Dimitrov, V Frauendorf, S TI New insights into neutron rich nuclei from fission SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr AB Neutron-rich nuclei populated in spontaneous fission are providing new tests for microscopic models. The neutron-rich Mo104-108, Ru108-114 and Pd112-116 exhibit a variety of rapidly changing collective band structures to high spins. The first evidence for chiral band doublets in any even-even nucleus are reported. C1 Vanderbilt Univ, Nashville, TN 37235 USA. Tsing Hua Univ, Beijing 100084, Peoples R China. Joint Inst Heavy Ion Res, Oak Ridge, TN 37835 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Banaras Hindu Univ, Varanasi 221005, Uttar Pradesh, India. Mississippi State Univ, Mississippi State, MS 39762 USA. Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Michigan State Univ, E Lansing, MI 48824 USA. Joint Nucl Res Inst, RU-141980 Dubna, Russia. Univ Fed Rio de Janeiro, Rio De Janeiro, Brazil. Univ Notre Dame, Notre Dame, IN 46556 USA. RP Hamilton, JH (reprint author), Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA. RI dimitrov, vesselin/A-8180-2009; Jiang, Zhuo/E-3110-2010 NR 4 TC 5 Z9 5 U1 3 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 257 EP 260 DI 10.1016/j.nuclphysa.2004.01.048 PG 4 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300046 ER PT J AU Blank, B Giovinazzo, J Pfutzner, M Blumenfeld, Y Zerguerras, T AF Blank, B Giovinazzo, J Pfutzner, M Blumenfeld, Y Zerguerras, T TI Two-proton radioactivity - a curiosity of Nature? SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID PROTON DRIP-LINE; GROUND-STATE; NUCLEI; DECAY; SHELL; FE-45; NI-48; O-12 AB In the present paper, we describe recent results on two-proton emission studies. In the first part, new results on two proton emission front excited states in Ne-17 are presented. In these complete kinematics measurements performed at the SPEG facility of GANIL, the angle between the two protons has been measured evidencing a He-2 emission pattern. In a second part, recent results on the two-proton radioactivity of Fe-45 from GANIL and GSI are presented, which show the first evidence of this few radioactivity. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. CEN Bordeaux Gradignan, F-33175 Gradignan, France. Warsaw Univ, Inst Phys Expt, PL-00681 Warsaw, Poland. Inst Phys Nucl, F-91406 Orsay, France. RP Blank, B (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. NR 19 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 303 EP 310 DI 10.1016/j.nuclphysa.2004.01.054 PG 8 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300052 ER PT J AU Quentin, P Laftchiev, H Samsoen, D Mikhailov, IN Libert, J AF Quentin, P Laftchiev, H Samsoen, D Mikhailov, IN Libert, J TI Pairing correlations in high spin states SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID ROTATIONS C1 CNRS, Ctr Etudes Nucl Bordeaux Gradignan, IN2P3, F-33175 Gradignan, France. Los Alamos Natl Lab, Div Theoret, TDO, Los Alamos, NM 87545 USA. Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, BU-1784 Sofia, Bulgaria. Joint Inst Nucl Res, Bogoliubv Lab Theoret Phys, Dubna 141980, Russia. CNRS, Ctr Spectrometrie Nucl & Spectrometrie Masse, IN2P3, F-91406 Orsay, France. Univ Paris 11, Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91406 Orsay, France. Univ Bordeaux 1, CEN Bordeaux Gradignan, F-33175 Gradignan, France. Univ Paris 11, Inst Phys Nucl Orsay, F-91406 Orsay, France. CNRS, Inst Phys Nucl Orsay, IN2P3, F-91406 Orsay, France. RP Quentin, P (reprint author), CNRS, Ctr Etudes Nucl Bordeaux Gradignan, IN2P3, BP 120, F-33175 Gradignan, France. EM quentin@cenbg.in2p3.fr NR 12 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 477 EP 480 DI 10.1016/j.nuclphysa.2004.01.130 PG 4 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300086 ER PT J AU Helgesson, J Ghetti, R Moretto, LG Breus, DE Elliott, JB Phair, LW Wozniak, GJ AF Helgesson, J Ghetti, R Moretto, LG Breus, DE Elliott, JB Phair, LW Wozniak, GJ TI Finite size scalings and the nuclear liquid-gas phase transition SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID MONTE-CARLO; RENORMALIZATION GROUP; CRITICAL-BEHAVIOR; MATTER; MODEL; STATE AB Finite size effects oil cluster distributions are investigated within Ising and Fisher's Droplet Model. Fixed magnetization calculations suggest that, the introduction of a complement correction of the emitting system is a promising approach for finite size scalings. C1 Malmo Univ, Sch Technol & Soc, Malmo, Sweden. Lund Univ, Dept Phys, S-22100 Lund, Sweden. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Helgesson, J (reprint author), Malmo Univ, Sch Technol & Soc, Malmo, Sweden. NR 21 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 549 EP 552 DI 10.1016/j.nculphysa.2004.01.102 PG 4 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300099 ER PT J AU Rehm, KE AF Rehm, KE TI Nuclear astrophysics experiments with stable and unstable beams SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID C-12(ALPHA,GAMMA)O-16; NUCLEOSYNTHESIS; CAPTURE; STARS; DECAY; ALPHA AB Experiments with stable and radioactive beams play an important role in understanding the phenomena observed at various astrophysical sites ranging from the early universe. to novae and supernovae explosions. A summary of recent achievements in nuclear astrophysics is given and an experiment measuring the B-8 neutrino spectrum with a new technique is described in more detail. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Rehm, KE (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 19 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 615 EP 622 DI 10.1016/j.nuclphysa.2004.01.114 PG 8 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300111 ER PT J AU Nolen, JA AF Nolen, JA TI Overview of the US Rare Isotope Accelerator proposal SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 8th International Conference on Nucleus-Nucleus Collisions CY JUN 17-21, 2003 CL Moscow, RUSSIA SP Bank GLOBEX, Contact Co, Aspect Sci Prod Ctr ID BEAMS; FRAGMENTATION; FACILITY; PROJECT AB The Rare Isotope Accelerator (RIA) is the highest priority of the nuclear physics community in the United States for a major new facility. RIA is a next generation facility for basic research with radioactive beams that utilizes both standard Isotope-separator On-line (ISOL) and in-flight fragmentation methods with novel approaches to handle high primary-beam power and remove existing limitations in the extraction of short-lived isotopes. A versatile primary accelerator, a 1.4-GV, CW superconducting linac designed to simultaneously accelerate several heavy-ion charge states, will provide beams from protons at 900 MeV to uranium at 400 MeV/u at power levels of 400 kW The wide variety of primary beams allows various production and extraction schemes to be used to optimize production of specific isotopes. These isotopes, at unprecedented intensities, are available for research at a broad range of energies. They can be delivered at ion source energy for stopped-beam studies, reaccelerated by a second superconducting linac, or directly separated in-flight for use at energies up to 500 MeV/u. The post accelerator uses a unique injection scheme, based on CW low-frequency RFQs, for efficient acceleration of singly charged heavy ions with masses up to 240 amu from ion source energy. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Nolen, JA (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 34 TC 36 Z9 36 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 5 PY 2004 VL 734 BP 661 EP 668 DI 10.1016/j.nuclphysa.2004.01.120 PG 8 WC Physics, Nuclear SC Physics GA 810RV UT WOS:000220722300117 ER PT J AU Kiran, B Li, X Zhai, HJ Cui, LF Wang, LS AF Kiran, B Li, X Zhai, HJ Cui, LF Wang, LS TI [SiAu4]: Aurosilane SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE density functional calculations; gold; isolobal relationship; photoelectron spectroscopy; silicon ID CENTER-DOT NH3; GOLD; CHEMISTRY; MOLECULES; CLUSTER; AU; RELATIVITY; INTERFACE; HYDRIDES; AMMONIA C1 Washington State Univ, Dept Phys, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99352 USA. EM ls.wang@pnl.gov NR 33 TC 97 Z9 97 U1 0 U2 17 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. PD APR 4 PY 2004 VL 43 IS 16 BP 2125 EP 2129 DI 10.1002/anie.200353602 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 814WS UT WOS:000221005400016 PM 15083462 ER PT J AU Baskaran, D Mays, JW Bratcher, MS AF Baskaran, D Mays, JW Bratcher, MS TI Polymer-grafted multiwalled carbon nanotubes through surface-initiated polymerization SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE carbon; copolymerization; nanotubes; polymers ID FUNCTIONALIZATION C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. USA, Res Lab, Weapons & Mat Res Directorate, AMSRL,WM,MA, Aberdeen Proving Ground, MD 21005 USA. RP Baskaran, D (reprint author), Univ Tennessee, Dept Chem, 552 Buehler Hall, Knoxville, TN 37996 USA. EM baskaran@novell.chem.utk.edu RI Durairaj, Baskaran/C-3692-2009 OI Durairaj, Baskaran/0000-0002-6886-5604 NR 17 TC 289 Z9 294 U1 5 U2 53 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. PD APR 4 PY 2004 VL 43 IS 16 BP 2138 EP 2142 DI 10.1002/anie.200353329 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 814WS UT WOS:000221005400020 PM 15083466 ER PT J AU Rotthaus, O LeRoy, S Tomas, A Barkigia, KM Artaud, I AF Rotthaus, O LeRoy, S Tomas, A Barkigia, KM Artaud, I TI A new family of low-spin Co-III bis(amidate) complexes with two cis or trans cyanides SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE cobalt; cyanides; N ligands ID X-RAY-STRUCTURE; NITRILE HYDRATASE; CARBOXAMIDO-N; S DONORS; LIGANDS; REACTIVITY; OXIDATION; IRON; COORDINATION; CHEMISTRY AB Four low-spin dicyanodicarboxamidocobalt(III) complexes have been prepared from N,N'-bis(8-quinolyl)malonamide derivatives, the malonyl fragment of which was either unsubstituted (Et4N)[Co(BQM)(CN)(2)] (3a), monosubstituted by a benzyl group (Et4N)[Co(mono-BenzBQM)(CN)(2)] (3b), or disubstituted by two benzyl or two phenylethyl groups, (Et4N)[Co(di-BenzBQM)(CN)(2)] (3c) and (Et4N)[Co(di-PhEtBQM)(CN)(2)] (3d), respectively. The X-ray crystal structures of 3a and 3c reveal that the tetradentate ligand adopts a helical or a planar configuration around the cobalt centre of 3a and 3c, respectively. Complexes 3a-3d were characterised in solution by H-1 NMR spectroscopy by 1D and 2D COSY H-H techniques. The solid-state structures of 3a and 3c are retained in solution, and complexes 3b and 3d adopt structures similar to 3a and 3c, respectively, showing that the level of the malonic substitution determines the configuration of the tetradentate ligand around the cobalt centre and forces the cyanide ligands to adopt either cis or trans orientations. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004). C1 Univ Paris 05, Chim & Biochim Pharmacol & Toxicol Lab, UMR 8601, F-75270 Paris 06, France. Fac Pharm, UMR 8015, Lab Cristallog & RMN Biol, F-75270 Paris, France. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Artaud, I (reprint author), Univ Paris 05, Chim & Biochim Pharmacol & Toxicol Lab, UMR 8601, 45 Rue Sts Peres, F-75270 Paris 06, France. EM isabelle.artaud@biomedicale.univ-paris5.fr NR 35 TC 11 Z9 11 U1 1 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1434-1948 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD APR 2 PY 2004 IS 7 BP 1545 EP 1551 DI 10.1002/ejic.200300645 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 811UP UT WOS:000220797100023 ER PT J AU Matsumoto, K Sarmiento, JL Key, RM Aumont, O Bullister, JL Caldeira, K Campin, JM Doney, SC Drange, H Dutay, JC Follows, M Gao, Y Gnanadesikan, A Gruber, N Ishida, A Joos, F Lindsay, K Maier-Reimer, E Marshall, JC Matear, RJ Monfray, P Mouchet, A Najjar, R Plattner, GK Schlitzer, R Slater, R Swathi, PS Totterdell, IJ Weirig, MF Yamanaka, Y Yool, A Orr, JC AF Matsumoto, K Sarmiento, JL Key, RM Aumont, O Bullister, JL Caldeira, K Campin, JM Doney, SC Drange, H Dutay, JC Follows, M Gao, Y Gnanadesikan, A Gruber, N Ishida, A Joos, F Lindsay, K Maier-Reimer, E Marshall, JC Matear, RJ Monfray, P Mouchet, A Najjar, R Plattner, GK Schlitzer, R Slater, R Swathi, PS Totterdell, IJ Weirig, MF Yamanaka, Y Yool, A Orr, JC TI Evaluation of ocean carbon cycle models with data-based metrics SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID ANTHROPOGENIC CO2; PACIFIC-OCEAN; RADIOCARBON AB New radiocarbon and chlorofluorocarbon-11 data from the World Ocean Circulation Experiment are used to assess a suite of 19 ocean carbon cycle models. We use the distributions and inventories of these tracers as quantitative metrics of model skill and find that only about a quarter of the suite is consistent with the new data-based metrics. This should serve as a warning bell to the larger community that not all is well with current generation of ocean carbon cycle models. At the same time, this highlights the danger in simply using the available models to represent the state-of-the-art modeling without considering the credibility of each model. C1 Geol Survey Japan, Agcy Ind Sci & Technol, Tsukuba, Ibaraki 3058567, Japan. Princeton Univ, Program Atmospher & Ocean Sci, Princeton, NJ USA. CEA, CNRS, Unite Mixte Rech, Lab Sci Climat & Environm, Gif Sur Yvette, France. NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Liege, Liege, Belgium. Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. Nansen Environm & Remote Sensing Ctr, Bergen, Norway. MIT, Program Atmospheres Oceans & Climate, Cambridge, MA USA. NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA. Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90024 USA. Frontier Res Syst Global Change, Yokohama, Kanagawa, Japan. Univ Bern, Inst Phys, Bern, Switzerland. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Max Planck Inst Meteorol, Hamburg, Germany. CSIRO, Div Marine Res, Hobart, Tas, Australia. Penn State Univ, Dept Meteorol, University Pk, PA 16802 USA. Alfred Wegener Inst Polar & Marine Res, Bremerhaven, Germany. CSIR, Ctr Math Modeling & Comp Simulat, Bangalore, Karnataka, India. Southampton Oceanog Ctr, Southampton, Hants, England. RP Matsumoto, K (reprint author), Geol Survey Japan, Agcy Ind Sci & Technol, AIST Site 7,1-1-1 Higashi, Tsukuba, Ibaraki 3058567, Japan. EM katsumi@ni.aist.go.jp RI gao, yongqi/N-9347-2014; Aumont, Olivier/G-5207-2016; Yamanaka, Yasuhiro/H-7393-2012; Plattner, Gian-Kasper/A-5245-2016; Gnanadesikan, Anand/A-2397-2008; Orr, James/C-5221-2009; Swathi, P /G-2860-2010; Gruber, Nicolas/B-7013-2009; Caldeira, Ken/E-7914-2011; Follows, Michael/G-9824-2011; Yool, Andrew/B-4799-2012; matear, richard/C-5133-2011; Doney, Scott/F-9247-2010; Mouchet, Anne/K-1911-2014 OI Orr, James/0000-0002-8707-7080; Joos, Fortunat/0000-0002-9483-6030; Aumont, Olivier/0000-0003-3954-506X; Yamanaka, Yasuhiro/0000-0003-3369-3248; Plattner, Gian-Kasper/0000-0002-3765-0045; Gnanadesikan, Anand/0000-0001-5784-1116; Gruber, Nicolas/0000-0002-2085-2310; Yool, Andrew/0000-0002-9879-2776; Doney, Scott/0000-0002-3683-2437; Mouchet, Anne/0000-0002-8846-3063 NR 17 TC 111 Z9 115 U1 2 U2 21 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 2 PY 2004 VL 31 IS 7 AR L07303 DI 10.1029/2003GL018970 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 811AD UT WOS:000220743900001 ER PT J AU Galkin, A Kulakova, L Sarikaya, E Lim, K Howard, A Herzberg, O AF Galkin, A Kulakova, L Sarikaya, E Lim, K Howard, A Herzberg, O TI Structural insight into arginine degradation by arginine deiminase, an antibacterial and parasite drug target SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID PSEUDOMONAS-AERUGINOSA; CRYSTAL-STRUCTURE; AMIDINOTRANSFERASE; PROTEIN; ENZYME; IDENTIFICATION; BIOSYNTHESIS; EXPRESSION; SOFTWARE; CLONING AB L-Arginine deiminase (ADI) catalyzes the irreversible hydrolysis of arginine to citrulline and ammonia. ADI is involved in the first step of the most widespread anaerobic route of arginine degradation. ADI, missing in high eukaryotes, is a potential antimicrobial and antiparasitic drug target. We have determined the crystal structure of ADI from Pseudomonas aeruginosa by the multi-wavelength anomalous diffraction method at 2.45 Angstrom resolution. The structure exhibits similarity to other arginine-modifying or substituted arginine-modifying enzymes such as dimethylarginine dimethylaminohydrolase (DDAH), arginine: glycine amidinotransferase, and arginine: inosamine-phosphate amidinotransferase, despite the lack of significant amino acid sequence homology to these enzymes. The similarity spans a core domain comprising five betabetaalphabeta motifs arranged in a circle around a 5-fold pseudosymmetry axis. ADI contains an additional alpha-helical domain of novel topology inserted between the first and the second betabetaalphabeta modules. A catalytic triad, Cys-His-Glu/Asp ( arranged in a different manner from that of the thiol proteases), seen in the other arginine-modifying enzymes is also conserved in ADI, as well as many other residues involved in substrate binding. Based on this conservation pattern and the assumption that the substrate binding mode is similar to that of DDAH, an ADI catalytic mechanism is proposed. The main players are Cys-406, which mounts the nucleophilic attack on the carbon atom of the guanidinium group of arginine, and His-278, which serves as a general base. C1 Univ Maryland, Maryland Biotechnol Inst, Ctr Adv Res Biotechnol, Rockville, MD 20850 USA. NIAID, Parasit Dis Lab, NIH, Bethesda, MD 20892 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. IIT, Chicago, IL 60616 USA. RP Herzberg, O (reprint author), Univ Maryland, Maryland Biotechnol Inst, Ctr Adv Res Biotechnol, 9600 Gudelsky Dr, Rockville, MD 20850 USA. EM osnat@carb.umbi.umd.edu RI ID, IMCACAT/D-5867-2014 FU NIGMS NIH HHS [P01 GM57890] NR 30 TC 54 Z9 57 U1 0 U2 9 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 2 PY 2004 VL 279 IS 14 BP 14001 EP 14008 DI 10.1074/jbc.M313410200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 807CB UT WOS:000220478500088 PM 14701825 ER PT J AU Sorin, EJ Nakatani, BJ Rhee, YM Jayachandran, G Vishal, V Pande, VS AF Sorin, EJ Nakatani, BJ Rhee, YM Jayachandran, G Vishal, V Pande, VS TI Does native state topology determine the RNA folding mechanism? SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE RNA folding; bulk kinetics; mechanism; distributed computing; biasing potential ID TRANSITION-STATE; COMPUTER-SIMULATION; GLOBULAR-PROTEINS; YEAST TRNA(PHE); SH3 DOMAINS; DYNAMICS; KINETICS; MAGNESIUM(II); FLUCTUATIONS; LANDSCAPES AB Recent studies in protein folding suggest that native state topology plays a dominant role in determining the folding mechanism, yet an analogous statement has not been made for RNA, most likely due to the strong coupling between the ionic environment and conformational energetics that make RNA folding more complex than protein folding. Applying a distributed computing architecture to sample nearly 5000 complete tRNA folding events using a minimalist, atomistic model, we have characterized the role of native topology in tRNA folding dynamics: the simulated bulk folding behavior predicts well the experimentally observed folding mechanism. In contrast, single-molecule folding events display multiple discrete folding transitions and compose a largely diverse, heterogeneous dynamic ensemble. This both supports an emerging view of heterogeneous folding dynamics at the microscopic level and highlights the need for single-molecule experiments and both single-molecule and bulk simulations in interpreting bulk experimental measurements. (C) 2004 Elsevier Ltd. All rights reserved. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. Stanford Univ, Dept Biophys, Stanford, CA 94305 USA. Stanford Univ, Dept Biol Struct, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. RP Pande, VS (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM pande@stanford.edu RI Rhee, Young/E-9940-2012 NR 37 TC 39 Z9 39 U1 1 U2 27 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 2 PY 2004 VL 337 IS 4 BP 789 EP 797 DI 10.1016/j.jmb.2004.02.024 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 807QH UT WOS:000220515500002 PM 15033351 ER PT J AU Gray, JL Singh, N Elzey, DM Hull, R Floro, JA AF Gray, JL Singh, N Elzey, DM Hull, R Floro, JA TI Kinetic size selection mechanisms in heteroepitaxial quantum dot molecules SO PHYSICAL REVIEW LETTERS LA English DT Article ID SURFACE-MORPHOLOGY; ISLANDS; GROWTH; RELAXATION; NUCLEATION; EVOLUTION; FILMS; NANOSTRUCTURES; GERMANIUM; ARRAYS AB Heteroepitaxial growth of Si0.7Ge0.3/Si(001) films under kinetically limited conditions leads to self-assembly of fourfold quantum dot molecules. These structures obtain a narrowly selected maximum size, independent of film thickness or annealing time. Size selection arises from efficient adatom trapping inside the central pit of the quantum dot molecule when the surrounding islands cojoin to form a continuous wall. Self-limiting growth of nanostructures has significant implications for novel nanoelectronic device architectures such as quantum cellular automata. C1 Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gray, JL (reprint author), Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. NR 26 TC 32 Z9 32 U1 0 U2 7 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 2 PY 2004 VL 92 IS 13 AR 135504 DI 10.1103/PhysRevLett.92.135504 PG 4 WC Physics, Multidisciplinary SC Physics GA 808ZE UT WOS:000220606200040 PM 15089624 ER PT J AU Kim, YJ Hill, JP Benthien, H Essler, FHL Jeckelmann, E Choi, HS Noh, TW Motoyama, N Kojima, KM Uchida, S Casa, D Gog, T AF Kim, YJ Hill, JP Benthien, H Essler, FHL Jeckelmann, E Choi, HS Noh, TW Motoyama, N Kojima, KM Uchida, S Casa, D Gog, T TI Resonant inelastic X-ray scattering of the holon-antiholon continuum in SrCuO2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPIN-CHARGE SEPARATION; ONE-DIMENSIONAL SRCUO2; MOTT INSULATORS; COPPER OXIDES; SR2CUO3; EXCITATIONS; TRANSITION; SYSTEMS AB We report a resonant inelastic x-ray scattering study of charge excitations in the quasi-one-dimensional Mott insulator SrCuO2. We observe a continuum of low-energy excitations, the onset of which exhibits a small dispersion of similar to0.4 eV. Within this continuum, a highly dispersive feature with a large sinusoidal dispersion (similar to1.1 eV) is observed. We have also measured the optical conductivity, and studied the dynamic response of the extended Hubbard model with realistic parameters, using a dynamical density-matrix renormalization group method. In contrast to earlier work, we do not find a long-lived exciton, but rather these results suggest that the excitation spectrum comprises a holon-antiholon continuum together with a broad resonance. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Marburg, Dept Phys, D-35032 Marburg, Germany. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Seoul Natl Univ, ReCOE, Seoul 151747, South Korea. Seoul Natl Univ, Sch Phys, Seoul 151747, South Korea. Univ Tokyo, Grad Sch Frontier Sci, Bunkyo Ku, Tokyo 1138656, Japan. Argonne Natl Lab, CMC, CAT, Adv Photon Source, Argonne, IL 60439 USA. RP Kim, YJ (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RI Jeckelmann, Eric/C-7497-2009; Hill, John/F-6549-2011; Kim, Young-June /G-7196-2011; Noh, Tae Won /K-9405-2013; Casa, Diego/F-9060-2016 OI Jeckelmann, Eric/0000-0002-0150-5938; Kim, Young-June /0000-0002-1172-8895; NR 22 TC 67 Z9 67 U1 1 U2 11 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 2 PY 2004 VL 92 IS 13 AR 137402 DI 10.1103/PhysRevLett.92.137402 PG 4 WC Physics, Multidisciplinary SC Physics GA 808ZE UT WOS:000220606200060 PM 15089644 ER PT J AU Kowalski, K Dean, DJ Hjorth-Jensen, M Papenbrock, T Piecuch, P AF Kowalski, K Dean, DJ Hjorth-Jensen, M Papenbrock, T Piecuch, P TI Coupled cluster calculations of ground and excited states of nuclei SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOLECULAR ELECTRONIC-STRUCTURE; FULL CCSDT MODEL; FIELD; FORMALISM; EQUATIONS; MOMENTS; SINGLES; TRIPLES; DOUBLES; FORCES AB The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He growth front and have been found to originate mostly in a central growth area and occasionally in outer growth regions. Inclusions of impurities or formations of foreign particles in the central growth region are resolved in the images with high sensitivity to defects. Slow dehydration led to the broadening of a fairly symmetric 440 rocking curve by a factor of similar to2.6, which was primarily attributed to the dehydration-induced microscopic effects that are clearly shown in X-ray diffraction images. The details of the observed defects and the significant change in the revealed microstructures with drying provide insight into the nature of imperfections, nucleation and growth, and the properties of protein crystals. C1 NASA, George C Marshall Space Flight Ctr, BAE Syst, Huntsville, AL 35812 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Hu, ZW (reprint author), NASA, George C Marshall Space Flight Ctr, BAE Syst, Huntsville, AL 35812 USA. EM zhengwei.hu@msfc.nasa.gov NR 41 TC 11 Z9 11 U1 0 U2 4 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD APR PY 2004 VL 60 BP 621 EP 629 DI 10.1107/S0907444904000915 PN 4 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 805LR UT WOS:000220368300001 PM 15039549 ER PT J AU Wenk, HR Lonardelli, I Williams, D AF Wenk, HR Lonardelli, I Williams, D TI Texture changes in the hcp -> bcc -> hcp transformation of zirconium studied in situ by neutron diffraction SO ACTA MATERIALIA LA English DT Article DE zirconium; texture; phase transformation (hcp-bcc); variant selection; neutron diffraction ID ORIENTATION DISTRIBUTION FUNCTION; ROLLED TITANIUM SHEET; PHASE-TRANSFORMATION; VARIANT SELECTION; POLE FIGURES; EVOLUTION; STRESSES; ALLOYS; RECRYSTALLIZATION; DEFORMATION AB The crystallographic texture of hot-rolled polycrystalline zirconium has been studied below and above the hcp-bcc transition temperature with HIPPO, the new time-of-flight neutron diffractometer at Los Alamos Neutron Science Center, making use of the multidetector capabilities and a vacuum furnace. Incomplete pole figures were extracted from diffraction spectra to determine the orientation distribution function and recalculate complete pole figures in situ at various temperatures. The texture analysis reveals that the orientation of grains in the new high-temperature (bee) phase is related to the texture of the low-temperature (hcp) phase by Burgers relation, but with both an orientation selection and a symmetry variant selection. The cubic transformation texture is best explained if we assume preferential nucleation of the bcc phase in the hcp grain orientations that are most subject to mechanical twinning. After cooling, the new hcp texture closely resembles the original texture. Thermal cycling repeats this process with slight strengthening of the texture. The hexagonal transformation texture (after cooling) may be caused by nucleation and growth of untransformed domains or through variant selection by stresses imposed by neighboring grains. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. RP Wenk, HR (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, McCone Hall, Berkeley, CA 94720 USA. EM wenk@seismo.berkeley.edu NR 29 TC 49 Z9 50 U1 3 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2004 VL 52 IS 7 BP 1899 EP 1907 DI 10.1016/j.actamat.2003.12.029 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 814VD UT WOS:000221001300013 ER PT J AU Haslam, AJ Yamakov, V Moldovan, D Wolf, D Phillpot, SR Gleiter, H AF Haslam, AJ Yamakov, V Moldovan, D Wolf, D Phillpot, SR Gleiter, H TI Effects of grain growth on grain-boundary diffusion creep by molecular-dynamics simulation SO ACTA MATERIALIA LA English DT Article DE dynamic grain growth; grain-boundary migration; grain-boundary sliding; grain-boundary diffusion creep; grain rotation ID HIGH-TEMPERATURE DEFORMATION; SUPERPLASTIC DEFORMATION; FCC METALS; NANOCRYSTALLINE AL; ALLOY; STRAIN; DISLOCATIONS; MECHANISMS; MIGRATION; FATIGUE AB Molecular-dynamics simulations are used to elucidate the effects of grain growth on grain-boundary diffusion creep and grain-boundary sliding, during high-temperature deformation of a nanocrystalline Pd model microstructure. The initial microstructure consists of a 25-grain polycrystal with an average grain size of about 15 nm and a columnar grain shape. Prior to the onset of significant grain growth, the deformation proceeds via the mechanism of Coble creep accompanied by grain-boundary sliding. While grain growth is generally known to decrease the creep rate due to the increase of the average grain size, the results obtained in this Study reveal an enhanced creep rate at the onset of the grain growth, when rapid grain-boundary migration occurs. The enhanced creep rate is shown to arise from topological changes during the initial growth phases, which enhance both the stress-induced grain-boundary diffusive fluxes and grain-boundary sliding. Dislocations generated as a result of grain-rotation-induced grain coalescence and grain-boundary decomposition in the vicinity of certain triple junctions also contribute to the deformation. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Forschungszentrum Karlsruhe, D-76021 Karlsruhe, Germany. RP Wolf, D (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn & Chem Technol, S Kensington Campus, London SW7 2AZ, England. EM wolf@anl.gov RI Phillpot, Simon/J-9117-2012; OI Phillpot, Simon/0000-0002-7774-6535 NR 56 TC 37 Z9 40 U1 5 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2004 VL 52 IS 7 BP 1971 EP 1987 DI 10.1016/j.actamat.2003.12.048 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 814VD UT WOS:000221001300020 ER PT J AU Ogi, H Kai, S Ledbetter, H Tarumi, R Hirao, M Takashima, K AF Ogi, H Kai, S Ledbetter, H Tarumi, R Hirao, M Takashima, K TI Titanium's high-temperature elastic constants through the hcp-bcc phase transformation SO ACTA MATERIALIA LA English DT Article DE elastic behavior; strain ageing; acoustic methods; titanium; martensitic phase transformation ID ELEVATED-TEMPERATURES; SPECTROSCOPY; TRANSITION; METALS; NB3SN AB The five independent elastic constants of hexagonal monocrystal titanium were determined Lip to the phase-transformation temperature. and the two isotropic elastic constants of polycrystalline titanium were determined beyond, up to 1300 K. Anomalous temperature dependences were observed just below the phase-transformation temperature: C-11 and C-66 increase with increasing temperature whereas C-33 and C-44 remarkably decrease, for example. To determine the C-ij, we used the free-vibration resonance frequencies obtained by electromagnetic acoustic resonance. After the phase transformation, the resonance frequencies changed little with the temperature increase, showing that the bcc-phase elastic constants change little with temperature. The polycrystalline elastic constants remained unchanged up to 1300 K after the phase transformation. The anomalous temperature dependence near the transformation is interpreted in terms of the small c/a ratio of the hcp phase and change of the atomic distances to meet the Burgers lattice relationship. Temperature-in sensitive elastic constants in the bcc phase suggest the stabilizing of the bee phase with increasing temperature. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Tokyo Inst Technol, Precis & Intelligence Lab, Yokohama, Kanagawa 2268503, Japan. RP Ogi, H (reprint author), Osaka Univ, Grad Sch Engn Sci, 1-3,Toyonaka, Toyonaka, Osaka 5608531, Japan. EM ogi@me.es.osaka-u.ac.jp NR 27 TC 44 Z9 45 U1 4 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2004 VL 52 IS 7 BP 2075 EP 2080 DI 10.1016/j.actamat.2004.01.002 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 814VD UT WOS:000221001300030 ER PT J AU Sugama, T Brothers, LE AF Sugama, T Brothers, LE TI Sodium-silicate-activated slag for acid-resistant geothermal well cements SO ADVANCES IN CEMENT RESEARCH LA English DT Article ID HYDRATION AB This paper evaluates the usefulness of sodium-silicate-activated slag (SSAS) cement for completing geothermal wells containing highly concentrated H2SO4 and some CO2. Using a 20wt% sodium silicate solution (SiO2/Na2O mol ratio of 3.22) as the alkali activator, the SSAS cements autoclaved at temperatures up to 200degreesC displayed an outstanding compressive strength of more than 80 MPa, and a minimum water permeability of less than 3.0 x 10(-5) darcy. The combination of calcium-silicate-hydrate (C-S-H) and tobermorite phases was responsible for strengthening and densifying the autoclaved cement. At 300degreesC, an excessive growth of well-formed tobermorite and xonotlite crystals generated an undesirable porous microstructure, causing the retrogression of strength and enhancing water permeability. Although all the phases formed in the autoclaved cements were vulnerable to reactions with H2SO4, so depositing bassanite scales as corrosion product over the cement surfaces, the C-S-H phase played an important role in retarding the rate of acid erosion. Thus, after the uptake of Ca by the H2SO4, Ca-destitute C-S-H preferentially reacted with the Mg from the slag to form the lizardite phase that not only retarded the rate of acid erosion, but also retained the integrity of the cementitious structure. Therefore, SSAS cement has good potential as an acid-resistant geothermal well cement at temperatures up to 200degreesC. C1 Brookhaven Natl Lab, Energy Sci & Technol Dept, Energy Resources Div, Upton, NY 11973 USA. Halliburton, Duncan, OK 73536 USA. RP Sugama, T (reprint author), Brookhaven Natl Lab, Energy Sci & Technol Dept, Energy Resources Div, Bldg 526 12 N 6th St, Upton, NY 11973 USA. NR 8 TC 6 Z9 6 U1 1 U2 10 PU THOMAS TELFORD SERVICES LTD PI LONDON PA THOMAS TELFORD HOUSE, 1 HERON QUAY, LONDON E14 4JD, ENGLAND SN 0951-7197 J9 ADV CEM RES JI Adv. Cem. Res. PD APR PY 2004 VL 16 IS 2 BP 77 EP 87 DI 10.1680/adcr.16.2.77.36256 PG 11 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 844EZ UT WOS:000223141600005 ER PT J AU Imhoff, PT Tompson, AFB AF Imhoff, PT Tompson, AFB TI A tribute to George F. Pinder - Preface SO ADVANCES IN WATER RESOURCES LA English DT Editorial Material C1 Univ Delaware, Dept Civil & Environm Engn, Newark, DE 19711 USA. Lawrence Livermore Natl Lab, Div Environm Sci, Livermore, CA 94551 USA. RP Imhoff, PT (reprint author), Univ Delaware, Dept Civil & Environm Engn, Newark, DE 19711 USA. EM afbt@llnl.gov RI Imhoff, Paul/B-5085-2013 NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD APR PY 2004 VL 27 IS 4 BP 307 EP 309 DI 10.1016/j.advwatres.2004.02.002 PG 3 WC Water Resources SC Water Resources GA 817LN UT WOS:000221179100001 ER PT J AU Prausnitz, JM Tavares, FW AF Prausnitz, JM Tavares, FW TI Thermodynamics of fluid-phase equilibria for standard chemical engineering operations SO AICHE JOURNAL LA English DT Review DE fluid-phase equilibria; chemical thermodynamics; equations of state ID VAPOR-LIQUID-EQUILIBRIA; DIRECTIONAL ATTRACTIVE FORCES; PENG-ROBINSON EQUATION; EXCESS GIBBS ENERGY; DILUTION ACTIVITY-COEFFICIENTS; UNIFAC GROUP-CONTRIBUTION; LOCAL COMPOSITION MODEL; VOLATILE WEAK ELECTROLYTES; MONTE-CARLO-SIMULATION; OF-ROTATORS EQUATION AB Thermodynamics provides one of the scientific cornerstones of chemical engineering. This review considers how thermodynamics is and has been used to provide phase equilibria as required for design of standard chemical engineering processes with emphasis on distillation and other conventional separation operations. While this review does not consider "modern" thermodynamics for high-tech applications, attention is given to 50 years of progress in developing excess-Gibbs-energy models and engineering-oriented equations of state; these developments indicate rising use of molecular physics and statistical mechanics whose application for chemical process design is made possible by increasingly powerful computers. As yet, results from molecular simulations have not had a major influence on thermodynamics for conventional chemical engineering; however, it is likely that molecular simulation methods will become increasingly useful, especially when supported by quantum-mechanical calculations for describing intermolecular forces in complex systems. (C) 2004 American Institute of Chemical Engineers. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Fed Rio de Janeiro, Escola Quim, BR-21949900 Rio De Janeiro, Brazil. RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM prausnit@cchem.berkeley.edu NR 197 TC 65 Z9 66 U1 4 U2 46 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0001-1541 J9 AICHE J JI AICHE J. PD APR PY 2004 VL 50 IS 4 BP 739 EP 761 DI 10.1002/aic.10069 PG 23 WC Engineering, Chemical SC Engineering GA 815DO UT WOS:000221023200002 ER PT J AU Weigle, JC Phillips, J AF Weigle, JC Phillips, J TI Modeling hydrogen spillover in dual-bed catalytic reactors SO AICHE JOURNAL LA English DT Article DE spillover; dual catalyst bed; reactor analysis; mathematical modeling ID GAS-PHASE; MOLECULAR-HYDROGEN; BUTENE ISOMERIZATION; PHYSICAL MIXTURES; IRIDIUM-ALUMINA; HYDROISOMERIZATION; SYNERGISM; SURFACES; ABSENCE; METALS AB A semiquantitative model was developed to describe hydrogen spillover in dual-bed catalytic reactors. In previous studies it has been conclusively demonstrated that hydrogen can diffuse macroscopic distances and activate catalytic sites. The test reaction in those studies was the isomerization of 1-butene to 2-butene. The model is derived based on the fundamental principles of transport phenomena and reaction kinetics. Because many of the required values in the model are unknown, it cannot be solved quantitatively. Thus, a parametric analysis was conducted. The model successfully predicts trends observed experimentally. Specifically, the activity increases nonlinearly as the bed composition changes, the selectivity was low for all dual-bed reactors, and the selectivity was high for well-mixed catalyst beds. (C) 2004 American Institute of Chemical Engineers. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Phillips, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jphillips@lanl.gov RI Phillips, Jonathan/D-3760-2011 NR 21 TC 8 Z9 8 U1 2 U2 6 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0001-1541 J9 AICHE J JI AICHE J. PD APR PY 2004 VL 50 IS 4 BP 821 EP 828 DI 10.1002/aic.10077 PG 8 WC Engineering, Chemical SC Engineering GA 815DO UT WOS:000221023200010 ER PT J AU Fridriksson, T Neuhoff, PS Viani, BE Bird, DK AF Fridriksson, T Neuhoff, PS Viani, BE Bird, DK TI Experimental determination of thermodynamic properties of ion-exchange in heulandite: Binary ion-exchange experiments at 55 and 85 degrees C involving Ca2+, Sr2+, Na+, and K+ SO AMERICAN JOURNAL OF SCIENCE LA English DT Article ID RADIOSTRONTIUM-CONTAMINATED SOILS; NATURAL ZEOLITES; AQUEOUS-SOLUTIONS; EASTERN ICELAND; CRYSTAL-STRUCTURES; CHEMICAL APPROACH; CLINOPTILOLITE; CHEMISTRY; WATER; TEMPERATURE AB Heulandite is a common rock-forming zeolite that exhibits wide solid solution of extraframework cations, presumably due to ready ion exchange with aqueous solutions. In order to provide a quantitative basis for interpreting and predicting the distribution of aqueous species between heulandite and aqueous solutions, ion exchange equilibrium between heulandite and aqueous solutions with respect to the binary canon pairs Ca2+ - K+, Ca2+ - Na+, K+ - Na+, K+ - Sr2+, Na+ - Sr2+, and Ca2+ - Sr2+ was investigated. Homoionic Ca-, K-, and Na-heulandites prepared from natural heulandite were equilibrated with 0.1 N Cl- solutions containing various proportions of the cations in a given binary pair at 55 and 85 degreesC to define isotherms describing partitioning of the cations over a wide range of heulandite and solution composition with respect to the cations in each pair. In general, the experiments equilibrated rapidly within 11 to 15 weeks at 55 degreesC and 3 to 4 weeks at 85 degreesC. The exception was the Ca2+ - Sr2+ binary exchange, which did not equilibrate even after 3 months at 55 degreesC and 4 weeks at 85 C. Slow exchange of Sr2+ for Ca2+ also prohibited preparation of homoionic Sr-heulandite from the natural (Ca-rich) heulandite within 10 weeks in 2N SrCl2 solution at 90 C, although near homoionic Sr-heulandite was produced by exchange of K and Na-heulandite. Experimentally determined isotherms were used to derive equilibrium constants for the ion exchange reactions and asymmetric Margules models describing the extent of non-ideality in extraframework solid solutions in heulandite. Regressed equilibrium constants for Ca2+-Na+, Ca2+-K+, and K+-Na+ binary cadon pairs at 55 degreesC are internally consistent among each other (complying with the triangle rule), indicating good accuracy of these data. The maximum departure from internal consistency among the equilibrium constants for three binary pairs was 900 J per mole of charge equivalents (eq) for the 55 degreesC experiments and 2300 J eq(-1) for the 85 degreesC experiments. The applicability of the present experimental results and thermodynamic models was assessed by calculating the composition of heulandite in Icelandic geothermal systems from known compositions using the regressed thermodynamic properties of Ca2+-Na+ exchange at 85 degreesC. Calculations predict an average Ca mole fraction [defined as Ca/(Ca+Na)] in heulandite of 0.74, in excellent agreement with observed compositions of heulandite from geothermal and metamorphic systems in Iceland (0.75). Thermodynamic data for heulandite ion-exchange derived in this study can be used to predict partitioning of Ca, K, Na, and Sr between heulandite and aqueous solutions in geologic systems. Because heulandite is the most effective sink for Sr in basaltic aquifers that have undergone zeolite facies metamorphism, the experimental results of this study will provide essential data for modeling Sr transport in aquifers in low-grade metabasalts. C1 Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. GeoSurvey Iceland, IS-108 Reykjavik, Iceland. Univ Florida, Dept Geol Sci, Gainesville, FL 32611 USA. Lawrence Livermore Natl Lab, Biogeochem Dynam Grp, Livermore, CA 94550 USA. RP Fridriksson, T (reprint author), Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. EM thf@isor.is NR 69 TC 11 Z9 11 U1 2 U2 8 PU AMERICAN JOURNAL OF SCIENCE PI NEW HAVEN PA YALE UNIV, PO BOX 208109, NEW HAVEN, CT 06520-8109 USA SN 0002-9599 J9 AM J SCI JI Am. J. Sci. PD APR PY 2004 VL 304 IS 4 BP 287 EP 332 DI 10.2475/ajs.304.4.287 PG 46 WC Geosciences, Multidisciplinary SC Geology GA 837FV UT WOS:000222614800001 ER PT J AU O'Day, PA Rivera, N Root, R Carroll, SA AF O'Day, PA Rivera, N Root, R Carroll, SA TI X-ray absorption spectroscopic study of Fe reference compounds for the analysis of natural sediments SO AMERICAN MINERALOGIST LA English DT Article ID PRINCIPAL COMPONENT ANALYSIS; MULTIPLE-SCATTERING CALCULATIONS; QUANTITATIVE ZN SPECIATION; NAVAL-AIR-STATION; FINE-STRUCTURE; EXAFS SPECTROSCOPY; CONTAMINATED SOILS; CRYSTAL-STRUCTURE; MINERAL SURFACES; METAL SPECIATION AB Synchrotron X-ray absorption spectroscopy (XAS) is becoming an increasingly popular tool for the analysis of element speciation in complex natural mixtures such as soils and sediments. Identification of a particular mineral or amorphous solid in a heterogeneous mixture by XAS depends on the spectral uniqueness of the element in the bonding environment associated with a component, and on absorption effects from the components and the matrix. A suite of 27 common, Fe-bearing reference compounds, including sulfides, carbonates, phosphates, oxides, oxyhydroxides, and phyllosilicates, was analyzed to empirically assess the utility of X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) for identifying a particular Fe mineral (or class of minerals) in a soil or sediment mixture. We show that XANES spectral features are useful for distinguishing qualitatively among major mineral classes, but not necessarily for identifying minerals within classes. A practical detection limit (based on empirical mixtures) for most mineral classes is on the order of 5% of the total atomic Fe absorption, but detection limits vary depending on the spectral uniqueness of the components, the number of components, and the matrix. Calibration curves for Fe sulfide and non-sulfide (phyllosilicate oxide) component mixtures were made independently from the analyses of XANES and EXAFS fluorescence spectra of binary and ternary mineral mixtures (at 5% total Fe) in a quartz matrix to mimic natural sediments. Because of differences in sample and matrix absorption and fluorescence among sulfide and phyllosilicate minerals, apparent component fractions of pyrite derived from fits deviated significantly from linear binary mixtures. We show that corrections for non-linear fluorescence (as much as 20%) are particularly important for binary mineral mixtures with different densities and absorption characteristics (such as sulfides and phyllosilicates), and for mixtures with similar component abundances (i.e., far from one end-member). An application of the fluorescence calibration for XANES and EXAFS is shown for natural samples. This study points out the importance of a high-quality, experimentally consistent reference compound library, and the need for calibration of fluorescence spectra, in order to quantify accurately the component fractions of complex mixtures using XAS. C1 Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. Arizona State Univ, Dept Geol Sci, Tempe, AZ 85287 USA. Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. Arizona State Univ, Dept Geol Sci, Tempe, AZ 85287 USA. Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94550 USA. RP O'Day, PA (reprint author), Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. EM poday@ucmerced.edu NR 73 TC 126 Z9 127 U1 7 U2 61 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD APR PY 2004 VL 89 IS 4 BP 572 EP 585 PG 14 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 809SZ UT WOS:000220657700012 ER PT J AU Song, JM Vo-Dinh, T AF Song, JM Vo-Dinh, T TI Miniature biochip system for detection of Escherichia coli O157 : H7 based on antibody-immobilized capillary reactors and enzyme-linked immunosorbent assay SO ANALYTICA CHIMICA ACTA LA English DT Article DE biochip; enzyme-linked immunosorbent assay; Escherichia coli O157 : H7; antibody-immobilized capillary ID ARRAY ELECTROPHORESIS; MICROCHIP SYSTEM; TECHNOLOGY; ELISA AB In this work, we report Escherichia coli O157:H7 detection using antibody-immobilized capillary reactors, enzyme-linked immunosorbent assay (ELISA), and a biochip system. ELISA selective immunological method to detect pathogenic bacteria. ELISA is also directly adaptable to a miniature biochip system that utilizes conventional sample platforms such as polymer membranes and glass. The antibody-immobilized capillary reactor is a very attractive sample platform for ELISA because of its low cost, compactness, reuse, and ease of regeneration. Moreover, an array of capillary reactors can provide high-throughput ELISA. In this report, we describe the use of an array of antibody-immobilized capillary reactors for multiplex detection of E. coli O157:H7 in our miniature biochip system. Side-entry laser beam irradiation to an array of capillary reactors contributes significantly to miniaturized optical configuration for this biochip system. The detection limits of E. coli O157:H7 using the ELISA and Cy5 label-based immunoassays were determined to be 3 and 230 cells, respectively. This system shows capability to simultaneously monitor multifunctional immunoassay and high sensitive detection of E. coli O157:H7. (C) 2003 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Life Sci Div, Adv Biomed Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, Life Sci Div, Adv Biomed Sci & Technol Grp, POB 2008, Oak Ridge, TN 37831 USA. EM vodinht@ornl.gov NR 21 TC 27 Z9 30 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD APR 1 PY 2004 VL 507 IS 1 BP 115 EP 121 DI 10.1016/j.aca.2003.11.072 PG 7 WC Chemistry, Analytical SC Chemistry GA 778FH UT WOS:000189228400013 ER PT J AU Dixit, NM Markowitz, M Ho, DD Perelson, AS AF Dixit, NM Markowitz, M Ho, DD Perelson, AS TI Estimates of intracellular delay and average drug efficacy from viral load data of HIV-infected individuals under antiretroviral therapy SO ANTIVIRAL THERAPY LA English DT Article ID IMMUNODEFICIENCY-VIRUS TYPE-1; DYNAMICS IN-VIVO; T-CELLS; PROTEASE INHIBITORS; POPULATION-DYNAMICS; GENE-EXPRESSION; CLEARANCE RATE; LIFE-CYCLE; PHARMACOKINETICS; DECAY AB We analyse viral load data of five patients under ritonavir monotherapy using a model of HIV dynamics under antiretroviral therapy that includes both drug pharmacokinetics and the intracellular delay from the time of cell infection to viral production. Using this approach we separate pharamacokinetic from intracellular delays, and obtain new estimates of intracellular delay and the antiviral efficacy of ritonavir. We find the average intracellular delay to be 1 day, in agreement with experiments. The average viral generation time is now estimated at 2 days, resulting in similar to 180 replication cycles per year. The model also reveals that ritonavir monotherapy is similar to 65% as efficacious as a recently used potent four-drug therapy, suggesting that selection for drug resistance may be facilitated by the relatively low efficacy of individual drugs, contributing in part to the inherent limitations of current therapies in combating HIV-1 infection. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. Rockefeller Univ, Aaron Diamond AIDS Res Ctr, New York, NY 10021 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87544 USA. EM asp@lanl.gov FU NCRR NIH HHS [RR06555]; NIAID NIH HHS [AI28433] NR 36 TC 48 Z9 48 U1 0 U2 1 PU INT MEDICAL PRESS LTD PI LONDON PA 2-4 IDOL LANE, LONDON EC3R 5DD, ENGLAND SN 1359-6535 J9 ANTIVIR THER JI Antivir. Ther. PD APR PY 2004 VL 9 IS 2 BP 237 EP 246 PG 10 WC Infectious Diseases; Pharmacology & Pharmacy; Virology SC Infectious Diseases; Pharmacology & Pharmacy; Virology GA 960TF UT WOS:000231615400011 PM 15134186 ER PT J AU Dai, ZY Mao, XX Magnuson, JK Lasure, LL AF Dai, ZY Mao, XX Magnuson, JK Lasure, LL TI Identification of genes associated with morphology in Aspergillus niger by using suppression subtractive hybridization SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID CITRIC-ACID FERMENTATION; PROTEIN BETA-SUBUNIT; TUMEFACIENS-MEDIATED TRANSFORMATION; POLYMERASE-CHAIN-REACTION; FILAMENTOUS FUNGI; SACCHAROMYCES-CEREVISIAE; PENICILLIUM-CHRYSOGENUM; MANGANESE DEFICIENCY; MYCELIAL MORPHOLOGY; GROWTH AB The morphology of citric acid production strains of Aspergillus niger is sensitive to a variety of factors, including the concentration of manganese (Mn2+). Upon increasing the Mn2+ concentration in A. niger (ATCC 11414) cultures to 14 ppb or higher, the morphology switches from pelleted to filamentous, accompanied by a rapid decline in citric acid production. The molecular mechanisms through which Mn2+ exerts effects on morphology and citric acid production in A. niger cultures have not been well defined, but our use of suppression subtractive hybridization has identified 22 genes responsive to Mn2+. Fifteen genes were differentially expressed when A. niger was grown in media containing 1,000 ppb of Mn2+ (filamentous form), and seven genes were expressed in 10 ppb of Mn2+ (pelleted form). Of the 15 filament-associated genes, seven are novel and eight share 47 to 100% identity with genes from other organisms. Five of the pellet-associated genes are novel, and the other two genes encode a pepsin-type protease and polyubiquitin. All 10 genes with deduced functions are either involved in amino acid metabolism-protein catabolism or cell regulatory processes. Northern blot analysis showed that the transcripts of all 22 genes were rapidly enhanced or suppressed by Mn2(+). Steady-state mRNA levels of six selected filament-associated genes remained high during 5 days of culture in a filamentous state and remained low under pelleted growth conditions. The opposite behavior was observed for four selected pellet-associated genes. The full-length cDNA of the filament-associated clone, Brsa-25, was isolated. Antisense expression of Brsa-25 permitted pelleted growth and increased citrate production at concentrations of Mn2+ that were higher than the parent strain could tolerate. These results suggest the involvement of the newly isolated genes in the regulation of A. niger morphology. C1 Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Proc Sci & Engn Div, Richland, WA 99352 USA. RP Lasure, LL (reprint author), Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Proc Sci & Engn Div, 902 Battelle Blvd,POB 999,MSIN K2-12, Richland, WA 99352 USA. NR 59 TC 25 Z9 26 U1 2 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD APR PY 2004 VL 70 IS 4 BP 2474 EP 2485 DI 10.1128/AEM.70.4.2474-2485.2004 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 811SS UT WOS:000220792200070 PM 15066846 ER PT J AU Sinclair, MB Timlin, JA Haaland, DM Werner-Washburne, M AF Sinclair, MB Timlin, JA Haaland, DM Werner-Washburne, M TI Design, construction, characterization, and application of a hyperspectral microarray scanner SO APPLIED OPTICS LA English DT Article ID GREEN FLUORESCENT PROTEIN; GENE-EXPRESSION; DNA MICROARRAYS; SPECTROSCOPY; IDENTIFICATION AB We describe the design, construction, and operation of a hyperspectral microarray scanner for functional genomic research. The hyperspectral instrument operates with spatial resolutions ranging from 3 to 30 mum and records the emission spectrum between 490 and 900 nm with a spectral resolution of 3 run for each pixel of the microarray. This spectral information, when coupled with multivariate data analysis techniques, allows for identification and elimination of unwanted artifacts and greatly improves the accuracy of microarray experiments. Microarray results presented in this study clearly demonstrate the separation of fluorescent label emission from the spectrally overlapping emission due to the underlying glass substrate. We also demonstrate separation of the emission due to green fluorescent protein expressed by yeast cells from the spectrally overlapping autofluorescence of the yeast cells and the growth media. (C) 2004 Optical Society of America. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. RP Sinclair, MB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mbsincl@sandia.gov OI Timlin, Jerilyn/0000-0003-2953-1721 FU NHGRI NIH HHS [HG02262]; NIGMS NIH HHS [GM67593] NR 27 TC 59 Z9 60 U1 0 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 1 PY 2004 VL 43 IS 10 BP 2079 EP 2088 DI 10.1364/AO.43.002079 PG 10 WC Optics SC Optics GA 807HY UT WOS:000220493800014 PM 15074416 ER PT J AU Rodolfa, KT Cremers, DA AF Rodolfa, KT Cremers, DA TI Capabilities of surface composition analysis using a long laser-induced breakdown spectroscopy spark SO APPLIED SPECTROSCOPY LA English DT Article DE laser-induced breakdown spectroscopy; LIBS; elemental mapping; long spark ID INDUCED PLASMA SPECTROSCOPY; SPECTROMETRY; PAPER AB An apparatus has been investigated based on laser-induced breakdown spectroscopy (LIBS) for the rapid determination of the spatial distribution of elements on surfaces. Cylindrical optics are used to create a linear spark approximately 1 cm in length. Light emitted by atoms excited along the spark is collected and provides a spatial profile of elemental composition in the sample when analyzed with a spectrometer and gated charge-coupled device (ICCD) detector. Moving the spark across the sample surface as spectral data is recorded at regularly spaced intervals allows for the development of a three-dimensional elemental distribution map (emission intensity versus spatial distribution across an area). An analysis of the spatial resolution of this methodology is presented along with representative data from several sample types. Application of full-image analysis allowing for simultaneous investigations into the spatial distributions of multiple elements is also discussed and results are presented. C1 Los Alamos Natl Lab, Nucl Mat Management Div, Grp NMT 15, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Chem, Grp C ADI, Los Alamos, NM 87545 USA. RP Rodolfa, KT (reprint author), Harvey Mudd Coll, 340 E Foothill Blvd, Claremont, CA 91711 USA. NR 19 TC 12 Z9 12 U1 1 U2 5 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD APR PY 2004 VL 58 IS 4 BP 367 EP 375 DI 10.1366/000370204773580185 PG 9 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 810AT UT WOS:000220677900002 PM 17140490 ER PT J AU Funk, DJ Calgaro, F Averitt, RD Asaki, MLT Taylor, AJ AF Funk, DJ Calgaro, F Averitt, RD Asaki, MLT Taylor, AJ TI THz transmission spectroscopy and imaging: Application to the energetic materials PBX 9501 and PBX 9502 SO APPLIED SPECTROSCOPY LA English DT Article DE THz spectroscopy; explosives; imaging ID TERAHERTZ BEAMS AB We report the measurement of the effective complex index of refraction near 1 THz for the Plastic-Bonded eXplosives PBX 9501 and PBX 9502. These plastic-bonded explosives consist of organic crystalline energetic materials, HMX and TATB, embedded in a binder matrix. We find that they are partially transparent at a few hundred GHz and we have applied a two-dimensional imaging technique for the detection of pre-fabricated defects in small samples. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Funk, DJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 9 TC 19 Z9 21 U1 3 U2 8 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD APR PY 2004 VL 58 IS 4 BP 428 EP 431 DI 10.1366/000370204773580275 PG 4 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 810AT UT WOS:000220677900011 PM 17140492 ER PT J AU Tarumi, T Small, GW Combs, RJ Kroutil, RT AF Tarumi, T Small, GW Combs, RJ Kroutil, RT TI Digital filtering implementations for the detection of broad spectral features by direct analysis of passive Fourier transform infrared interferograms SO APPLIED SPECTROSCOPY LA English DT Article DE digital filtering; finite impulse response filters; Fourier transform infrared spectrometry; FT-IR spectrometry; interferogram; remote sensing ID SUPPORT VECTOR MACHINES; AUTOMATED DETECTION; PATTERN-RECOGNITION; REMOTE DETECTION; 2ND DERIVATIVES; SPECTROMETRY; PLUMES; IDENTIFICATION; SPECTROSCOPY; VEGETATION AB Finite impulse response (FIR) filters and finite impulse response matrix (FIRM) filters are evaluated for use in the detection of volatile organic compounds with wide spectral bands by direct analysis of interferogram data obtained from passive Fourier transform infrared (FT-IR) measurements. Short segments of filtered interferogram points are classified by support vector machines (SVMs) to implement the automated detection of heated plumes of the target analyte, ethanol. The interferograms employed in this study were acquired with a downward-looking passive FT-IR spectrometer mounted on a fixed-wing aircraft. Classifiers are trained with data collected on the ground and subsequently used for the airborne detection. The success of the automated detection depends on the effective removal of background contributions from the interferogram segments. Removing the background signature is complicated when the analyte spectral bands are broad because there is significant overlap between the interferogram representations of the analyte and background. Methods to implement the FIR and FIRM filters while excluding background contributions are explored in this work. When properly optimized, both filtering procedures provide satisfactory classification results for the airborne data. Missed detection rates of 8% or smaller for ethanol and false positive rates of at most 0.8% are realized. The optimization of filter design parameters, the starting interferogram point for filtering, and the length of the interferogram segments used in the pattern recognition is discussed. C1 Ohio Univ, Dept Chem & Biochem, Ctr Intelligent Chem Instrumentat, Clippinger Labs, Athens, OH 45701 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Small, GW (reprint author), Ohio Univ, Dept Chem & Biochem, Ctr Intelligent Chem Instrumentat, Clippinger Labs, Athens, OH 45701 USA. NR 27 TC 5 Z9 6 U1 1 U2 2 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD APR PY 2004 VL 58 IS 4 BP 432 EP 441 DI 10.1366/000370204773580284 PG 10 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 810AT UT WOS:000220677900012 PM 17140493 ER PT J AU Heber, E Trivillin, VA Nigg, D Kreimann, EL Itoiz, ME Rebagliati, RJ Batistoni, D Schwint, AE AF Heber, E Trivillin, VA Nigg, D Kreimann, EL Itoiz, ME Rebagliati, RJ Batistoni, D Schwint, AE TI Biodistribution of GB-10 (Na-2 (B10H10)-B-10) compound for boron neutron capture therapy (BNCT) in an experimental model of oral cancer in the hamster cheek pouch SO ARCHIVES OF ORAL BIOLOGY LA English DT Article DE GB-10; BNCT; oral cancer; hamster cheek pouch ID PARA-BORONOPHENYLALANINE; BRAIN-TUMORS; NECK-CANCER; GLIOBLASTOMA-MULTIFORME; INTRACEREBRAL MELANOMA; P-BORONOPHENYLALANINE; SELECTIVE DELIVERY; NA2B12H11SH BSH; PHASE-I; HEAD AB Objective: We previously proposed the hamster cheek pouch model of oral cancer for BNCT studies. We herein present the biodistribution of a non-toxic boron compound, GB-10 ((Na2B10H10)-B-10), in this model to assess its potential for BNCT or BNCT enhanced Fast Neutron Therapy. Materials and methods: We evaluated the uptake and retention of GB-10 in tumour and precancerous tissue and in potentially dose-limiting, clinically relevant normal tissues. Results: Mean tumour boron concentration delivered by GB-10 (50 mg B/kg) peaked to 77.7 +/- 28.0 ppm at 20 min post-ad ministration and remained at therapeutically useful values of 31.9 +/- 21.4 ppm at 3 h. The clearance rate for normal tissues was faster than for tumour tissue. The consistently low brain and spinal cord values would preclude normal tissue toxicity. The uptake of GB-10 by precancerous tissue may be of potential use in the treatment of field cancerized areas. GB-10 was deposited homogeneously in different tumour areas, an asset when treating heterogenous tumours. The data suggests that the joint administration of BPA and GB-10 may improve the therapeutic efficacy of BNCT. Conclusions: GB-10 is a potential boron carrier for BNCT of head and neck tumours and for BNCT-FNT. (C) 2003 Elsevier Ltd. All rights reserved. C1 Natl Atom Energy Commiss, Dept Radiobiol, RA-1429 Buenos Aires, DF, Argentina. Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. Univ Buenos Aires, Fac Dent, Dept Oral Pathol, RA-1122 Buenos Aires, DF, Argentina. Natl Atom Energy Commiss, Dept Chem, Buenos Aires, DF, Argentina. RP Schwint, AE (reprint author), Natl Atom Energy Commiss, Dept Radiobiol, 2525 N Fremont St,POB 1625, RA-1429 Buenos Aires, DF, Argentina. EM schwint@cnea.gov.ar NR 44 TC 24 Z9 24 U1 1 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0003-9969 J9 ARCH ORAL BIOL JI Arch. Oral Biol. PD APR PY 2004 VL 49 IS 4 BP 313 EP 324 DI 10.1016/j.archoralbio.2003.10.003 PG 12 WC Dentistry, Oral Surgery & Medicine SC Dentistry, Oral Surgery & Medicine GA 804SC UT WOS:000220317400008 PM 15003550 ER PT J AU Georgieva, AM van Greevenbroek, MMJ Krauss, RM Brouwers, MCGJ Vermeulen, VMMJ Robertus-Teunissen, MG van der Kallen, CJH de Bruin, TWA AF Georgieva, AM van Greevenbroek, MMJ Krauss, RM Brouwers, MCGJ Vermeulen, VMMJ Robertus-Teunissen, MG van der Kallen, CJH de Bruin, TWA TI Subclasses of low-density lipoprotein and very low-density lipoprotein in familial combined hyperlipidemia: Relationship to multiple lipoprotein phenotype SO ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY LA English DT Article DE sd LDL; apolipoprotein B; triglycerides; insulin resistance; VLDL ID CORONARY HEART-DISEASE; ELEVATED APOLIPOPROTEIN-B; LDL PARTICLE-SIZE; PLASMA-LIPOPROTEINS; METABOLISM; INSULIN; HETEROGENEITY; GENE; ASSOCIATION; LINKAGE AB Objective-The present study addresses the presence of distinct metabolic phenotypes in familial combined hyperlipidemia (FCHL) in relation to small dense low-density lipoprotein (sd LDL) and very low-density lipoprotein (VLDL) subclasses. Methods and Results-Hyperlipidemic FCHL relatives (n=72) were analyzed for LDL size by gradient gel electrophoresis. Pattern B LDL (sd LDL, particle size <258 &ANGS;) and pattern A LDL (buoyant LDL, particle size &GE;258 &ANGS;) were defined. Analyses showed bimodal distribution of LDL size associated with distinct phenotypes. Subjects with predominantly large, buoyant LDL showed a hypercholesterolemic phenotype and the highest apo B levels. Subjects with predominantly sd LDL showed a hypertriglyceridemic, low high-density lipoprotein (HDL) cholesterol phenotype, with moderately elevated apoB, total cholesterol level, and LDL cholesterol level. Subjects with both buoyant LDL and sd LDL (pattern AB, n=7) showed an intermediate phenotype, with high normal plasma triglycerides. VLDL subfraction analysis showed that the sd LDL phenotype was associated with a 10-times higher number of VLDL1 particles of relatively lower apo AI and apo E content, as well as smaller VLDL2 particles, in combination with increased plasma insulin concentration in comparison to pattern A. Conclusions-The present observations underscore the importance of the VLDL triglyceride metabolic pathway in FCHL as an important determinant of the phenotypic heterogeneity of the disorder. C1 Univ Maastricht, Dept Med, Lab Mol Metab & Endocrinol, Cardiovasc Res Inst Maastricht, Maastricht, Netherlands. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP de Bruin, TWA (reprint author), Acad Hosp Maastricht, Dept Internal Med & Endocrinol, POB 5800, NL-6202 AZ Maastricht, Netherlands. EM tdb@sint.azm.nl FU NHLBI NIH HHS [HL-18574] NR 30 TC 19 Z9 20 U1 1 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1079-5642 J9 ARTERIOSCL THROM VAS JI Arterioscler. Thromb. Vasc. Biol. PD APR PY 2004 VL 24 IS 4 BP 744 EP 749 DI 10.1161/01.ATV.0000119681.47218.a4 PG 6 WC Hematology; Peripheral Vascular Disease SC Hematology; Cardiovascular System & Cardiology GA 808SH UT WOS:000220588300022 PM 14751815 ER PT J AU Dieckmann, J Roth, KW Brodrick, J AF Dieckmann, J Roth, KW Brodrick, J TI Liquid desiccant air conditioners SO ASHRAE JOURNAL LA English DT Article C1 TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Dieckmann, J (reprint author), TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. NR 6 TC 2 Z9 2 U1 0 U2 2 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD APR PY 2004 VL 46 IS 4 BP 58 EP 59 PG 2 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 811SJ UT WOS:000220791300018 ER PT J AU Lee, BC Allam, SS Tucker, DL Annis, J Johnston, DE Scranton, R Acebo, Y Bahcall, NA Bartelmann, M Bohriner, H Ellman, N Grebel, EK Infante, L Loveday, J McKay, TA Prada, F Schneider, DP Stoughton, C Szalay, AS Vogeley, MS Voges, W Yanny, B AF Lee, BC Allam, SS Tucker, DL Annis, J Johnston, DE Scranton, R Acebo, Y Bahcall, NA Bartelmann, M Bohriner, H Ellman, N Grebel, EK Infante, L Loveday, J McKay, TA Prada, F Schneider, DP Stoughton, C Szalay, AS Vogeley, MS Voges, W Yanny, B TI A catalog of compact groups of galaxies in the SDSS commissioning data SO ASTRONOMICAL JOURNAL LA English DT Article DE atlases; catalogs; surveys ID DIGITAL SKY SURVEY; X-RAY-EMISSION; SPECTROSCOPIC TARGET SELECTION; REDSHIFT SURVEY; LUMINOSITY FUNCTION; PHOTOMETRIC SYSTEM; ROSAT OBSERVATIONS; STEPHAN-QUINTET; DATA RELEASE; SAMPLE AB Compact groups (CGs) of galaxies - relatively poor groups of galaxies in which the typical separations between members is of the order of a galaxy diameter - offer an exceptional laboratory for the study of dense galactic environments with short (< 1 Gyr) dynamical timescales. We present an objectively defined catalog of CGs in 153 deg(2) of the Sloan Digital Sky Survey (SDSS) Early Data Release. To identify CGs, we applied a modified version of Hickson's criteria of 1982 aimed at finding the highest-density CGs and thus reducing the number of chance alignments. Our catalog contains 175 CGs down to a limiting galaxy magnitude of r* = 21. The resulting catalog has a median depth of z(med) &AP; 0.13, substantially deeper than previous CG catalogs. Since the SDSS will eventually image up to one-quarter of the celestial sphere, we expect our final catalog, based on the completed SDSS, will contain on the order of 5000 - 10,000 CGs. This catalog will be useful for conducting studies of the general characteristics of CGs, their environments, and their component galaxies. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Max Planck Inst Astrophys, D-85741 Garching, Germany. Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. Yale Univ, Dept Phys, New Haven, CT 06520 USA. Max Planck Inst Astron, D-69117 Heidelberg, Germany. Pontificia Univ Catolica Chile, Fac Fis, Dept Astron & Astrofis, Santiago 22, Chile. Univ Sussex, Ctr Astron, Brighton BN1 9QJ, E Sussex, England. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. RP Lee, BC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI McKay, Timothy/C-1501-2009; Bartelmann, Matthias/A-5336-2014; OI McKay, Timothy/0000-0001-9036-6150; /0000-0002-1891-3794; Tucker, Douglas/0000-0001-7211-5729 NR 74 TC 66 Z9 68 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2004 VL 127 IS 4 BP 1811 EP 1859 DI 10.1086/382236 PG 49 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WI UT WOS:000220801600002 ER PT J AU Allam, SS Tucker, DL Smith, JA Lee, BC Annis, J Lin, H Karachentsev, ID Laubscher, BE AF Allam, SS Tucker, DL Smith, JA Lee, BC Annis, J Lin, H Karachentsev, ID Laubscher, BE TI Merging galaxies in the Sloan Digital Sky Survey Early Data Release SO ASTRONOMICAL JOURNAL LA English DT Article DE atlases; catalogs; galaxies : interactions; surveys ID SPECTROSCOPIC TARGET SELECTION; SDSS IMAGING PIPELINES; ISOLATED PAIRS; CLOSE PAIRS; INFRARED-EMISSION; UBV OBSERVATIONS; BINARY GALAXIES; REDSHIFT SURVEY; FIELD GALAXIES; STAR-FORMATION AB We present a new catalog of merging galaxies obtained through an automated systematic search routine. The 1479 new pairs of merging galaxies were found in approximate to 462 square degrees of the Sloan Digital Sky Survey Early Data Release (SDSS EDR) photometric data, and the pair catalog is complete for galaxies in the magnitude range 16.0 less than or equal to g* less than or equal to 20. The selection algorithm, implementing a variation on the original Karachentsev criteria, proved to be very efficient and fast. Merging galaxies were selected such that the intergalaxy separations were less than the sum of the component galaxies' radii. We discuss the characteristics of the sample in terms of completeness, pair separation, and the Holmberg effect. We also present an on-line atlas of images for the SDSS EDR pairs obtained using the corrected frames from the SDSS EDR database. The atlas images also include the relevant data for each pair member. This catalog will be useful for conducting studies of the general characteristics of merging galaxies, their environments, and their component galaxies. The redshifts for a subset of the interacting and merging galaxies and the distribution of angular sizes for these systems indicate the SDSS provides a much deeper sample than almost any other wide-area catalog to date. C1 New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Russian Acad Sci, Special Astrophys Observ, Nizhnii Arkhyz 369167, Karachai Circes, Russia. RP New Mexico State Univ, Dept Astron, 1320 Frenger Mall, Las Cruces, NM 88003 USA. OI Smith, J. Allyn/0000-0002-6261-4601; Tucker, Douglas/0000-0001-7211-5729 NR 67 TC 31 Z9 32 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD APR PY 2004 VL 127 IS 4 BP 1883 EP 1899 DI 10.1086/381954 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WI UT WOS:000220801600004 ER PT J AU Rider, CJ Tucker, DL Smith, JA Stoughton, C Allam, SS Neilsen, EH AF Rider, CJ Tucker, DL Smith, JA Stoughton, C Allam, SS Neilsen, EH TI A survey of open clusters in the u ' g ' r ' i ' z ' filter system. I. Results for NGC 2548 (M48) SO ASTRONOMICAL JOURNAL LA English DT Article DE Hertzsprung-Russell diagram; open clusters and associations : individual (NGC 2548); stars : abundances ID DIGITAL SKY SURVEY; PROPER MOTIONS; GALACTIC CLUSTERS; STANDARD STARS; DATA RELEASE; MELOTTE-66; PHOTOMETRY; WASHINGTON; ISOCHRONES; CATALOG AB We present initial results of a photometric survey of open star clusters, primarily in the southern hemisphere, taken in the u'g'r'i'z' filter system. While our entire observed sample covers more than 100 clusters, here we present data for NGC 2548 (M48), which is a cluster characterized in the UBV and DDO photometric systems. We compare our results to the published values from other observers and to the Padova theoretical isochrones and metallicity curves. These observations demonstrate that the u'g'r'i'z' filters can play an important role in determining the metallicity of stars and clusters. We begin this series of papers with a study of NGC 2548 because we have obtained data on this cluster not only with our main program telescope, the CTIO Curtis Schmidt, but also with the US Naval Observatory (USNO) 1.0 m telescope ( the telescope used to define the u'g'r'i'z' system), and with the Sloan Digital Sky Survey (SDSS) 0.5 m Photometric Telescope ( the photometric monitoring telescope used to calibrate the SDSS 2.5 m telescope imaging data). We have used the data from this study to validate our ability to transform measurements obtained on other telescopes to the standard USNO 1.0 m u'g'r'i'z' system. This validation is particularly important for very red stars, for which the original u'g'r'i'z' standard star network is poorly constrained. C1 Boston Univ, Dept Astron, Boston, MA 02215 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. RP Rider, CJ (reprint author), Johns Hopkins Univ, Dept Phys & Astron, 3400 N Charles St, Baltimore, MD 21218 USA. OI Smith, J. Allyn/0000-0002-6261-4601; Tucker, Douglas/0000-0001-7211-5729 NR 34 TC 21 Z9 21 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2004 VL 127 IS 4 BP 2210 EP 2227 DI 10.1086/382238 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WI UT WOS:000220801600023 ER PT J AU Wozniak, PR Vestrand, WT Akerlof, CW Balsano, R Bloch, J Casperson, D Fletcher, S Gisler, G Kehoe, R Kinemuchi, K Lee, BC Marshall, S McGowan, KE McKay, TA Rykoff, ES Smith, DA Szymanski, J Wren, J AF Wozniak, PR Vestrand, WT Akerlof, CW Balsano, R Bloch, J Casperson, D Fletcher, S Gisler, G Kehoe, R Kinemuchi, K Lee, BC Marshall, S McGowan, KE McKay, TA Rykoff, ES Smith, DA Szymanski, J Wren, J TI Northern Sky Variability Survey: Public data release SO ASTRONOMICAL JOURNAL LA English DT Article DE astronomical data bases : miscellaneous; catalogs; stars : general; stars : variables : other; surveys ID ALL-SKY; VARIABLE-STARS; AUTOMATED SURVEY; CATALOG; MISSION; TIME AB The Northern Sky Variability Survey (NSVS) is a temporal record of the sky over the optical magnitude range from 8 to 15.5. It was conducted in the course of the first-generation Robotic Optical Transient Search Experiment (ROTSE-I) using a robotic system of four comounted unfiltered telephoto lenses equipped with CCD cameras. The survey was conducted from Los Alamos, New Mexico, and primarily covers the entire northern sky. Some data in southern fields between declinations 0degrees and -38degrees are also available, although with fewer epochs and noticeably lesser quality. The NSVS contains light curves for approximately 14 million objects. With a 1 yr baseline and typically 100 - 500 measurements per object, the NSVS is the most extensive record of stellar variability across the bright sky available today. In a median field, bright unsaturated stars attain a point-to-point photometric scatter of similar to0.02 mag and position errors within 2". At Galactic latitudes \b\ < 20 degrees, the data quality is limited by severe blending due to the similar to 14 '' pixel size. We present basic characteristics of the data set and describe data collection, analysis, and distribution. All NSVS photometric measurements are available for on-line public access from the Sky Database for Objects in Time-Domain ((SkyDOT)) at Los Alamos National Laboratory. Copies of the full survey photometry may also be requested on tape. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Los Alamos Natl Lab, MS D436, Los Alamos, NM 87545 USA. EM wozniak@lanl.gov RI McKay, Timothy/C-1501-2009 OI McKay, Timothy/0000-0001-9036-6150 NR 35 TC 260 Z9 264 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD APR PY 2004 VL 127 IS 4 BP 2436 EP 2449 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811WI UT WOS:000220801600044 ER PT J AU Doroshkevich, A Tucker, DL Allam, S Way, MJ AF Doroshkevich, A Tucker, DL Allam, S Way, MJ TI Large scale structure in the SDSS galaxy survey SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE cosmology : large-scale structure of the Universe; surveys ID DIGITAL SKY SURVEY; CAMPANAS REDSHIFT SURVEY; SPECTROSCOPIC TARGET SELECTION; EARLY DATA RELEASE; LY-ALPHA FOREST; POWER SPECTRUM; STATISTICAL CHARACTERISTICS; LOOSE GROUPS; UNIVERSE; EVOLUTION AB The Large Scale Structure in the galaxy distribution is investigated using Data Release I of the Sloan Digital Sky Survey. Using the Minimal Spanning Tree technique we have extracted sets of filaments, of wall-like structures, of galaxy groups. and of rich clusters from this unique sample. The physical properties of these structures were then measured and compared with the statistical expectations based on Zel'dovich theory. The measured characteristics of galaxy walls were found to be consistent with those for a spatially flat ACDM cosmological model with Omega(m) approximate to 0.3 and Omega(A) approximate to 0.7, and for Gaussian initial perturbations with a Harrison-Zel'dovich power spectrum. Furthermore, we found that the mass functions of groups and of unrelaxed structure elements generally fit well with the expectations from Zel'dovich theory. We also note that both groups and rich clusters tend to prefer the environments of walls, which tend to be of hi-her density, rather than the environments of filaments, which tend to be of lower density. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Theoret Astrophys Ctr, DK-2100 Copenhagen O, Denmark. Russian Acad Sci, MV Keldysh Appl Math Inst, Moscow 125047, Russia. New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. NASA, Ames Res Ctr, Div Space Sci, Moffett Field, CA 94035 USA. RP Tucker, DL (reprint author), Fermilab Natl Accelerator Lab, MS 127,POB 500, Batavia, IL 60510 USA. EM dtucker@fnal.gov RI Way, Michael/D-5254-2012; Doroshkevich, Andrey/C-3389-2014; OI Way, Michael/0000-0003-3728-0475; Tucker, Douglas/0000-0001-7211-5729 NR 45 TC 46 Z9 47 U1 0 U2 1 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2004 VL 418 IS 1 BP 7 EP 23 DI 10.1051/0004-6361:20031780 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 819FH UT WOS:000221299500008 ER PT J AU Hauschildt, PH Baron, E AF Hauschildt, PH Baron, E TI Improved discretization of the wavelength derivative term in CMF operator splitting numerical radiative transfer SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE radiative transfer; methods : numerical ID PERTURBATION; EQUATION AB We describe two separate wavelength discretization schemes that can be used in the numerical solution of the comoving frame radiative transfer equation. We present an improved second order discretization scheme and show that it leads to significantly less numerical diffusion than the previous scheme. We also show that due to the nature of the second order term in some extreme cases it can become numerically unstable. We stabilize the scheme by introducing a mixed discretization scheme and present the results from several test calculations. C1 Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA. Hamburger Sternwarte, D-21029 Hamburg, Germany. Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, NERSC, Berkeley, CA 94720 USA. Univ Paris 07, CNRS, IN2P3, Lab Phys Nucl & Haute Energies, F-75005 Paris, France. RP Baron, E (reprint author), Univ Oklahoma, Dept Phys & Astron, 440 W Brooks,Rm 131, Norman, OK 73019 USA. EM yeti@hs.uni-hamburg.de; baron@nhn.ou.edu RI Baron, Edward/A-9041-2009 OI Baron, Edward/0000-0001-5393-1608 NR 9 TC 23 Z9 23 U1 0 U2 0 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2004 VL 417 IS 1 BP 317 EP 324 DI 10.1051/0004-6361:20034473 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 814LL UT WOS:000220976100034 ER PT J AU Schmidt, M Beiersdorfer, P Chen, H Thorn, DB Trabert, E Behar, E AF Schmidt, M Beiersdorfer, P Chen, H Thorn, DB Trabert, E Behar, E TI Laboratory wavelengths of K-shell resonance lines of OV and OVI SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic data; galaxies : active; galaxies : Seyfert; methods : laboratory ID REFLECTION GRATING SPECTROMETER; DIELECTRONIC SATELLITE SPECTRA; XMM-NEWTON; HE-LIKE; SPECTROSCOPY; IONS; CONFIGURATIONS; ULTRAVIOLET; NGC-3783; NGC-5548 AB We present wavelength measurements of K-shell resonance lines of O v and O VI using the University of California Lawrence Livermore National Laboratory EBIT-I electron beam ion trap. The wavelength accuracy of better than 140 parts per million is sufficient to determine gas outflow velocities of warm absorbers associated with active galactic nuclei to within 40 km s(-1) and better. Our measurements confirm that the outflow velocities associated with NGC 5548 and derived from the O v and O vi lines are similar to those derived from the O VII lines. These kinematic measurements make for further evidence that the X-ray and UV absorbers in these systems are truly two manifestations of the same physical outflow. C1 Lawrence Livermore Natl Lab, High Temp & Astrophys Div, Livermore, CA 94550 USA. Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. Tech Univ Dresden, D-8027 Dresden, Germany. Ruhr Univ Bochum, D-4630 Bochum, Germany. RP Schmidt, M (reprint author), Lawrence Livermore Natl Lab, High Temp & Astrophys Div, Livermore, CA 94550 USA. EM beiersdorfer1@llnl.gov NR 24 TC 32 Z9 32 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2004 VL 604 IS 2 BP 562 EP 564 DI 10.1086/381961 PN 1 PG 3 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 807SX UT WOS:000220522300009 ER PT J AU Rockefeller, G Fryer, CL Melia, F Warren, MS AF Rockefeller, G Fryer, CL Melia, F Warren, MS TI Diffuse X-rays from the inner 3 parsecs of the Galaxy SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; black hole physics; Galaxy : center; hydrodynamics; radiation mechanisms : thermal; stars : winds, outflows ID APERTURE SYNTHESIS OBSERVATIONS; SAGITTARIUS-A-ASTERISK; GALACTIC-CENTER; NEUTRAL DISK; BLACK-HOLE; EMISSION; CLUSTER; GAS; CHANDRA; HELIUM AB Recent observations with the Chandra X-Ray Observatory have provided us with the capability to discriminate point sources, such as the supermassive black hole Sgr A*, from the diffuse emission within the inner 1000 of the Galaxy. The hot plasma producing the diffuse X-radiation, estimated at approximate to7.6 x 10(31) ergs s(-1) arcsec(-2) in the 2 - 10 keV band, has an rms electron density approximate to 26 cm(-3) and a temperature kT approximate to 1.3 keV, with a total inferred mass of approximate to 0.1 M-.. At least some of this gas must be injected into the interstellar medium via stellar winds. In the most recent census, about 25 bright, young stars have been identified as the dominant sources of the overall mass efflux from the Galactic center. In this paper we use detailed three-dimensional smoothed particle hydrodynamics (SPH) simulations to study the wind-wind interactions occurring in the inner 3 pc of the Galaxy, with a goal of understanding what fraction, if any, of the diffuse X-ray flux measured by Chandra results from the ensuing shock heating of the ambient medium. We conclude that this process alone can account for the entire X-ray flux observed by Chandra in the inner 10" of the Galaxy. Understanding the X-ray morphology of the environment surrounding Sgr A* will ultimately provide us with a greater precision in modeling the accretion of gas onto this object, which appears to be relatively underluminous compared to its brethren in the nuclei of other galaxies. C1 Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RP Rockefeller, G (reprint author), Univ Arizona, Dept Phys, 933 N Cherry Ave, Tucson, AZ 85721 USA. RI Rockefeller, Gabriel/G-2920-2010; OI Rockefeller, Gabriel/0000-0002-9029-5097; Warren, Michael/0000-0002-1218-7904 NR 25 TC 46 Z9 46 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2004 VL 604 IS 2 BP 662 EP 670 DI 10.1086/381933 PN 1 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 807SX UT WOS:000220522300018 ER PT J AU Qiu, J Wang, HM Cheng, CZ Gary, DE AF Qiu, J Wang, HM Cheng, CZ Gary, DE TI Magnetic reconnection and mass acceleration in flare-coronal mass ejection events SO ASTROPHYSICAL JOURNAL LA English DT Article DE Sun : activity; Sun : coronal mass ejections (CMEs); Sun : flares; Sun : magnetic fields ID ERUPTIVE FLARES; SOLAR-FLARES; MODEL; FIELD; EVOLUTION; EMISSION AB An observational relationship has been well established among magnetic reconnection, high-energy flare emissions and the rising motion of erupting flux ropes. In this paper, we verify that the rate of magnetic reconnection in the low corona is temporally correlated with the evolution of flare nonthermal emissions in hard X-rays and microwaves, all reaching their peak values during the rising phase of the soft X-ray emission. In addition, however, our new observations reveal a temporal correlation between the magnetic reconnection rate and the directly observed acceleration of the accompanying coronal mass ejection (CME) and filament in the low corona, thus establishing a correlation with the rising flux rope. These results are obtained by examining two well-observed two-ribbon flare events, for which we have good measurements of the rise motion of filament eruption and CMEs associated with the flares. By measuring the magnetic flux swept through by flare ribbons as they separate in the lower atmosphere, we infer the magnetic reconnection rate in terms of the reconnection electric field E-rec inside the reconnecting current sheet (RCS) and the rate of magnetic flux convected into the diffusion region. For the X1.6 flare event, the inferred E-rec is similar to5.8 V cm(-1) and the peak mass acceleration is similar to3 km s(-2), while for the M1.0 flare event E-rec is similar to0.5 V cm(-1) and the peak mass acceleration is 0.2-0.4 km s(-2). C1 New Jersey Inst Technol, Dept Phys, Ctr Solar Res, Newark, NJ 07102 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Qiu, J (reprint author), New Jersey Inst Technol, Dept Phys, Ctr Solar Res, 323 Martin Luther King Blvd, Newark, NJ 07102 USA. EM qiuj@plage.njit.edu RI Cheng, Chio/K-1005-2014; OI Gary, Dale/0000-0003-2520-8396 NR 28 TC 100 Z9 103 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2004 VL 604 IS 2 BP 900 EP 905 DI 10.1086/382122 PN 1 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 807SX UT WOS:000220522300041 ER PT J AU Kronberg, PP Colgate, SA Li, H Dufton, QW AF Kronberg, PP Colgate, SA Li, H Dufton, QW TI Giant radio galaxies and cosmic-ray acceleration SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; intergalactic medium; magnetic fields; plasmas; radio continuum : galaxies ID MULTIFREQUENCY OBSERVATIONS; MAGNETIC RECONNECTION; PARTICLE-ACCELERATION; ACCRETION DISKS; BLACK-HOLES; ENERGY; PLASMA; EXTRACTION; FIELD; JETS AB Giant radio galaxies (GRGs) are prime and unique laboratories for constraining the plasma processes that accelerate relativistic electrons within large intergalactic volumes. The evidence for short radiative loss times rules out certain scenarios for energy transport within their very large dimensions. This, combined with their high energy content, large ordered magnetic field structures, the absence of strong large-scale shocks, and very low upper limits on their internal thermal plasma densities, points to a direct and efficient conversion of force-free magnetic field to particle energy. This is underlined by the evidence in GRGs that their internal Alfven speeds are higher than the lobe expansion speeds. We discuss these constraints in the context of models in which the central black hole energy is initially extracted as electromagnetic Poynting flux that injects large amounts of magnetic flux into the lobes. Recent advances in the theory of collisionless magnetic reconnection make this a favored mechanism to explain the particle acceleration in these systems. The energy reservoir is likely to be force-free fields, which is independently consistent with recent models of initial electromagnetic energy transfer from the parent galaxy's supermassive black hole. Such a scenario has wide-ranging astrophysical consequences: it implies that space-distributed magnetic reconnection or some other highly efficient field-to-particle energy conversion process likely dominates in all extended extragalactic radio sources. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kronberg, PP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kronberg@lanl.gov; colgate@lanl.gov; hli@lanl.gov; dufton@lanl.gov NR 31 TC 27 Z9 27 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2004 VL 604 IS 2 BP L77 EP L80 DI 10.1086/383614 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 807SY UT WOS:000220522400002 ER PT J AU Kronenberg, A Stoyer, M AF Kronenberg, A Stoyer, M TI Nuclear chemistry and radiochemistry in the United States of America SO ATW-INTERNATIONAL JOURNAL FOR NUCLEAR POWER LA German DT Article AB Nuclear chemistry and radiochemistry are very young sciences which developed at an extremely brisk pace within a very short period of time after the discovery of nuclear fission in 1938, and caused profound societal changes. In the United States. nuclear chemistry developed very differently from Germany, where nuclear research initially had been banned after the Second World War. The prime mover in the development In the United States was the Manhattan Project, the construction of the atomic bomb. To counteract the impending shortage of qualified personnel, important institutions have begun to establish training and support programs in the field. The National Laboratories in the United States introduced a National Security Internship Program. while the US. DePartment of Energy (DOE) tries to promote cooperation, and thus the training of personnel, by launching programs of its own. Yet, a greater shortage of qualified personnel is becoming apparent. The situation of nuclear chemistry and radiochemistry in the United States can be summarized in the finding that research at the National Laboratories is very wide ranging. It receives sufficient funds from the DOE. However, the National Laboratories show a very high proportion of elderly personnel, a problem which will have to be corrected in the years to come. This may be helped by the Summer Schools financed by the DOE, though a summer school of six weeks cannot replace a sound training in nuclear chemistry of the kind still to be found in Germany. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kronenberg, A (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663,Mailstop J514, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU VERLAGSGRP HANDELSBLATT GMBH PI DUSSELDORF PA POSTFACH 10 11 02, D-40002 DUSSELDORF, GERMANY SN 1431-5254 J9 ATW-INT J NUCL POWER JI ATW-Int. J. Nucl. Power PD APR PY 2004 VL 49 IS 4 BP 262 EP + PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 825HD UT WOS:000221746000005 ER PT J AU Ratto, TV Langry, KC Rudd, RE Balhorn, RL Allen, MJ McElfresh, MW AF Ratto, TV Langry, KC Rudd, RE Balhorn, RL Allen, MJ McElfresh, MW TI Force spectroscopy of the double-tethered concanavalin-A mannose bond SO BIOPHYSICAL JOURNAL LA English DT Article ID SURFACE-PLASMON RESONANCE; MOLECULAR-INTERACTIONS; CELL-ADHESION; MICROSCOPY; RECOGNITION; AFFINITY; BINDING; LENGTH AB We present the measurement of the force required to rupture a single protein-sugar bond using a methodology that provides selective discrimination between specific and nonspecific binding events and helps verify the presence of a single functional molecule on the atomic force microscopy tip. In particular, the interaction force between a polymer-tethered concanavalin-A protein (ConA) and a similarly tethered mannose carbohydrate was measured as 47 +/- 9 pN at a bond loading rate of similar to10 nN/s. Computer simulations of the polymer molecular configurations were used to determine the angles that the polymers could sweep out during binding and, in conjunction with mass spectrometry, used to separate the angular effects from the effects due to a distribution of tether lengths. We find that when using commercially available polymer tethers that vary in length from 19 to 29 nm, the angular effects are relatively small and the rupture distributions are dominated by the 10-nm width of the tether length distribution. In all, we show that tethering both a protein and its ligand allows for the determination of the single-molecule bond rupture force with high sensitivity and includes some validation for the presence of a single-tethered functional molecule on the atomic force microscopy tip. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. Biometrol Inc, Alameda, CA 94501 USA. RP Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, POB 5508, Livermore, CA 94550 USA. EM ratto7@llnl.gov NR 33 TC 91 Z9 91 U1 1 U2 16 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD APR PY 2004 VL 86 IS 4 BP 2430 EP 2437 PG 8 WC Biophysics SC Biophysics GA 808KI UT WOS:000220567600046 PM 15041680 ER PT J AU Edenborn, HM AF Edenborn, HM TI Use of poly(lactic acid) amendments to promote the bacterial fixation of metals in zinc smelter tailings SO BIORESOURCE TECHNOLOGY LA English DT Article DE bacterial sulfate reduction; metal sulfides; bioremediation ID SULFATE REDUCTION; TRACE-METALS; MINE WATER; SEDIMENT; SOILS; BIOAVAILABILITY; PREDICTIONS; TOXICITY; SULFIDES; REMOVAL AB The ability of poly(lactic acid) (PLA) to serve as a long-term source of lactic acid for bacterial sulfate reduction activity in zinc smelter tailings was investigated. Solid PLA polymers mixed in water hydrolyzed abiotically to release lactic acid into solution over an extended period of time. The addition of both PLA and gypsum was required for indigenous bacteria to lower redox potential, raise pH, and stimulate sulfate reduction activity in highly oxidized smelter tailings after one year of treatment. Bioavailable cadmium, copper, lead and zinc were all lowered significantly in PLA/gypsum treated soil, but PLA amendments alone increased the bioavailability of lead, nickel and zinc. Similar PLA amendments may be useful in constructed wetlands and reactive barrier walls for the passive treatment of mine drainage, where enhanced rates of bacterial sulfate reduction are desirable. Published by Elsevier Ltd. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Edenborn, HM (reprint author), US DOE, Natl Energy Technol Lab, MS 83-226,POB 10940, Pittsburgh, PA 15236 USA. EM edenborn@netl.doe.gov NR 38 TC 10 Z9 10 U1 1 U2 10 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD APR PY 2004 VL 92 IS 2 BP 111 EP 119 DI 10.1016/j.biortech.2003.09.004 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 801VG UT WOS:000220122800001 PM 14693443 ER PT J AU Tiquia, SM Wu, LY Chong, SC Passovets, S Xu, D Xu, Y Zhou, JZ AF Tiquia, SM Wu, LY Chong, SC Passovets, S Xu, D Xu, Y Zhou, JZ TI Evaluation of 50-mer oligonucleotide arrays for detecting microbial populations in environmental samples SO BIOTECHNIQUES LA English DT Article ID DNA MICROARRAYS; MOLECULAR DIVERSITY; EXPRESSION; GENES; VALIDATION AB Microarrays fabricated with oligonucleotides longer than 40 bp have been introduced for monitoring whole genome expression but have not been evaluated with environmental samples. To determine the potential of this type of microarray for environmental studies, a 50-mer oligonucleotide microarray was constructed using 763 genes involved in nitrogen cycling: nitrite reductase (nirS and nirK), ammonia monooxygenase (amoA), nitrogenase (nifH), methane monooxygenase (pmoA), and sulfite reductase (dsrAB) from public databases and our own sequence collections. The comparison of the sequences from pure cultures indicated that the developed microarrays could provide species-level resolution for analyzing microorganisms involved in nitrification, denitrification, nitrogen fixation, methane oxidation, and sulfite reduction. Sensitivity tests suggested that the 50-mer oligonucleotide arrays could detect dominant populations in the environments, although sensitivity still needs to be improved. A significant quantitative relationship was also obtained with a mixture of DNAs from eight different bacteria. These results suggest that the 50-mer oligonucleotide array can be used as a specific and quantitative parallel tool for the detection of microbial populations in environmental samples. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Zhou, JZ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM zhouj@ornl.gov NR 23 TC 120 Z9 130 U1 1 U2 6 PU EATON PUBLISHING CO PI NATICK PA 154 E. CENTRAL ST, NATICK, MA 01760 USA SN 0736-6205 J9 BIOTECHNIQUES JI Biotechniques PD APR PY 2004 VL 36 IS 4 BP 664 EP + PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 811VC UT WOS:000220798400015 PM 15088384 ER PT J AU Kszos, LA Braden, P AF Kszos, LA Braden, P TI Novel temperature control apparatus for whole effluent toxicity tests SO BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY LA English DT Article C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Kszos, LA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. OI Kszos, Lynn/0000-0002-8218-9032 NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0007-4861 J9 B ENVIRON CONTAM TOX JI Bull. Environ. Contam. Toxicol. PD APR PY 2004 VL 72 IS 4 BP 692 EP 696 DI 10.1007/s00464-004-0300-1 PG 5 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 809WG UT WOS:000220666200006 PM 15199981 ER PT J AU Dabberdt, WF Carroll, MA Baumgardner, D Carmichael, G Cohen, R Dye, T Ellis, J Grell, G Grimmond, S Hanna, S Irwin, J Lamb, B Madronich, S McQueen, J Meagher, J Odman, T Pleim, J Schmid, HP Westphal, DL AF Dabberdt, WF Carroll, MA Baumgardner, D Carmichael, G Cohen, R Dye, T Ellis, J Grell, G Grimmond, S Hanna, S Irwin, J Lamb, B Madronich, S McQueen, J Meagher, J Odman, T Pleim, J Schmid, HP Westphal, DL TI Meteorological research needs for improved air quality forecasting - Report of the 11th prospectus development team of the US Weather Research Program SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Review ID ADAPTIVE-GRID ALGORITHM; SURFACE-HYDROLOGY MODEL; BOUNDARY-LAYER; URBAN AREAS; HETEROGENEOUS TERRAIN; REGIONAL-SCALE; ATMOSPHERIC MODELS; TROPOSPHERIC OZONE; INITIAL CONDITIONS; NITROGEN-FIXATION AB The U.S. Weather Research Program convenes expert working groups on a one-time basis to identify critical research needs in various problem areas. The most recent expert working group was charged to "identify and delineate critical meteorological research issues related to the prediction of air quality." In this context, "prediction" is denoted as "forecasting" and includes the depiction and communication of the present chemical state of the atmosphere, extrapolation or nowcasting, and numerical prediction and chemical evolution on time scales up to several days. Emphasis is on the meteorological aspects of air quality. The problem of air quality forecasting is different in many ways from the problem of weather forecasting. The latter typically is focused on prediction of severe, adverse weather conditions, while the meteorology of adverse air quality conditions frequently is associated with benign weather. Boundary layer structure and wind direction are perhaps the two most poorly determined meteorological variables for regional air quality prediction. Meteorological observations are critical to effective air quality prediction, yet meteorological observing systems are designed to support prediction of severe weather, not the subtleties of adverse air quality. Three-dimensional meteorological and chemical observations and advanced data assimilation schemes are essential. In the same way, it is important to develop high-resolution and self-consistent databases for air quality modeling; these databases should include land use, vegetation, terrain elevation, and building morphology information, among others. New work in the area of chemically adaptive grids offers significant promise and should be pursued. The quantification and effective communication of forecast uncertainty are still in their early stages and are very important for decision makers; this also includes the visualization of air quality and meteorological observations and forecasts. Research is also needed to develop effective metrics for the evaluation and verification of air quality forecasts so that users can understand the strengths and weaknesses of various modeling schemes. Last, but not of least importance, is the need to consider the societal impacts of air quality forecasts and the needs that they impose on researchers to develop effective and useful products. C1 Vaisala, POB 3659, Boulder, CO 80307 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. Univ Iowa, Iowa City, IA USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Sonoma Technol Inc, Petaluma, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NOAA, Boulder, CO USA. Indiana Univ, Bloomington, IN USA. Harvard Univ, Sch Publ Hlth, Boston, MA 02115 USA. NOAA, Res Triangle Pk, NC USA. Washington State Univ, Pullman, WA 99164 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. NOAA, Silver Spring, MD USA. Georgia Inst Technol, Atlanta, GA 30332 USA. Naval Res Lab, Monterey, CA USA. RP Vaisala, POB 3659, Boulder, CO 80307 USA. EM walter.dabberdt@vaisala.com RI Cohen, Ronald/A-8842-2011; Grimmond, Sue/A-2179-2009; Schmid, Hans Peter/I-1224-2012; Odman, Mehmet/L-6218-2013; grell, georg/B-6234-2015; Madronich, Sasha/D-3284-2015; Pleim, Jonathan Pleim/C-1331-2017 OI Cohen, Ronald/0000-0001-6617-7691; Grimmond, Sue/0000-0002-3166-9415; Schmid, Hans Peter/0000-0001-9076-4466; Odman, Mehmet/0000-0002-3947-7047; grell, georg/0000-0001-5214-8742; Madronich, Sasha/0000-0003-0983-1313; Pleim, Jonathan Pleim/0000-0001-6190-6082 NR 149 TC 59 Z9 59 U1 0 U2 13 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD APR PY 2004 VL 85 IS 4 BP 563 EP 586 DI 10.1175/BAMS-85-4-563 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 817FA UT WOS:000221162200027 ER PT J AU Wyss, M Sammis, CG Nadeau, RM Wiemer, S AF Wyss, M Sammis, CG Nadeau, RM Wiemer, S TI Fractal dimension and b-value on creeping and locked patches of the San Andreas fault near Parkfield, California SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID FREQUENCY-MAGNITUDE DISTRIBUTION; LONG VALLEY CALDERA; REPEATING EARTHQUAKES; RECURRENCE; MICROEARTHQUAKES; TIME; DEFORMATION; SEISMICITY; PARAMETERS; GEOMETRY AB We tested the hypotheses (1) that the fractal dimension, D, of hypo-centers are different in a locked and a creeping segment of the San Andreas fault and (2) that the relationship D approximate to 2b holds approximately, where b is the slope of the frequency-magnitude relationship. The test area was the 30- to 50-km fault segment north of Parkfield for which two earthquake catalogs exist: the borehole High Resolution Seismic Network data, and the U.S. Geological Survey data, which have a minimum magnitude of completeness of M-C 0.4 and M-C 1.0-1.2, respectively. The relative location errors in the two catalogs are estimated as 0.25 km and less than I km, respectively. The periods of high-quality data available extend from 1987 to 1998.5 and 1981 to 2000.2, respectively, furnishing 2609 and 3775 events for analysis, in the two catalogs. In the locked part, 0.5 < b < 0.7 and 0.96 < D < 1.14, whereas in the creeping segment, 1.1 < b < 1.6 and 1.45 < D < 1.72. However, the spatial distribution of the hypocenters in the creeping segment is not well approximated by a fractal distribution. We conclude (1) that the frequency-magnitude distribution as described by b, as well as the fractal dimension (D), are different in the locked and creeping segments near Parkfield; (2) that the spatial distribution in the creeping segment is not well approximated by a fractal distribution; and (3) that the relationship D approximate to 2b holds in the locked segment, where both parameters can be measured accurately. Thus, we propose that the heterogeneity of seismogenic volumes lead to differences in D and b and that these differences, where established by high-quality data, may furnish clues concerning properties of fault zones. C1 World Agcy Planetary Monitoring, CH-1208 Geneva, Switzerland. Univ So Calif, Los Angeles, CA 90007 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Seismol Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Seismol, Berkeley, CA 94720 USA. ETH Honggerberg, Inst Geophys, CH-8093 Zurich, Switzerland. RP World Agcy Planetary Monitoring, Route Malagnou 36A, CH-1208 Geneva, Switzerland. EM wapmerr@maxwyss.com; saininis@usc.edu; nadeau@seismo.berkeley.edu; stefan@seismo.ifg.ethz.ch RI Wiemer, Stefan/E-5033-2015 NR 59 TC 70 Z9 79 U1 3 U2 13 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD APR PY 2004 VL 94 IS 2 BP 410 EP 421 DI 10.1785/0120030054 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 817TX UT WOS:000221200900004 ER PT J AU Leidig, MR Reiter, DT Bonner, JL Rodgers, AJ AF Leidig, MR Reiter, DT Bonner, JL Rodgers, AJ TI Applicability of 3D modeling techniques in creating single-station locations: A test case in southern Asia SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID TRAVELTIMES; VELOCITY AB Conventional multistation location estimation is not possible for small earthquakes and explosions recorded at only a single seismic station. We present a novel method of estimating epicentral distance. by integrating observed travel times (Lg-Pn and Sn-Pn) measured on three-component (3C) single-station data with theoretical travel times for the same phase combinations determined from 3D velocity models. Theoretical travel times for the body-wave phases are estimated using ray-tracing through a 3D P- and S-wave velocity model, while the travel times for Lg are estimated either using raytracing techniques or with a constant velocity determined from synthetics. Backazimuths are determined by applying polarization techniques on 3C data. The backazimuth and distance are then used to determine the epicenter for the event. The results of applying this 3D single-station location methodology to well-located events in southern Asia show mislocation errors that are typically less than 6% of the total propagation path distance. C1 Weston Geophys Corp, Houston, TX 77027 USA. Weston Geophys Corp, Lexington, MA 02420 USA. Weston Geophys Corp, Lufkin, TX 75901 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Leidig, MR (reprint author), Weston Geophys Corp, 3919 Essex Ln 232, Houston, TX 77027 USA. EM mleidig@westongeophysical.com; delaine@westongeophysical.com; bonner@westongeophysical.com; rodgers7@llnl.gov RI Rodgers, Arthur/E-2443-2011 NR 19 TC 0 Z9 1 U1 0 U2 0 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD APR PY 2004 VL 94 IS 2 BP 753 EP 759 DI 10.1785/0120030111 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 817TX UT WOS:000221200900028 ER PT J AU Podjarny, A Cachau, RE Schneider, T Van Zandt, M Joachimiak, A AF Podjarny, A Cachau, RE Schneider, T Van Zandt, M Joachimiak, A TI Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding SO CELLULAR AND MOLECULAR LIFE SCIENCES LA English DT Article DE aldose reductase inhibition; subatomic resolution crystallography ID HIGH-RESOLUTION; PROTEIN CRYSTALLOGRAPHY; CRAMBIN; MODEL AB The determination of several of aldose reductase-inhibitor complexes at subatomic resolution has revealed new structural details, including the specific interatomic contacts involved in inhibitor binding. In this article, we review the structures of the complexes of ALR2 with IDD 594 (resolution: 0.66 Angstrom, IC50 (concentration of the inhibitor that produced half-maximal effect): 30 nM, space group: P2(1)), IDD 393 (resolution: 0.90 Angstrom, IC50: 6 nM, space group: P1), fidarestat (resolution: 0.92 Angstrom, IC50: 9 nM, space group: P2(1)) and minalrestat (resolution: 1.10 Angstrom, IC50: 73 nM, space group: P1). The structures are compared and found to be highly reproductible within the same space group (root mean square (RMS) deviations: 0.15 similar to 0.3 Angstrom). The mode of binding of the carboxylate inhibitors IDD 594 and IDD 393 is analysed. The binding of the carboxylate head can be accurately determined by the subatomic resolution structures, since both the protonation states and the positions of the atoms are very precisely known. The differences appear in the binding in the specificity pocket. The high-resolution structures explain the differences in IC50, which are confirmed both experimentally by mass spectrometry measures of VC50 and theoretically by free energy perturbation calculations. The binding of the cyclic imide inhibitors fidarestat and minalrestat is also described, focusing on the observation of a Cl- ion which binds simultaneously with fidarestat. The presence of this anion, binding also to the active site residue His110, leads to a mechanism in which the inhibitor can bind in a neutral state and then become charged inside the active site pocket. This mechanism can explain the excellent in vivo properties of cyclic imide inhibitors. In summary, the complete and detailed information supplied by the subatomic resolution structures can explain the differences in binding energy of the different inhibitors. C1 IGBMC, CNRS, UMR 7104, Lab Genom & Biol Struct, F-67404 Illkirch Graffenstaden, France. NCI, Adv Biomed Comp Ctr, SAIC, Frederick, MD USA. Univ Gottingen, Dept Struct Chem, D-37077 Gottingen, Germany. Inst Diabet Discovery Inc, Branford, CT USA. Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. RP Podjarny, A (reprint author), IGBMC, CNRS, UMR 7104, Lab Genom & Biol Struct, 1 Rue Laurent Fries,BP 163, F-67404 Illkirch Graffenstaden, France. EM podjarny@titus.u-strasbg.fr RI Schneider, Thomas/B-7442-2011 OI Schneider, Thomas/0000-0001-6955-7374 FU NCI NIH HHS [N01-CO-12400] NR 26 TC 37 Z9 38 U1 0 U2 0 PU BIRKHAUSER VERLAG AG PI BASEL PA VIADUKSTRASSE 40-44, PO BOX 133, CH-4010 BASEL, SWITZERLAND SN 1420-682X J9 CELL MOL LIFE SCI JI Cell. Mol. Life Sci. PD APR PY 2004 VL 61 IS 7-8 BP 763 EP 773 DI 10.1007/s00018-003-3404-1 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 814NU UT WOS:000220982200004 PM 15095001 ER PT J AU Patrut, A Nicoara, A Margineanu, D Koop, M Kogerler, P Bogge, H Schmidtmann, M AF Patrut, A Nicoara, A Margineanu, D Koop, M Kogerler, P Bogge, H Schmidtmann, M TI Infinite octamolybdate chains cross-linked by paramagnetic iron (II) centers SO CENTRAL EUROPEAN JOURNAL OF CHEMISTRY LA English DT Article DE polyoxometalate; molybdenum oxide; metal cluster; layer structure; polymeric chains; X-ray structure; paramagnetism ID CRYSTAL; CLUSTERS AB The paper presents a new polymeric polyoxomolybdate cluster with infinite octamolybdate chains cross-linked by iron (II) centers. The layer-type substance contains sodium cations sandwiched between the [Fe(H2O)(4)Mo8O27](infinity) layers. The structure was determined by single crystal X-ray diffraction analysis. Magnetic properties, due to the presence of paramagnetic iron ( II) centers, are presented and discussed. (C) Central European Science Journals. All rights reserved. C1 Univ Babes Bolyai, Dept Chem, RO-40028 Cluj Napoca, Romania. Univ Bielefeld, Fac Chem, D-33501 Bielefeld, Germany. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Patrut, A (reprint author), Univ Babes Bolyai, Dept Chem, 11 Arany Janos, RO-40028 Cluj Napoca, Romania. EM apatrut@chem.ubbcluj.ro RI Patrut, Adrian/C-3566-2012; Margineanu, Dragos/C-5440-2012; Nicoara, Adrian/E-5958-2013; Kogerler, Paul/H-5866-2013 OI Nicoara, Adrian/0000-0002-6591-2081; Kogerler, Paul/0000-0001-7831-3953 NR 20 TC 1 Z9 1 U1 0 U2 6 PU CENTRAL EUROPEAN SCIENCE JOURNALS PI WARSAW PA 8, MARIENSZTAT ST, 00-302 WARSAW, POLAND SN 1644-3624 J9 CENT EUR J CHEM JI Cent. Eur. J. Chem PD APR PY 2004 VL 2 IS 2 BP 323 EP 333 DI 10.2478/BF02475576 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 832AB UT WOS:000222237800004 ER PT J AU Golobic, I Pavlovic, E Von Hardenberg, J Berry, M Nelson, RA Kenning, DBR Smith, LA AF Golobic, I Pavlovic, E Von Hardenberg, J Berry, M Nelson, RA Kenning, DBR Smith, LA TI Comparison of a mechanistic model for nucleate boiling with experimental spatio-temporal data SO CHEMICAL ENGINEERING RESEARCH & DESIGN LA English DT Article; Proceedings Paper CT 8th UK National Heat Transfer Conference CY SEP 09-10, 2003 CL Oxford, ENGLAND DE nucleate boiling; spatio-temporal model validation ID HEAT-TRANSFER; SITES AB Mechanistic numerical simulations have been developed for pool nucleate boiling involving large groups of nucleation sites that are non-uniformly distributed spatially and have different activation superheats. The simulations model the temperature field in the heated wall accurately and use approximations for events in the liquid-vapour space. This paper describes the first attempt to compare the numerical simulations with spatio-temporal experimental data at a similar level of detail. The experimental data were obtained during pool boiling of water at atmospheric pressure on a horizontal, electrically heated stainless steel plate 0.13 mm thick. They consist of wall temperature fields measured on the back of the plate by liquid crystal thermography at a sampling rate of 200 Hz over a period of 30 s. Methods of image analysis have been developed to deduce the time, position, nucleation superheat and size of the cooled area for every bubble nucleation event during this period. The paper discusses the methodology of using some of the experimental data as input for the simulations and the remainder for validation. Because of the high-dimensional dynamics and possibly chaotic nature of nucleate boiling, the validation must be based on statistical properties over a large area and a long period. This preliminary study is restricted to a single heat flux. C1 Univ Oxford, Dept Engn Sci, Oxford OX1 3PJ, England. Univ Ljubljana, Ljubljana, Slovenia. Univ Genoa, CIMA, Savona, Italy. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Oxford, Oxford, England. London Sch Econ, London, England. RP Kenning, DBR (reprint author), Univ Oxford, Dept Engn Sci, Parks Rd, Oxford OX1 3PJ, England. RI von Hardenberg, Jost/D-1872-2010 OI von Hardenberg, Jost/0000-0002-5312-8070 NR 14 TC 8 Z9 8 U1 2 U2 6 PU INST CHEMICAL ENGINEERS PI RUGBY PA 165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND SN 0263-8762 J9 CHEM ENG RES DES JI Chem. Eng. Res. Des. PD APR PY 2004 VL 82 IS A4 BP 435 EP 444 DI 10.1205/026387604323050146 PG 10 WC Engineering, Chemical SC Engineering GA 820YH UT WOS:000221425400004 ER PT J AU Feng, J Liu, HL Hu, Y Prausnitz, JM AF Feng, J Liu, HL Hu, Y Prausnitz, JM TI Micro-phase separation of diblock-copolymer melts confined in a slit from simulation calculations - effect of coarse-graining scale SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE coarse-graining; complex fluids; morphology; nanostructure; polymer; simulation ID MONTE-CARLO SIMULATIONS; CONSISTENT-FIELD CALCULATIONS; CELL DYNAMICAL-SYSTEMS; THIN-FILMS; HEXAGONAL PHASE; MORPHOLOGY; POLYMERS; ARRAYS AB Two methods with different levels of coarse-graining are used to simulate microphase separation in diblock copolymer melts. The first uses Monte Carlo simulation (MC) based on particles and the second uses the cell-dynamical-system method (CDS) based on fluid elements. Results are presented for symmetric and asymmetric A-B diblock-copolymer melts (f(A) = 0.5, 0.4, 0.3 and 0.2) confined in a slit. Several microdomain morphologies are obtained. A lamella structure with alternate A- and B-rich layers appears for the symmetric case. Mesh-like, bi-continuous cylinder-like and dispersed sphere-like layers appear for asymmetric block copolymers with different compositions. Both methods of calculation give similar morphologies, indicating their mutual consistency. However, the calculation efficiency of CDS is remarkably higher, and it is therefore used to provide the pattern evolutions in time, the order-parameter distribution in real space, and the dynamic scattering function in Fourier space. (C) 2004 Elsevier Ltd. All rights reserved. C1 E China Univ Sci & Technol, Dept Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Liu, HL (reprint author), E China Univ Sci & Technol, Dept Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. EM hlliu@ecust.edu.cn; yinghu@ecust.edu.cn NR 28 TC 9 Z9 13 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD APR-MAY PY 2004 VL 59 IS 8-9 BP 1701 EP 1710 DI 10.1016/j.ces.2004.01.026 PG 10 WC Engineering, Chemical SC Engineering GA 823QR UT WOS:000221628600009 ER PT J AU Boysen, H Wozny, G Guiochon, G AF Boysen, H Wozny, G Guiochon, G TI Influence of the column design on the HPLC (High performance liquid chromatography) process SO CHEMICAL ENGINEERING & TECHNOLOGY LA English DT Article ID SAMPLE INTRODUCTION; VISUALIZATION; CONSOLIDATION; BEDS C1 Tech Univ Berlin, Fachgebiet Prozess & Anlagentech, D-10623 Berlin, Germany. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Boysen, H (reprint author), Tech Univ Berlin, Fachgebiet Prozess & Anlagentech, Str 17,Juni 135, D-10623 Berlin, Germany. EM henning.boysen@tu-berlin.de NR 21 TC 2 Z9 2 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0930-7516 J9 CHEM ENG TECHNOL JI Chem. Eng. Technol. PD APR PY 2004 VL 27 IS 4 BP 369 EP 376 DI 10.1002/ceat.200403180 PG 8 WC Engineering, Chemical SC Engineering GA 813UX UT WOS:000220933100002 ER PT J AU Kay, BK Kehoe, JW AF Kay, BK Kehoe, JW TI PDZ domains and their ligands SO CHEMISTRY & BIOLOGY LA English DT Editorial Material ID HUMAN PROTEIN; BINDING; PEPTIDE C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Kay, BK (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 TC 6 Z9 7 U1 1 U2 1 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1074-5521 J9 CHEM BIOL JI Chem. Biol. PD APR PY 2004 VL 11 IS 4 BP 423 EP 425 DI 10.1016/j.chembiol.2004.04.004 PG 3 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 815GC UT WOS:000221029800004 PM 15123236 ER PT J AU Guerin, M Seaman, JC AF Guerin, M Seaman, JC TI Characterizing clay mineral suspensions using acoustic and electroacoustic spectroscopy - A review SO CLAYS AND CLAY MINERALS LA English DT Review DE acoustics; aggregation; electroacoustics; electrokinetics; particle-size distribution; PSD; zeta potential ID SPHERICAL COLLOIDAL PARTICLES; CONCENTRATED DISPERSIONS; ELECTROPHORETIC MOBILITY; ULTRASONIC-ATTENUATION; KAOLINITE PARTICLES; DYNAMIC MOBILITY; SURFACE; TRANSPORT; ALUMINA; IONS AB Recently. significant advances have been made in the theory and application of acoustic and electroacoustic spectroscopics for measuring the particle-size distribution (PSD) and zeta potential (zeta potential) of colloidal suspensions, respectively. These techniques extend or replace other techniques, such as light-scattering methods, particularly in concentrated suspensions. In this review, we summarize acoustic and electroacoustic theory and published results on clay mineral suspensions, detail theoretical constraints, and indicate potential applications for the study of environmentally significant clay mineral suspensions. Using commercially available instrumentation and suspension concentrations Lip to 45 vol.%, acoustic spectroscopy can characterize particle sizes from 10 nm to 10 mum, or greater. Electroacoustic spectroscopy can determine the zeta potential of a suspension with a precision and accuracy in the mV range. Despite the clear potential for their use in environmental settings, to date, acoustic methods have been used mainly on clay mineral colloids with industrial application, typically combined with similar measurements such as isoelectric point (IEP) determined front shear yield stress or zeta potential from electrophoretic mobility measurements. Potential applications in environmentally relevant Suspension concentrations are significant, as PSD and zeta potential are important factors influencing the transport of mineral colloids and associated contaminants through porous media. Applications include determining the effects of suspension concentration, surfactants, electrolyte strength, pH and Solution composition on soil clay properties and colloidal interactions, and determining changes in PSD, aggregation and zeta potential due to adsorption or variations in the clay mineralogy. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Seaman, JC (reprint author), Univ Georgia, Savannah River Ecol Lab, Savannah River Site, Aiken, SC 29802 USA. EM seaman@srel.edul NR 48 TC 12 Z9 13 U1 1 U2 20 PU CLAY MINERALS SOCIETY PI AURORA PA PO BOX 460130, AURORA, CO 80046-0130 USA SN 0009-8604 J9 CLAY CLAY MINER JI Clay Clay Min. PD APR PY 2004 VL 52 IS 2 BP 145 EP 157 DI 10.1346/CCMN.2004.0520201 PG 13 WC Chemistry, Physical; Geosciences, Multidisciplinary; Mineralogy; Soil Science SC Chemistry; Geology; Mineralogy; Agriculture GA 813LZ UT WOS:000220909900001 ER PT J AU Guerin, M Seaman, JC Lehmann, C Jurgenson, A AF Guerin, M Seaman, JC Lehmann, C Jurgenson, A TI Acoustic and electroacoustic characterization of variable-charge mineral suspensions SO CLAYS AND CLAY MINERALS LA English DT Article DE acoustic spectroscopy; electroacoustic spectroscopy; particle-size distribution; PSD; thermogravmetric analysis; variable-charge minerals; zeta potential ID CONCENTRATED DISPERSIONS; COLLOID MOBILIZATION; IONIC-STRENGTH; PARTICLE-SIZE; AQUIFER SAND; SPECTROSCOPY; SURFACE; KAOLINITE; TRANSPORT; IRON AB Acoustic and electroacoustic measurements of particle-size distribution (PSD) and zeta potential (zeta potential), respectively, were used to obtain in situ measures of the effects of suspension concentration and pH on interactions between mixed-charge clays and clay minerals from a highly weathered sediment. Measurements were obtained in concentrated suspensions as a function of weight fraction and as a function of pH during titrations. Standard dispersion and centrifugation methods were used to obtain a comparative measure of PSD. Thermogravimetric analysis and X-ray diffraction patterns were used to obtain serni-quantitative and descriptive analyses, respectively, of the sediment, which is composed of Fe oxide minerals, kaolinite, gibbsite, quartz, crandallite, chlorite and traces of other clay minerals. Acoustic measurements showed that the PSD of the clay fraction varied with suspension concentration, and electroacoustic measurements showed the 'bulk' zeta potential increased in absolute value as the suspension concentration decreased. Titration results were also sensitive to suspension concentration. Acoustic measurements indicated that the suspensions became unstable at similar topH 7.5-8.0, as tire attenuation spectra changed character near this pH and the calculated PSD shifted to a larger particle size. This pH value is near the points of zero charge of goethite and gibbsite, as verified by titrations on mineral standards. The results confirm the central role oxide minerals play in regulating clay mineral interactions in highly weathered sediments, and indicate that the average zeta potential of a Suspension may be a poor indicator of controls on suspension stability. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Savannah River Technol Lab, Aiken, SC 29802 USA. RP Seaman, JC (reprint author), Univ Georgia, Savannah River Ecol Lab, Savannah River Site, Aiken, SC 29802 USA. EM seaman@vsrel.edu NR 51 TC 7 Z9 8 U1 2 U2 3 PU CLAY MINERALS SOCIETY PI AURORA PA PO BOX 460130, AURORA, CO 80046-0130 USA SN 0009-8604 J9 CLAY CLAY MINER JI Clay Clay Min. PD APR PY 2004 VL 52 IS 2 BP 158 EP 170 DI 10.1346/CCMN.2004.0520202 PG 13 WC Chemistry, Physical; Geosciences, Multidisciplinary; Mineralogy; Soil Science SC Chemistry; Geology; Mineralogy; Agriculture GA 813LZ UT WOS:000220909900002 ER PT J AU Castillo, P Koning, J Rieben, R White, D AF Castillo, P Koning, J Rieben, R White, D TI A discrete differential forms framework for computational electromagnetism SO CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES LA English DT Article; Proceedings Paper CT Workshop on Recent Advances, State-of-the-Art and Future Directions in Computational Electromagnetics CY JUN 27-28, 2002 CL Adelphi, MD SP ARL, AHPCRC DE high order finite element; H(div) and H(curl); conforming methods; computational electromagnetism; object oriented programming ID FINITE-ELEMENT METHOD; INTERPOLATORY VECTOR BASES; NUMERICAL DISPERSION; HELMHOLTZ-EQUATION; POLLUTION ERROR; R3 AB In this article, we present a computational framework for solving problems arising in electromagnetism. The framework is derived from a modem geometrical approach and is based on differential forms (or p-forms). These geometrical entities provide a natural framework for modeling of physical quantities such as electric potentials, electric and magnetic fields, electric and magnetic fluxes, etc. We have implemented an object oriented class library, called FEMSTER. The library is designed for high order finite element approximations. In addition, it can be expanded by including user-defined data types or by deriving new classes. Finally, the versatility of the software is shown through different simulations. C1 Univ Puerto Rico, Dept Math, San Juan, PR 00936 USA. Lawrence Livermore Natl Lab, Def Sci Engn Div, Livermore, CA USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Sci & Comp Res, Livermore, CA USA. RP Castillo, P (reprint author), Univ Puerto Rico, Dept Math, San Juan, PR 00936 USA. EM castillo@math.uprm.edu; konig1@llnl.gov; rieben1@llnl.gov; white37@llnl.gov NR 27 TC 23 Z9 23 U1 0 U2 2 PU TECH SCIENCE PRESS PI ENCINO PA 4924 BALBOA BLVD, # 488, ENCINO, CA 91316 USA SN 1526-1492 J9 CMES-COMP MODEL ENG JI CMES-Comp. Model. Eng. Sci. PD APR PY 2004 VL 5 IS 4 BP 331 EP 345 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 816GF UT WOS:000221097700004 ER PT J AU Tavares, FW Prausnitz, JM AF Tavares, FW Prausnitz, JM TI Analytic calculation of phase diagrams for solutions containing colloids or globular proteins SO COLLOID AND POLYMER SCIENCE LA English DT Article DE colloidal stability; protein precipitation; phase diagrams; solid-fluid equilibrium; statistical thermodynamics ID SOLID-SOLID TRANSITION; EQUILIBRIA; FLUIDS; PRECIPITATION; SYSTEMS; POLYMER AB Second-order Barker-Henderson perturbation theory gives phase diagrams for colloid and protein solutions that include stable and metastable fluid-fluid, solid-fluid, and solid-solid phases. The potential of mean force is described by a hard-sphere interacting with a Yukawa potential. Calculations for different ranges of attraction show that, as expected, fluid-fluid coexistence becomes metastable when the potential becomes short-ranged. For a very short-ranged Yukawa potential, the phase diagram shows isostructural solid-solid equilibria with a critical point. To test more simplified models, phase diagrams from second-order Barker-Henderson perturbation theory are compared with those from the random-phase approximation for the fluid phase and the van der Waals theory for the solid phase; this comparison shows significantly different phase diagrams. Moreover, with a potential of mean force with primary and secondary minima, calculations using second-order perturbation theory identify conditions where colloidal and protein solutions can present two fluid-fluid regions, each with a critical point; however, the higher-density fluid-fluid region is likely to be metastable. The analytic calculations described here may be useful for interpretation of experimental phase diagrams and for guiding design of separation processes. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Fed Rio de Janeiro, Escola Quim, BR-21949900 Rio De Janeiro, Brazil. RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM prausnit@cchem.berkeley.edu NR 32 TC 36 Z9 36 U1 2 U2 8 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0303-402X J9 COLLOID POLYM SCI JI Colloid Polym. Sci. PD APR PY 2004 VL 282 IS 6 BP 620 EP 632 DI 10.1007/s00396-003-0987-x PG 13 WC Chemistry, Physical; Polymer Science SC Chemistry; Polymer Science GA 807EU UT WOS:000220485600012 ER PT J AU Masri, AR Kalt, PAM Barlow, RS AF Masri, AR Kalt, PAM Barlow, RS TI The compositional structure of swirl-stabilised turbulent nonpremixed flames SO COMBUSTION AND FLAME LA English DT Article ID LASER RAMAN MEASUREMENTS; LOCAL EXTINCTION; COMBUSTION; METHANE; TEMPERATURE; FLOWS; NO AB The spontaneous Raman-Rayleigh-LIF (laser-induced fluorescence) technique is used to make detailed, joint, single-point measurements of a range of reactive species in highly swirling, turbulent, nonpremixed flames. Such flows are of practical importance and involve highly complex fluid dynamics, the effects of which on the chemistry remain only vaguely understood. The LIF technique is used to measure the concentrations of OH, NO, and CO. Scatter plots are presented in mixture fraction space where each data point is colour coded to reveal its original radial location. Means and rms fluctuations of the mixing, temperature, composition and reactedness fields are also shown for flames of various fuels covering a range of swirl and Reynolds numbers. The complete data set which includes flow. mixing, temperature, and composition fields is made available on the web. It is found that, with increasing swirl number, the stability limits of the flames are broadened but the scatter plots show locally unburnt fluid samples occurring in flames further from global blow-off than nonswirling bluff-body-stabilised flames of similar fuel mixtures. Another novel feature of swirling flames is the detection of local nonburning or extinction within a recirculation zone which develops, at high swirl numbers, further downstream in the flow. It is found that most of the unburnt fluid samples originate from radial locations closer to the coflow air rather than the fuel jet. The means and rms fluctuations of the mixing fields confirm that swirl enhances mixing, especially in the primary recirculation zone and leads to a broadening of the jet. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Univ Sydney, Sch Aerosp Mech & Mechatron Engn, Sydney, NSW 2006, Australia. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Masri, AR (reprint author), Univ Sydney, Sch Aerosp Mech & Mechatron Engn, Sydney, NSW 2006, Australia. EM masri@aeromech.usyd.edu.au NR 35 TC 83 Z9 85 U1 1 U2 18 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2004 VL 137 IS 1-2 BP 1 EP 37 DI 10.1016/j.combustflame.2003.12.004 PG 37 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 813LK UT WOS:000220908400001 ER PT J AU Tarver, CM Tran, TD AF Tarver, CM Tran, TD TI Thermal decomposition models for HMX-based plastic bonded explosives SO COMBUSTION AND FLAME LA English DT Article DE reaction mechanisms; condensed-phase explosives; numerical simulation ID DELTA PHASE-TRANSITION; SOLID EXPLOSIVES; KINETICS; OCTAHYDRO-1,3,5,7-TETRANITRO-1,3,5,7-TETRAZOCINE; SPECTROSCOPY; MECHANISM AB Global multistep chemical kinetic models for the thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazine (HMX)-based plastic bonded explosives (PBXs) using endothermic or exothermic binders are developed for calculation of the times to thermal explosion as functions of heating rate and geometry in the Chemical TOPAZ heat-transfer computer code. The decomposition mechanisms of the binder materials are treated separately from that of HMX, and the chemical reactions of each constituent are assumed to occur independently. Experimental data and theoretical predictions of the thermal properties, decomposition pathways. and chemical kinetic reaction rate constants are used to develop reaction sequences for each of the components present in the PBX at various weight percentages. The measured times to thermal explosion at various initial temperatures in a new One-Dimensional Time-to-Explosion (ODTX) apparatus are compared to the Chemical TOPAZ predictions. Two series of pristine HMX spheres formulated with coarse and tine particles are tested for the first time in an ODTX apparatus. The pure HMX data clearly show that the presence of an endothermic binder in a PBX increases the times to thermal explosion, while the presence of an exothermic binder decreases the times to explosion. The magnitudes of these changes in explosion time depend upon the chemical stabilities and heats of reaction of these binders. A four-step decomposition model is developed for HMX, which includes the beta to delta solid-phase transition as the first endothermic reaction. This model accurately reproduces the Pure HMX Curves. Decomposition models for the various binder components are then used with the HMX model to accurately reproduce the ODTX time-to-explosion curves. Comparisons are also made to times to thermal explosion obtained in various experiments involving aged PBXs, ramped temperature rate increases, unconfined explosives, and a larger size, cylindrical geometry called the scaled thermal explosion experiment. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Tarver, CM (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. EM tarver1@llnl.gov NR 30 TC 71 Z9 78 U1 3 U2 28 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2004 VL 137 IS 1-2 BP 50 EP 62 DI 10.1016/j.combustflame.2004.01.002 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 813LK UT WOS:000220908400003 ER PT J AU Braun, A Huggins, FE Seifert, S Ilavsky, J Shah, N Kelly, KE Sarofim, A Huffman, GP AF Braun, A Huggins, FE Seifert, S Ilavsky, J Shah, N Kelly, KE Sarofim, A Huffman, GP TI Size-range analysis of diesel soot with ultra-small angle X-ray scattering SO COMBUSTION AND FLAME LA English DT Article DE soot; combustion; small-angle; X-ray scattering; aggregation; microstructure; particle size ID ELECTRON-MICROSCOPY; GLASSY-CARBON; PARTICLES; AEROSOLS; NANOPARTICLES; COMBUSTION; FLAME AB Carbonaceous soot produced in a small diesel engine test facility was investigated with ultra-small-angle X-ray scattering. Three soot samples produced using a reference diesel fuel and the reference fuel plus two oxygenate additives were investigated. The presence of objects at three typical size ranges, i.e., aggregates, primary particles, and subunits. was observed. By Studying soot powders and pellets from pressed powder, a separation of scattering contributions front aggregates and primary particles was possible. The scattering curves of soot from oxygenated diesel show significant differences between samples obtained Under idle and load conditions. Soot from regular diesel fuel did not show Such differences. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Univ Kentucky, Consortium Fossil Fuel Sci, Lexington, KY 40506 USA. Argonne Natl Lab, Chem & Mat Technol Div, Argonne, IL 60439 USA. Purdue Univ, Dept Chem Engn, W Lafayette, IN 47907 USA. Univ Utah, Dept Chem & Fuels Engn, Salt Lake City, UT 84112 USA. RP Braun, A (reprint author), Univ Kentucky, Consortium Fossil Fuel Sci, Suite 107,Sam Whalen Bldg,533 S Limestone St, Lexington, KY 40506 USA. EM artur.braun@alumni.ethz.ch RI Huggins, Frank/A-8861-2009; Ilavsky, Jan/D-4521-2013; USAXS, APS/D-4198-2013; BRAUN, Artur/A-1154-2009; OI Ilavsky, Jan/0000-0003-1982-8900; BRAUN, Artur/0000-0002-6992-7774; Kelly, Kerry/0000-0002-2232-3092 NR 30 TC 52 Z9 54 U1 0 U2 8 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2004 VL 137 IS 1-2 BP 63 EP 72 DI 10.1016/j.combustflame.2004.01.003 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 813LK UT WOS:000220908400004 ER PT J AU Barra, AJ Ellzey, JL AF Barra, AJ Ellzey, JL TI Heat recirculation and heat transfer in porous burners SO COMBUSTION AND FLAME LA English DT Article DE combustion; porous media; porous burner; heat transfer ID FLAME STABILIZATION; PREMIXED COMBUSTION; RADIATION; MEDIA; COEFFICIENT; EMISSIONS; AIR AB Flames stabilized within porous media differ from conventional flames primarily due to the heat recirculation provided by the solid matrix. Heat is recirculated through solid conduction and solid-to-solid radiation from the matrix downstream of the flame to the matrix upstream of the flame. Solid-to-gas convection upstream of the flame preheats the incoming reactants, resulting in enhanced flame speeds and local temperatures above the adiabatic flame temperature. In this paper, the heat recirculation in a porous burner is analyzed using a one-dimensional time-dependent formulation with complete chemistry. The enhancement of flame speed is presented in terms of a ratio between the effective flame speed of a flame in a porous medium and the laminar flame speed. A heat recirculation efficiency is defined as a percentage of the firm,, rate transferred into the preheat zone. The importance of solid conduction and solid-to-solid radiation is discussed for various,,table operating conditions. The radiant output efficiency is also presented. In addition, discussions of peak and exit gas temperature trends are included. Results indicate that with increasing equivalence ratio, heat recirculation efficiency decreases. Both solid conduction and radiation play important roles in the heat transfer process. In addition, the results indicate that the observed trends are valid for burners of various lengths. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Univ Texas, Dept Mech Engn, Austin, TX 78712 USA. Univ Texas, Appl Res Labs, Austin, TX 78712 USA. RP Barra, AJ (reprint author), Sandia Natl Labs, Engn Sci Ctr, MS 0836,Org 9116,POB 5800, Albuquerque, NM 87185 USA. EM jellzey@mail.utexas.edu NR 39 TC 115 Z9 130 U1 2 U2 17 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2004 VL 137 IS 1-2 BP 230 EP 241 DI 10.1016/j.combustflame.2004.02.007 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 813LK UT WOS:000220908400014 ER PT J AU Fletcher, CF Arshad, MA Izaurralde, RC McGill, WB AF Fletcher, CF Arshad, MA Izaurralde, RC McGill, WB TI Spatial variability of nutrient requirements in fields of the South Peace River Region, Alberta SO COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS LA English DT Article DE nutrient requirements; spatial variability; site-specific fertilizer practices; Northern Alberta ID MANAGEMENT AB Site-specific fertilizer application is pertinent only if there is a significant sub-field variability in nutrient requirements. The variability in soil test recommendations for nitrogen (N), phosphorus (P), potassium (K), and sulfur (S) was measured, along transects across three fields in the South Peace River region of Alberta. Depending on the field and intended crop, site-specific fertilizer application would: (1) increase fertilizer inputs by 4-10 kg ha(-1), (2) reduce fertilizer inputs by 5-30 kg ha(-1), or (3) redistribute the same amount of fertilizer required for uniform application, differently among nutrients and across the field. Fields with extreme topography are more likely to benefit from site-specific fertilizer application, however, slope position alone would be inadequate to stratify fields for this purpose. Requirements for K were the most sensitive to sub-field variability, followed by those for S, P, and N. Producers in the region may not consider site-specific application because grid sampling may be too costly. Quick and economical ways to determine site-specific fertilizer requirements are needed. C1 Agr & Agri Food Canada, Beaverlodge, AB T0H 0C0, Canada. Univ No British Columbia, Prince George, BC V2L 5P2, Canada. Pacific NW Natl Lab, Washington, DC USA. RP Arshad, MA (reprint author), Agr & Agri Food Canada, Res Stn Rd,Box 29, Beaverlodge, AB T0H 0C0, Canada. EM arshadc@agr.gc.ca RI Izaurralde, Roberto/E-5826-2012 NR 21 TC 5 Z9 5 U1 0 U2 1 PU MARCEL DEKKER INC PI NEW YORK PA 270 MADISON AVE, NEW YORK, NY 10016 USA SN 0010-3624 J9 COMMUN SOIL SCI PLAN JI Commun. Soil Sci. Plant Anal. PD APR PY 2004 VL 35 IS 7-8 BP 903 EP 919 DI 10.1081/CSS-120030563 PG 17 WC Agronomy; Plant Sciences; Chemistry, Analytical; Soil Science SC Agriculture; Plant Sciences; Chemistry GA 816PJ UT WOS:000221121500001 ER PT J AU Nguyen, BN Khaleel, MA AF Nguyen, BN Khaleel, MA TI A mechanistic approach to damage in short-fiber composites based on micromechanical and continuum damage mechanics descriptions SO COMPOSITES SCIENCE AND TECHNOLOGY LA English DT Article DE short-fiber composite; matrix cracking; damage mechanics; stress concentration ID LAMINATED COMPOSITES; MATRIX; STIFFNESS; BEHAVIOR; STRESS AB A micro-macro mechanistic approach to matrix cracking in randomly oriented short-fiber composites is developed in this paper. At the micro-scale, the virgin and reduced elastic properties of the reference aligned fiber composite are determined using micromechanical models [Proc. Roy Soc. Lond. A241 (1957) 376; Acta Metall. 21 (1973) 571; Mech. Mater. 2 (1983) 123], and are then distributed over all possible orientations in order to compute the stiffness of the random fiber composite containing random matrix microcracks. After that the macroscopic response is obtained by means of a continuum damage mechanics formulation, which extends the thermodynamics based approach in [Comp. Sci. Technol. 46 (1993) 29] to randomly oriented short-fiber composites. Damage accumulations leading to initiation and propagation of a macroscopic crack are modeled using a vanishing element technique. The model is validated against the published experimental data and results [Comp. Sci. Technol 55 (1995) 171]. Finally, its practical application is illustrated through the damage analysis of a random glass/epoxy composite plate containing a central hole and under tensile loading. (C) 2003 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nguyen, BN (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM ba.nguyen@pnl.gov OI khaleel, mohammad/0000-0001-7048-0749 NR 23 TC 22 Z9 22 U1 2 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-3538 J9 COMPOS SCI TECHNOL JI Compos. Sci. Technol. PD APR PY 2004 VL 64 IS 5 BP 607 EP 617 DI 10.1016/S0266-3538(03)00293-8 PG 11 WC Materials Science, Composites SC Materials Science GA 802GK UT WOS:000220151800001 ER PT J AU Lee, HK Simunovic, S Shin, DK AF Lee, HK Simunovic, S Shin, DK TI A computational approach for prediction of the damage evolution and crushing behavior of chopped random fiber composites SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE damage evolution; crushing behavior; finite element implementation; chopped random fiber composites; crashworthiness simulations ID QUASI-BRITTLE MATERIALS; CONSTITUTIVE MODEL; MATRIX COMPOSITES; FRACTURE; MICROMECHANICS; CRITERIA; FAILURE; DUCTILE AB A computational model is developed, by implementing the damage models previously proposed by authors into a finite element code, for simulating the damage evolution and crushing behavior of chopped random fiber composites. Material damages induced by fiber debonding and crack nucleation and growth are considered. Systematic computational algorithms are developed to combine the damage models into the constitutive relation. Based on the implemented computational model, a range of simulations are carried out to probe the behavior of the composites and to validate the proposed methodology. Numerical examples show that the present computational model is capable of modeling progressive deterioration of effective stiffness and softening behavior after the peak load. Crushing behavior of composite tube is also simulated, which shows the applicability of the proposed computational model for crash-worthiness simulations. (C) 2004 Elsevier B.V. All rights reserved. C1 Univ Miami, Dept Civil Architectural & Environm Engn, Coral Gables, FL 33124 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Myongji Univ, Dept Civil Engn, Yongin 449728, South Korea. RP Lee, HK (reprint author), Univ Miami, Dept Civil Architectural & Environm Engn, Coral Gables, FL 33124 USA. EM hlee@miami.edu RI Lee, Haeng Ki/C-1640-2011 NR 34 TC 14 Z9 14 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD APR PY 2004 VL 29 IS 4 BP 459 EP 474 DI 10.1016/j.commatsci.2003.12.008 PG 16 WC Materials Science, Multidisciplinary SC Materials Science GA 809JV UT WOS:000220633900009 ER PT J AU Tomov, S Bennett, R McGuigan, M Peskin, A Smith, G Spiletic, J AF Tomov, S Bennett, R McGuigan, M Peskin, A Smith, G Spiletic, J TI Application of interactive parallel visualization for commodity-based clusters using visualization APIs SO COMPUTERS & GRAPHICS-UK LA English DT Article DE interactive visualization; visualization APIs; commodity-based cluster visualization; parallel visualization; remote rendering; chromium; open inventor; VTK; MPI AB We present an efficient and inexpensive to develop application for interactive high-performance parallel visualization. We extend popular APIs such as Open Inventor and VTK to support commodity-based cluster visualization. Our implementation follows a standard master/slave concept: the general idea is to have a "Master" node, which will intercept a sequential graphical user interface and broadcast it to the "Slave" nodes. The interactions between the nodes are implemented using MPI The parallel remote rendering uses Chromium. This paper is mainly the report of our implementation experiences. We present in detail the proposed model and key aspects of its implementation. Also, we present performance measurements, we benchmark and quantitatively demonstrate the dependence of the visualization speed on the data size and the network bandwidth, and we identify the singularities and draw conclusions on Chromium's sort-first rendering architecture. The most original part of this work is the combined use of Open Inventor and Chromium. (C) 2003 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Div Informat Technol, Upton, NY 11973 USA. RP Tomov, S (reprint author), Brookhaven Natl Lab, Div Informat Technol, Bldg 515, Upton, NY 11973 USA. EM tomov@bnl.gov; robertb@bnl.gov; mcguigan@bnl.gov; peskin@bnl.gov; smith3@bnl.gov; spiletic@bnl.gov NR 23 TC 1 Z9 1 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0097-8493 J9 COMPUT GRAPH-UK JI Comput. Graph.-UK PD APR PY 2004 VL 28 IS 2 BP 273 EP 278 DI 10.1016/j.cag.2003.12.011 PG 6 WC Computer Science, Software Engineering SC Computer Science GA 804KP UT WOS:000220297900012 ER PT J AU Linsen, L Pascucci, V Duchaineau, MA Hamann, B Joy, KI AF Linsen, L Pascucci, V Duchaineau, MA Hamann, B Joy, KI TI Wavelet-based multiresolution with (n)root 2 subdivision SO COMPUTING LA English DT Article; Proceedings Paper CT 5th Dagstuhl Seminar on Geometric Modelling CY MAY, 2002 CL Dagstuhl, GERMANY DE multiresolution modeling; (time-varying) volume modeling; subdivision; B-spline wavelets; data approximation AB Multiresolution methods are a common technique used for dealing with large-scale data and representing it at multiple levels of detail. We present a multiresolution hierarchy construction based on (n)root2 subdivision, which has all the advantages of a regular data organization scheme while reducing the drawback of coarse granularity. The (n)root2-subdivision scheme only doubles the number of vertices in each subdivision step regardless of dimension n. We describe the construction of 2D, 3D, and 4D hierarchies representing surfaces, volume data, and time-varying volume data, respectively. The 4D approach supports spatial and temporal scalability. For high-quality data approximation on each level of detail, we use downsampling filters based on n-variate B-spline wavelets. We present a B-spline wavelet lifting scheme for (n)root2-subdivision steps to obtain small or narrow filters. Narrow filters support adaptive refinement and out-of-core data exploration techniques. C1 Univ Calif Davis, Dept Comp Sci, CIPIC, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Data Sci Grp, CASC, Livermore, CA 94550 USA. RP Linsen, L (reprint author), Univ Calif Davis, Dept Comp Sci, CIPIC, Davis, CA 95616 USA. EM llinsen@ucdavis.edu; jpascucci1@llnl.gov; duchaineau1@llnl.gov; hamann@cs.ucdavis.edu; joy@cs.ucdavis.edu NR 12 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG WIEN PI VIENNA PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 VIENNA, AUSTRIA SN 0010-485X J9 COMPUTING JI Computing PD APR PY 2004 VL 72 IS 1-2 BP 129 EP 142 DI 10.1007/s00607-003-0052-0 PG 14 WC Computer Science, Theory & Methods SC Computer Science GA 821IH UT WOS:000221453100012 ER PT J AU Kwit, C Horvitz, CC Platt, WJ AF Kwit, C Horvitz, CC Platt, WJ TI Conserving slow-growing, long-lived tree species: Input from the demography of a rare understory conifer, Taxus floridana SO CONSERVATION BIOLOGY LA English DT Article DE elasticity analysis; environmental stochasticity; episodic recruitment; matrix population models; population dynamics; spatial and temporal variation ID APALACHICOLA RIVER BLUFFS; TORREYA-TAXIFOLIA; DYNAMICS; FOREST; CONSERVATION; GROWTH; MODEL; PLANT; SEED; YEW AB Although land preservation and promotion of successful regeneration are important conservation actions, their ability to increase population growth rates of slow-growing, long-lived trees is limited. We investigated the demography of Taxus floridana Nutt., a rare understory conifer, in three populations in different ravine forests spanning its entire geographic range along the Apalachicola River Bluffs in northern Florida (U.S.A.). We examined spatial and temporal patterns in demographic parameters and projected population growth rates by using four years of data on the recruitment and survival of seedlings and established stems, and on,diameter growth from cross-sections of dead stems. All populations experienced a roughly 10-fold increase in seedling recruitment in 1996 compared with other years. The fates of seedlings and stems between 8 and 16 mm differed among populations, The fates of stems in two other size classes (the 2- to 4-mm class and the 4- to 8-mm class) differed among both populations and years. Individual stems in all populations exhibited similarly slow growth rates. Stochastic matrix models projected declines in all populations. Stochastic matrix analysis revealed the high elasticity of a measure of stochastic population growth rate to perturbations in the stasis of large reproductive stems for all populations. Additional analyses also indicated that occasional episodes of high recruitment do not greatly affect population growth rates. Conservation efforts directed at long-lived, slow-growing rare plants like Taxus floridana should both protect established reproductive individuals and further enhance survival of individuals in other life-history stages, such as juveniles, that often do not appear to contribute greatly to population growth rates. C1 Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. Univ Miami, Dept Biol, Coral Gables, FL 33124 USA. RP Kwit, C (reprint author), Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM kwit@srel.edu NR 58 TC 27 Z9 29 U1 4 U2 29 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0888-8892 J9 CONSERV BIOL JI Conserv. Biol. PD APR PY 2004 VL 18 IS 2 BP 432 EP 443 DI 10.1111/j.1523-1739.2004.00567.x PG 12 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 808KF UT WOS:000220567300021 ER PT J AU Zhang, J Li, N AF Zhang, J Li, N TI Analytical solution on the transient corrosion/precipitation in non-isothermal liquid lead bismuth eutectic flow loops SO CORROSION LA English DT Article DE corrosion rate; flow-induced corrosion; lead-bismuth eutectic; liquid-metal corrosion; mass transfer ID STEEL CORROSION; HEAT-TRANSFER; SYSTEMS; MODEL; MASS; BEHAVIOR; COOLANT; OXYGEN; ALLOYS; PIPE AB Steel corrosion by liquid lead bismuth eutectic (LBE) is one of the critical problems when using the liquid-metal alloy as a coolant in advanced nuclear systems. In a non-isothermal LBE flow loop, the materials corrosion occurs at the hot legs of the circuit and precipitation occurs at some other cooler legs due to mass transfer. In the present study, the transient corrosion and precipitation phenomena in such systems were investigated. An analytical solution was obtained through solving the mass-transfer equation in the boundary layer for the diffusion-limited corrosion process. The temperature-dependent wall corrosion product concentration was a,function of the stream-wise coordinate. Solutions for different wall concentration profiles were used to examine the transient process. The initial and final behaviors of the corrosion/precipitation profile are shown for different loop flows. These results reveal important differences between the initial and steady-state corrosion/precipitation phenomena, and how quickly they evolve. This new understanding will help improve the interpretation of the experimental data and the rational application of the corrosion test data to experimental and industrial systems. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Zhang, J (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, MS-B258, Los Alamos, NM 87545 USA. EM jzhang@cnls.lanl.gov RI Zhang, Jinsuo/H-4717-2012 OI Zhang, Jinsuo/0000-0002-3412-7769 NR 25 TC 5 Z9 5 U1 0 U2 0 PU NATL ASSN CORROSION ENG PI HOUSTON PA 1440 SOUTH CREEK DRIVE, HOUSTON, TX 77084-4906 USA SN 0010-9312 J9 CORROSION JI Corrosion PD APR PY 2004 VL 60 IS 4 BP 331 EP 341 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 811TT UT WOS:000220794900001 ER PT J AU Kim, KHP Jung, CU Kang, BW Kim, KH Lee, HS Lee, SI Tamura, N Caldwell, WA Patel, JR AF Kim, KHP Jung, CU Kang, BW Kim, KH Lee, HS Lee, SI Tamura, N Caldwell, WA Patel, JR TI Microstructure and superconductivity of MgB2 single crystals SO CURRENT APPLIED PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Advanced Materials and Nanotechnology CY FEB 09-14, 2003 CL WELLINGTON, NEW ZEALAND DE MgB2; impurity phase; X-ray micro-diffraction ID PHASE-DIAGRAM; THIN-FILMS; TEMPERATURE; ANISOTROPY; DEFECTS; GROWTH AB The hexagonal-disc-shaped MgB2 single crystals were synthesized under the high-pressure conditions. The crystal symmetry, lattice constants as well as the Laue pattern of these single crystals were obtained from X-ray micro-diffraction. A crystallographic mapping showed that the edge and the c-axis of hexagonal-disc shape exactly matched the [10 (1) over bar0] and [0001] directions of the MgB2 phase. This clearly confirmed that above well-shaped single crystals could be excellent samples to study the unsolved direction dependencies of the physical properties. (C) 2003 Elsevier B.V. All rights reserved. C1 Pohang Univ Sci & Technol, Dept Phys, Natl Creat REs Initiat Ctr Superconduct, Pohang 790784, South Korea. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Stanford Univ, Stanford Linear Accelerator Ctr, SSRL, Stanford, CA 94309 USA. RP Pohang Univ Sci & Technol, Dept Phys, Natl Creat REs Initiat Ctr Superconduct, Pohang 790784, South Korea. EM silee@postech.ac.kr NR 36 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1567-1739 EI 1878-1675 J9 CURR APPL PHYS JI Curr. Appl. Phys. PD APR PY 2004 VL 4 IS 2-4 BP 272 EP 275 DI 10.1016/j.cap.2003.11.026 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 812HT UT WOS:000220831300047 ER PT J AU Capote, G Freire, FL Jacobsohn, LG Mariotto, G AF Capote, G Freire, FL Jacobsohn, LG Mariotto, G TI Amorphous hydrogenated carbon films deposited by PECVD in methane atmospheres highly diluted in argon: effect of the substrate temperature SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 14th European Conference on Diamond, Diamond-like Materials, Carbon Nanotubes, Nitrides and Silicon Carbide CY SEP 08-12, 2003 CL Salzburg, AUSTRIA SP AIXTRON AG, Elsevier Ltd, Iplas Innovat Plasma, Jobin Yvon GbmH, KINIK, Renishaw Plc, Roth & Rau, Seki Technotron, UralAlmazInvest Co DE amorphous hydrogenated carbon; plasma CVD; microstructure; mechanical properties ID CHEMICAL-VAPOR-DEPOSITION; MECHANICAL-PROPERTIES; HYDROCARBON FILMS; THIN-FILMS; PLASMA; AR; STRESS AB Amorphous hydrogenated carbon films (a-C:H) were deposited by r.f.-PECVD using 13 Pa methane (98%)-argon (2%) mixture or pure methane as precursor atmospheres. The films were deposited on c-Si substrates kept at 250 K, 300 K and 420 K, respectively, the self-bias voltage (V-b) ranging from -50 to -500 V. The chemical composition and atomic density of different films were determined by ion beam analysis. The film microstructure and chemical bonding were probed by means of Raman scattering and infrared spectroscopy. The internal stress was determined through the measure of substrate curvature by a profilometer. The deposition rates are dependent on the substrate temperature in agreement with the adsorbed layer model. In fact, the films deposited on the substrate at low-temperature have a polymeric character, revealed by the high content of hydrogen and of C(sp(3))-H bonds, low density and low internal stress. However, Raman results indicate an increase of the sp(2) domains upon increase of self-bias voltage that is more important for films deposited on substrate at high temperature. Finally, internal stress measurements show a maximum at V-b = - 160 V for films deposited in Ar-CH4 atmospheres, while it occurs at V-b 270 V for films deposited from pure methane atmospheres. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Trent, Ist Nazl Fis Mat, I-38050 Trent, Italy. Univ Trent, Dipartimento Fis, I-38050 Trent, Italy. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Pontificia Univ Catolica Rio de Janeiro, Dept Fis, BR-22453970 Rio De Janeiro, RJ, Brazil. RP Mariotto, G (reprint author), Univ Trent, Ist Nazl Fis Mat, I-38050 Trent, Italy. EM mariotto@science.unitn.it RI Mariotto, Gino/B-1629-2013; Mariotto, Gino/M-3769-2015; OI Mariotto, Gino/0000-0002-0035-1404; Jacobsohn, Luiz/0000-0001-8991-3903 NR 17 TC 15 Z9 15 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD APR-AUG PY 2004 VL 13 IS 4-8 BP 1454 EP 1458 DI 10.1016/j.diamond.2003.11.030 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 824MQ UT WOS:000221691100175 ER PT J AU Bailey, SM Cornforth, MN Ullrich, RL Goodwin, EH AF Bailey, SM Cornforth, MN Ullrich, RL Goodwin, EH TI Dysfunctional mammalian telomeres join with DNA double-strand breaks SO DNA REPAIR LA English DT Article DE mammalian telomeres; DNA repair; double-strand breaks; instability; radiation sensitivity ID DEPENDENT PROTEIN-KINASE; IN-SITU HYBRIDIZATION; CHROMOSOME STABILITY; CATALYTIC SUBUNIT; GENOMIC STABILITY; SCID MOUSE; REPAIR; END; CELLS; ABERRATIONS AB In addition to joining broken DNA strands, several non-homologous end-joining (NHEJ) proteins have a second seemingly antithetical role in constructing functional telomeres, the nucleoprotein structures at the termini of linear eukaryotic chromosomes that prevent joining between natural chromosome ends. Although NHEJ deficiency impairs double-strand break (DSB) repair, it also promotes inappropriate chromosomal end fusions that are observed microscopically as dicentric chromosomes with telomeric DNA sequence at points of joining. Here, we test the proposition that unprotected telomeres can fuse not only to other dysfunctional telomeres, but also to ends created by DSBs. Severe combined immunodeficiency (scid) is caused by a mutation in the catalytic subunit of DNA-dependent protein kinase (DNA-PK), an enzyme required for both efficient DSB repair and telomeric end-capping. Cells derived from wild-type, Trp53(-/-), scid, and Trp53(-/-)/scid mice were exposed to gamma radiation to induce DSBs, and chromosomal aberrations were analyzed using a novel cytogenetic technique that can detect joining of a telomere to a DSB end. Telomere-DSB fusions were observed in both cell lines having the scid mutation, but not in wild-type nor Trp53(-/-) cells. Over a range of 25-340 cGy, half of the visible exchange-type chromosomal aberrations in Trp53(-/-)/scid cells involved telomere-DSB fusions. Our results demonstrate that unprotected telomeres are not only sensed as, but also acted upon, by the DNA repair machinery as if they were DSB ends. By opening a new pathway for misrepair, telomere-DSB fusion decreases the overall fidelity of DSB repair. The high frequency of these events in scid cells indicates telomere dysfunction makes a strong, and previously unsuspected, contribution to the characteristic radiation sensitivity associated with DNA-PK deficiency. (C) 2003 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Texas, Med Branch, Dept Radiat Oncol, Galveston, TX 77555 USA. Colorado State Univ, Dept Environm & Radiol Hlth Sci, Ft Collins, CO 80523 USA. RP Goodwin, EH (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM egoodwin@lanl.gov FU NCI NIH HHS [CA-43322, CA-73929, CA-76260] NR 37 TC 60 Z9 65 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD APR 1 PY 2004 VL 3 IS 4 BP 349 EP 357 DI 10.1016/j.dnarep.2003.11.007 PG 9 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 805EV UT WOS:000220350500001 PM 15010310 ER PT J AU Setlow, RB AF Setlow, RB TI A second life in science - working after the age of 65 SO DNA REPAIR LA English DT Editorial Material DE DNA repair; germ cell mutapesis; ionizing radiation; lymphocytes; melanoma; skin fibroblasts; space radiation; variations among populations ID ATOMIC-BOMB SURVIVORS; ULTRAVIOLET-LIGHT; ESCHERICHIA-COLI; ACTION SPECTRA; SKIN-CANCER; MALIGNANT-MELANOMA; PYRIMIDINE DIMERS; RADIATION; FISH; DNA AB I was born in January, 1921 and was fortunate in working for a research organization that had no fixed retirement age. I was permitted to continue Science as long as there were some resources to support research that had some relevance to the organization's goals. A number of projects on which I worked were continuations of ones begun before the age of 65 (1986) and several new ones were based oil both previous interests and ideas and some on new ideas. A number of the ideas arose from participation on Committees of the US National Research Council. I was able to extend my earlier interests in DNA repair to include experiments on the variations in DNA repair among apparently normal humans. In collaborations with other researchers we showed that the repair abilities following exposures to chemicals or to ionizing or ultraviolet (UV) radiation did not follow Poisson distributions. I participated in experiments, using a fish model to estimate the wavelength ranges in sunlight responsible for inducing melanoma and another fish model to estimate the germ cell mutations that might arise from exposures to the heavily ionizing particles in cosmic rays beyond low Earth orbit. A transgenic fish model was used to investigate the possibilities of using the fish to assay for mutagens in sediments in Long Island Sound. These Reflections summarize the atmosphere necessary for a second life and the scientific results of this life. (C) 2004 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Setlow, RB (reprint author), Brookhaven Natl Lab, Dept Biol, POB 5000, Upton, NY 11973 USA. EM setlow@bnl.gov NR 43 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD APR 1 PY 2004 VL 3 IS 4 BP 441 EP 449 DI 10.1016/j.dnarep.2003.04.002 PG 9 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 805EV UT WOS:000220350500011 PM 15010320 ER PT J AU Heidbreder, CA Andreoli, M Marcon, C Thanos, PK Ashby, CR Gardner, EL AF Heidbreder, CA Andreoli, M Marcon, C Thanos, PK Ashby, CR Gardner, EL TI Role of dopamine D-3 receptors in the addictive properties of ethanol SO DRUGS OF TODAY LA English DT Review ID TRIDIMENSIONAL PERSONALITY QUESTIONNAIRE; HUMAN COCAINE FATALITIES; VENTRAL TEGMENTAL AREA; RAT NUCLEUS-ACCUMBENS; D3 RECEPTOR; ALCOHOL-DEPENDENCE; MESSENGER-RNA; HUMAN BRAIN; SELECTIVE ANTAGONISM; WITHDRAWAL SYNDROME AB After the cloning of the dopamine D-1 and D-2 receptors (1-3), several additional dopamine receptors were identified. These new subtypes included the D-3 and D-4 receptors, which are similar to D-2, and the D-5 receptor, which is similar to D-1 (4-6). Although most studies have focused on the role of dopamine D-1 and D-2 receptors in mediating the addictive liability of drugs, the lack of selective pharmacological tools has significantly hampered this particular field of research. In contrast, recent studies using selective competitive antagonists have shown that the dopamine D-3 receptor is involved in drug-seeking behavior. The present review is intended to highlight a new, promising area in alcohol research that focuses on the role of the dopamine D-3 receptor in the addictive properties of ethanol. (C) 2004 Prous Science. All rights reserved. C1 GlaxoSmithKline Pharmaceut, Ctr Excellence Drug Discovery Psychiat, Dept Biol, I-37135 Verona, Italy. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. St Johns Univ, Coll Pharm & Allied Hlth Profess, Dept Pharmaceut Sci, Jamaica, NY 11439 USA. Natl Inst Drug Abuse, Intramural Res Program, Baltimore, MD 21224 USA. RP Heidbreder, CA (reprint author), GlaxoSmithKline Pharmaceut, Ctr Excellence Drug Discovery Psychiat, Dept Biol, Via A Fleming 4, I-37135 Verona, Italy. EM Christian_A_Heidbreder@gsk.com NR 93 TC 31 Z9 31 U1 2 U2 3 PU PROUS SCIENCE, SA PI BARCELONA PA PO BOX 540, PROVENZA 388, 08025 BARCELONA, SPAIN SN 0025-7656 J9 DRUGS TODAY JI Drugs Today PD APR PY 2004 VL 40 IS 4 BP 355 EP 365 DI 10.1358/dot.2004.40.4.820081 PG 11 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 827TF UT WOS:000221923000004 PM 15190388 ER PT J AU Zhang, JS Li, N AF Zhang, JS Li, N TI Heterogeneous ECE processes at channel electrodes: Analytical solution for all reaction rate constants and different diffusion coefficients SO ELECTROANALYSIS LA English DT Article DE analytical solution; effective number of electrons transferred; diffusion; channel electrodes; reaction ID COMPUTATIONAL ELECTROCHEMISTRY; FLOW CELL; VOLTAMMETRY AB An analytical solution is developed for heterogeneous ECE processes occurring at channel electrode surface for both laminar and turbulent flow. The solution explicitly links the behavior of ECE processes and the parameters. A simple expression of the effective number of electrons transferred, covering all the reaction rate constants and different diffusion coefficients of the reactant A and the intermediate product B, is obtained. Excellent agreement with previous numerical and analytical results is shown. Parametric studies illustrate the effects of diffusion coefficients, hydrodynamic factors and reaction rate constants on the effective number of electrons transferred and the currents. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, CNLS, Los Alamos, NM 87545 USA. RP Zhang, JS (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, CNLS, POB 1663,MS-B258, Los Alamos, NM 87545 USA. EM jzhang@cnls.lanl.gov RI Zhang, Jinsuo/H-4717-2012 OI Zhang, Jinsuo/0000-0002-3412-7769 NR 11 TC 0 Z9 0 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1040-0397 J9 ELECTROANAL JI Electroanalysis PD APR PY 2004 VL 16 IS 8 BP 650 EP 655 DI 10.1002/elan.200302856 PG 6 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 819AM UT WOS:000221285600007 ER PT J AU Williams, BS Kumar, S Hu, Q Reno, JL AF Williams, BS Kumar, S Hu, Q Reno, JL TI Resonant-phonon terahertz quantum-cascade laser operating at 2.1 THz (lambda similar or equal to 141 mu m) SO ELECTRONICS LETTERS LA English DT Article AB The development of quantum-cascade lasers (QCLs) at 2.1 THz (lambda similar or equal to 141 mum), which is the longest wavelength QCL to date without the assistance of magnetic fields, is reported. This laser uses a structure based on resonant-phonon depopulation, and a metal-metal waveguide to obtain high modal confinement with low waveguide losses. Lasing was observed up to a heatsink temperature of 72 K in pulsed mode and 40 K in continuous-wave (CW) mode, and 1.2 mW of power was obtained in CW mode at 17 K. C1 MIT, Dept Elect Engn & Comp Sci, Elect Res Lab, Cambridge, MA 02139 USA. Sandia Natl Labs, Dept 1123, Albuquerque, NM 87185 USA. RP Williams, BS (reprint author), MIT, Dept Elect Engn & Comp Sci, Elect Res Lab, Cambridge, MA 02139 USA. RI Williams, Benjamin/B-4494-2013 OI Williams, Benjamin/0000-0002-6241-8336 NR 9 TC 57 Z9 57 U1 1 U2 5 PU IEE-INST ELEC ENG PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 0013-5194 J9 ELECTRON LETT JI Electron. Lett. PD APR 1 PY 2004 VL 40 IS 7 BP 431 EP 433 DI 10.1049/el:20040300 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA 812UW UT WOS:000220865400022 ER PT J AU Dahl, JK Buechler, KJ Finley, R Stanislaus, T Weimer, AW Lewandowski, A Bingham, C Smeets, A Schneider, A AF Dahl, JK Buechler, KJ Finley, R Stanislaus, T Weimer, AW Lewandowski, A Bingham, C Smeets, A Schneider, A TI Rapid solar-thermal dissociation of natural gas in an aerosol flow reactor SO ENERGY LA English DT Article; Proceedings Paper CT 11th International Symposium on Concentrated Solar Power and Chemical Energy Technologies CY SEP 04-06, 2002 CL Zurich, SWITZERLAND SP Swiss Fed Inst Technol, Paul Scherrer Inst, Swiss Fed Off Engergy ID METHANE; ENERGY AB A solar-thermal aerosol flow reactor process is being developed to dissociate natural gas (NG) to hydrogen (H-2) and carbon black at high rates. Concentrated sunlight approaching 10 kW heats a 9.4 cm long x 2.4 cm diameter graphite reaction tube to temperatures similar to2000 K using a 74% theoretically efficient secondary concentrator. Pure methane feed has been dissociated to 70% for residence times less than 0.1 s. The resulting carbon black is 20-40 nm in size, amorphous, and pure. A 5 million (M) kg/yr carbon black/1.67 M kg/yr H-2 plant is considered for process scale-up. The total permanent investment (TPI) of this plant is $12.7 M. A 15% IRR after tax is achieved when the carbon black is sold for $0.66/ kg and the H-2 for $13.80/GJ. This plant could supply 0.06% of the world carbon black market. For this scenario, the solar-thermal process avoids 277 MJ fossil fuel and 13.9 kg-equivalent CO2/kg H-2 produced as compared to conventional steam-methane reforming and furnace black processing. (C) 2003 Elsevier Ltd. All rights reserved. C1 Univ Colorado, Dept Chem Engn, Ctr Engn, ECCH 111, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Weimer, AW (reprint author), Univ Colorado, Dept Chem Engn, Ctr Engn, ECCH 111, Campus Box 424, Boulder, CO 80309 USA. EM alan.weimer@colorado.edu NR 16 TC 46 Z9 47 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD APR-MAY PY 2004 VL 29 IS 5-6 BP 715 EP 725 DI 10.1016/S0360-5442(03)00179-8 PG 11 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 804CZ UT WOS:000220278100009 ER PT J AU Kearney, D Kelly, B Herrmann, U Cable, R Pacheco, J Mahoney, R Price, H Blake, D Nava, P Potrovitza, N AF Kearney, D Kelly, B Herrmann, U Cable, R Pacheco, J Mahoney, R Price, H Blake, D Nava, P Potrovitza, N TI Engineering aspects of a molten salt heat transfer fluid in a trough solar field SO ENERGY LA English DT Article; Proceedings Paper CT 11th International Symposium on Concentrated Solar Power and Chemical Energy Technologies CY SEP 04-06, 2002 CL Zurich, SWITZERLAND SP Swiss Fed Inst Technol, Paul Scherrer Inst, Swiss Fed Off Engergy AB An evaluation was carried out to investigate the feasibility of utilizing a molten salt as the heat transfer fluid (HTF) and for thermal storage in a parabolic trough solar field to improve system performance and to reduce the levelized electricity cost. The operating large-scale solar parabolic trough plants in the USA currently use a high temperature synthetic oil in the solar field consisting of a eutectic mixture of biphenyl/diphenyl oxide. The scope of the overall investigation included examination of known critical issues, postulating solutions or possible approaches where potential problems existed, and the quantification of performance and electricity cost using preliminary, but reasonable, cost inputs. The two leading candidates were the so-called solar salt (a binary salt consisting of 60% NaNO3 and 40% KNO3) and a salt sold commercially as HitecXL (a ternary salt consisting of 48% Ca(NO3)(2), 7% NaNO3, and 45% KNO3). Operation and maintenance (O&M) becomes an important concern with molten salt in the solar field. This paper addresses that concern, focusing on design and O&M issues associated with routine freeze protection, solar field preheat methods, collector loop maintenance and the selection of appropriate materials for piping and fittings. (C) 2003 Elsevier Ltd. All rights reserved. C1 Kearney & Associates, Vashon, WA 98070 USA. Nexant Inc, San Francisco, CA 94104 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. KJC Operating Co, Boron, CA 93516 USA. Flabeg Solar Int, D-58070 Cologne, Germany. RP Kearney, D (reprint author), Kearney & Associates, POB 2568, Vashon, WA 98070 USA. EM dkearney@attglobal.net NR 4 TC 96 Z9 107 U1 1 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD APR-MAY PY 2004 VL 29 IS 5-6 BP 861 EP 870 DI 10.1016/S0360-5442(03)00191-9 PG 10 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 804CZ UT WOS:000220278100021 ER PT J AU Herrmann, U Kelly, B Price, H AF Herrmann, U Kelly, B Price, H TI Two-tank molten salt storage for parabolic trough solar power plants SO ENERGY LA English DT Article; Proceedings Paper CT 11th International Symposium on Concentrated Solar Power and Chemical Energy Technologies CY SEP 04-06, 2002 CL Zurich, SWITZERLAND SP Swiss Fed Inst Technol, Paul Scherrer Inst, Swiss Fed Off Engergy AB The most advanced thermal energy storage for solar thermal power plants is a two-tank storage system where the heat transfer fluid (HTF) also serves as storage medium. This concept was successfully demonstrated in a commercial trough plant (13.8 MWe SEGS I plant; 120 MWh(t) storage capacity) and a demonstration tower plant (10 MWe Solar Two; 105 MWh(t) storage capacity). However, the HTF used in state-of-the-art parabolic trough power plants (30-80 MWe) is expensive, dramatically increasing the cost of larger HTF storage systems. An engineering study was carried out to evaluate a concept, where another (less expensive) liquid medium such as molten salt is utilized as storage medium rather than the HTF itself. Detailed performance and cost analyses were conducted to evaluate the economic value of this concept. The analyses are mainly based on the operation experience from the SEGS plants and the Solar Two project. The study concluded that the specific cost for a two-tank molten salt storage is in the range of US$ 30-40/kWh(th) depending on storage size. Since the salt storage was operated successfully in the Solar Two project, no major barriers were identified to realize this concept in the first commercial parabolic trough power plant. (C) 2003 Elsevier Ltd. All rights reserved. C1 FLABEG Solar Int GmbH, D-50667 Cologne, Germany. Natl Renewable Energy Lab, Golden, CO USA. Nexant Inc, San Francisco, CA 94105 USA. RP Herrmann, U (reprint author), FLABEG Solar Int GmbH, Muhlengasse 7, D-50667 Cologne, Germany. EM ulf.herrmann@flagsol.de NR 6 TC 186 Z9 204 U1 11 U2 61 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD APR-MAY PY 2004 VL 29 IS 5-6 BP 883 EP 893 DI 10.1016/S0360-5442(03)00193-2 PG 11 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 804CZ UT WOS:000220278100023 ER PT J AU Dersch, J Geyer, M Herrmann, U Jones, SA Kelly, B Kistner, R Ortmanns, W Pitz-Paal, R Price, H AF Dersch, J Geyer, M Herrmann, U Jones, SA Kelly, B Kistner, R Ortmanns, W Pitz-Paal, R Price, H TI Trough integration into power plants - a study on the performance and economy of integrated solar combined cycle systems SO ENERGY LA English DT Article; Proceedings Paper CT 11th International Symposium on Concentrated Solar Power and Chemical Energy Technologies CY SEP 04-06, 2002 CL Zurich, SWITZERLAND SP Swiss Fed Inst Technol, Paul Scherrer Inst, Swiss Fed Off Engergy AB Parabolic trough solar technology has been proven at nine commercial Solar Electric Generating Systems (SEGS) power plants that are operating in the California Mojave desert. These plants utilize steam Rankine cycle power plants, and as a result, most people associate parabolic trough solar technology with steam Rankine cycle power plant technology. Although these plants are clearly optimized for their particular application, other power cycle designs may be appropriate in other situations. Of particular interest is the integration of parabolic trough solar technology with combined cycle power plant technology. This configuration is referred to as integrated solar combined cycle systems (ISCCS). Four potential projects in India, Egypt, Morocco, and Mexico are considering the ISCCS type solar power cycle configurations. The key questions are when is the ISCCS configuration preferred over the SEGS power cycle configuration and how is the ISCCS plant designed to optimize the integration of the solar field and the power cycle. This paper reviews the results of a collaborative effort under the International Energy Agency SolarPACES organization to address these questions and it shows the potential environmental and economic benefits of each configuration. (C) 2003 Elsevier Ltd. All rights reserved. C1 DLR, German Aerosp Ctr, D-51170 Cologne, Germany. Natl Renewable Energy Lab, Golden, CO 80401 USA. Milenio Solar SA, E-04720 Aguadulce, Almeria, Spain. Nexant Inc, San Francisco, CA 94104 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. FLABEG Solar Int, D-50667 Cologne, Germany. RP Dersch, J (reprint author), DLR, German Aerosp Ctr, D-51170 Cologne, Germany. EM juergen.dersch@dlr.de OI Pitz-Paal, Robert/0000-0002-3542-3391 NR 7 TC 101 Z9 113 U1 4 U2 34 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD APR-MAY PY 2004 VL 29 IS 5-6 BP 947 EP 959 DI 10.1016/S0360-5442(03)00199-2 PG 13 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 804CZ UT WOS:000220278100029 ER PT J AU West, TO Marland, G King, AW Post, WM Jain, AK Andrasko, K AF West, TO Marland, G King, AW Post, WM Jain, AK Andrasko, K TI Carbon management response curves: Estimates of temporal soil carbon dynamics SO ENVIRONMENTAL MANAGEMENT LA English DT Article ID LAND-USE CHANGE; AGRICULTURAL SOILS; ORGANIC-CARBON; N2O EMISSIONS; SEQUESTRATION; CULTIVATION; CONVERSION; MITIGATION; ATMOSPHERE; TILLAGE AB Measurement of the change in soil carbon that accompanies a change in land use (e.g., forest to agriculture) or management (e.g., conventional tillage to no-till) can be complex and expensive, may require reference plots, and is subject to the variability of statistical sampling and short-term variability in weather. In this paper, we develop Carbon Management Response (CMR) curves that could be used as an alternative to in situ measurements. The CMR curves developed here are based on quantitative reviews of existing global analyses and field observations of changes in soil carbon. The curves show mean annual rates of soil carbon change, estimated time to maximum rates of change, and estimated time to a new soil carbon steady state following the initial change in management. We illustrate how CMR curves could be used in a carbon accounting framework while effectively addressing a number of potential policy issues commonly associated with carbon accounting. We find that CMR curves provide a transparent means to account for changes in soil carbon accumulation and loss rates over time, and also provide empirical relationships that might be used in the development or validation of ecological or Earth systems models. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. US EPA, Washington, DC 20460 USA. RP West, TO (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM westto@ornl.gov RI Post, Wilfred/B-8959-2012; West, Tristram/C-5699-2013; Jain, Atul/D-2851-2016 OI West, Tristram/0000-0001-7859-0125; Jain, Atul/0000-0002-4051-3228 NR 36 TC 52 Z9 54 U1 2 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0364-152X J9 ENVIRON MANAGE JI Environ. Manage. PD APR PY 2004 VL 33 IS 4 BP 507 EP 518 DI 10.1007/s00267-003-9108-3 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA 833AR UT WOS:000222309300009 PM 15453404 ER PT J AU Becker, JM McKinstry, CA AF Becker, JM McKinstry, CA TI Response of winter birds to soil remediation along the Columbia River at the Hanford Site SO ENVIRONMENTAL MONITORING AND ASSESSMENT LA English DT Article DE Columbia River; disturbance; Hanford Site; soil remediation; Washington State; winter; birds AB The Columbia River at the Hanford Site, located in south-central Washington State, U.S.A., is a regionally important refugium for overwintering birds. Some of the river shoreline has been designated by the U.S. Department of Energy for environmental clean-up following past production of materials for nuclear weapons. We evaluated the effects of soil remediation on winter birds at six inactive nuclear reactor areas. Remediation activities consisted of daily excavation and removal of approximately 1035 t of contaminated soil from previously herbicided and denuded areas located between 30 and 400 m and mostly in line-of-sight of the river shoreline. Remediation activities had no apparent effect on numbers of riverine or terrestrial birds using adjacent undisturbed shoreline and riparian habitat. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Becker, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM james.becker@pnl.gov NR 4 TC 0 Z9 0 U1 0 U2 3 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6369 J9 ENVIRON MONIT ASSESS JI Environ. Monit. Assess. PD APR-MAY PY 2004 VL 93 IS 1-3 BP 277 EP 286 DI 10.1023/B:EMAS.0000016801.38603.b3 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA 775UC UT WOS:000189078200015 PM 15074620 ER PT J AU Thorsen, WA Cope, WG Shea, D AF Thorsen, WA Cope, WG Shea, D TI Bioavailability of PAHs: Effects of soot carbon and PAH source SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; HYDROPHOBIC ORGANIC CONTAMINANTS; POLYCHLORINATED-BIPHENYLS; MYTILUS-EDULIS; IN-SITU; SEDIMENT; WATER; MUSSELS; BIOACCUMULATION; QUANTIFICATION AB The bioavailability of 38 individual polycyclic aromatic hydrocarbon (PAH) compounds was determined through calculation of biota-sediment-accumulation factors (BSAF). BSAF values were calculated from individual PAH concentrations in freshwater mussel, marine clam, and sediment obtained from field and laboratory bioaccumulation studies. Sediment that was amended with different types of soot carbon (SC) was used in some of the bioaccumulation experiments. BSAF values for petrogenic PAH were greater than those for pyrogenic PAH (e.g., 1.57 +/- 0.53 vs 0.25 +/- 0.23, respectively), indicating that petrogenic PAH are more bioavailable than pyrogenic PAH (p < 0.05). This trend was consistent among marine and freshwater sites. Increased SC content of sediment resulted in a linear decrease in the bioavailability of pyrogenic PAHs (r(2) = 0.85). The effect of increasing SIC content on petrogenic PAH was negligible. SC was considered as an additional sorptive phase when calculating BSAF values, and using PAH-SC partition coefficients from the literature, we obtained unreasonably large BSAF values for all petrogenic PAH and some pyrogenic PAH. This led us to conclude that a quantitative model to assess bioavailability through a combination of organic carbon and soot carbon sorption is not applicable among field sites with a wide range of soot carbon fractions and PAH sources, at least given our current knowledge of PAH-SC partitioning. Our data offer evidence that many factors including analysis of a full suite of PAH analytes, PAH hydrophobicity, sediment organic carbon content, sediment soot carbon content, and PAH source are important to adequately assess PAH bioavailability in the environment. C1 N Carolina State Univ, Dept Environm & Mol Toxicol, Raleigh, NC 27695 USA. RP Thorsen, WA (reprint author), Battelle PNNL, 1529 W Sequim Bay Rd, Sequim, WA 98382 USA. EM waverly.thorsen@pnl.gov FU NIEHS NIH HHS [ES 007046] NR 43 TC 85 Z9 99 U1 2 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2004 VL 38 IS 7 BP 2029 EP 2037 DI 10.1021/es0306056 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 808OG UT WOS:000220577800028 PM 15112803 ER PT J AU Beyenal, H Sani, RK Peyton, BM Dohnalkova, AC Amonette, JE Lewandowski, Z AF Beyenal, H Sani, RK Peyton, BM Dohnalkova, AC Amonette, JE Lewandowski, Z TI Uranium immobilization by sulfate-reducing biofilms SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID DESULFOVIBRIO-DESULFURICANS; U(VI) REDUCTION; BACTERIA; BIOREMEDIATION; CONTAMINATION; PRECIPITATION; MICROSENSOR; URANINITE; REMOVAL; H2S AB Hexavalent uranium [U(VI)] was immobilized using biofilms of the sulfate-reducing bacterium (SRB) Desulfovibrio desulfuricans G20. The biofilms were grown in flat-plate continuous-flow reactors using lactate as the electron donor and sulfate as the electron acceptor. U(VI) was continuously fed into the reactor for 32 weeks at a concentration of 126 muM. During this time, the soluble U(VI) was removed (between 88 and 96% of feed) from solution and immobilized in the biofilms. The dynamics of U immobilization in the sulfate-reducing biofilms were quantified by estimating: (1) microbial activity in the SRB biofilm, defined as the hydrogen sulfide (H2S) production rate and estimated from the H2S concentration profiles measured using microelectrodes across the biofilms; (2) concentration of dissolved U in the solution; and (3) the mass of U precipitated in the biofilm. Results suggest that U was immobilized in the biofilms as a result of two processes: (1) enzymatically and (2) chemically, by reacting with microbially generated H2S- Visual inspection showed that the dissolved sulfide species reacted with U(VI) to produce a black precipitate. Synchrotron-based U L-3-edge X-ray absorption near edge structure (XANES) spectroscopy analysis of U precipitated abiotically by sodium sulfide indicated that U(VI) had been reduced to U(IV). Selected-area electron diffraction pattern and crystallographic analysis of transmission electron microscope lattice-fringe images confirmed the structure of precipitated U as being that of uraninite. C1 Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. Montana State Univ, Dept Civil Engn, Bozeman, MT 59717 USA. Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. Washington State Univ, Ctr Multiphase Environm Res, Dept Chem Engn, Pullman, WA 99164 USA. RP Lewandowski, Z (reprint author), Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. EM ZL@erc.montana.edu RI Peyton, Brent/G-5247-2015 OI Peyton, Brent/0000-0003-0033-0651 NR 32 TC 65 Z9 69 U1 1 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2004 VL 38 IS 7 BP 2067 EP 2074 DI 10.1021/es0348703 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 808OG UT WOS:000220577800033 PM 15112808 ER PT J AU O'Donoghue, K Lomniczi, B McFerran, B Connor, TJ Seal, B King, D Banks, J Manvell, R White, PS Richmond, K Jackson, P Hugh-Jones, M AF O'Donoghue, K Lomniczi, B McFerran, B Connor, TJ Seal, B King, D Banks, J Manvell, R White, PS Richmond, K Jackson, P Hugh-Jones, M TI Retrospective characterization of Newcastle Disease Virus Antrim '73 in relation to other epidemics, past and present SO EPIDEMIOLOGY AND INFECTION LA English DT Article ID DOUBLE-CRESTED CORMORANTS; NUCLEOTIDE-SEQUENCE; RIBONUCLEIC-ACID; RECENT OUTBREAKS; WESTERN-EUROPE; GENOTYPE VII; STRAINS; PROTEIN; REGION; GENE AB In November 1973 Newcastle disease suddenly appeared in Northern Ireland, where the viscerotropic disease had not been seen in 3 1/2 years and the two Irelands had been regarded as largely disease free for 30 years. It was successfully controlled with only 36 confirmed affected layer flocks, plus 10 more slaughtered as 'dangerous contacts'. Contemporary investigations failed to reveal the source of the Irish epidemic. Using archival virus samples from most of the affected flocks, RT-PCR was conducted with primers selected for all six NDV genes.. Phylogenetic analyses of three genes, HN, M and F, confirmed vaccine as the cause of one of the outbreaks. The other six samples were identical and closely related to previous outbreaks in the United States and western Europe initiated by infected imported Latin American parrots. The probable cause of the epidemic followed from the importation from The Netherlands of bulk feed grains contaminated with infected pigeon faeces. C1 Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. Hungarian Vet Med Res Inst, H-1581 Budapest, Hungary. Dept Agr No Ireland, Belfast BT9 5PX, Antrim, North Ireland. USDA ARS, SE Poultry Res Lab, Athens, GA 30605 USA. Vet Lab Agcy, Surrey, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Louisiana State Univ, Sch Vet Med, Dept Pathobiol Sci, Baton Rouge, LA 70803 USA. RP O'Donoghue, K (reprint author), Univ Cambridge, Dept Biochem, Tennis Court Rd, Cambridge CB2 1QW, England. RI Banks, Jill /D-8848-2011; Manvell, Ruth/E-6500-2011 NR 43 TC 2 Z9 2 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4211 USA SN 0950-2688 J9 EPIDEMIOL INFECT JI Epidemiol. Infect. PD APR PY 2004 VL 132 IS 2 BP 357 EP 368 DI 10.1017/S0950268803001778 PG 12 WC Public, Environmental & Occupational Health; Infectious Diseases SC Public, Environmental & Occupational Health; Infectious Diseases GA 813RD UT WOS:000220923300024 PM 15061512 ER PT J AU Fallon, P AF Fallon, P TI Gamma-ray spectroscopy of nuclei with large deformations - Results from GAMMASPHERE SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID SUPERDEFORMED DY-152; EXCITED BANDS; DETECTORS; GRETA AB The large multidetector gamma-ray arrays (such as GAMMASPHERE, EUROBALL, and GASP) have played a central role in nuclear-structure studies during the past decade. In this paper I will discuss recent results from experiments on nuclei with very large deformations, including: the measurement of the spins, parities, and excitation energies of superdeformed bands in Dy-152; the observation of extreme deformations in Cd-108 and the evidence for hyper-intruder states; the study of superdeformed nuclei around A similar to 40, which provide an opportunity to test our microscopic understanding of collective excitations; and lifetimes of strongly deformed triaxial bands in Lu-163. I will conclude with a brief discussion on the next generation gamma-ray detector array, GRETA. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Fallon, P (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pfallon@lbl.gov NR 26 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 9 EP 14 DI 10.1140/epja/i2002-10312-5 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100004 ER PT J AU Lopez-Martens, A Dossing, T Khoo, TL Herskind, B Lauristen, T Matsuo, M Yoshida, K Korichi, A Hannachi, F Ahmad, I Amro, H de Angelis, G Bazzacco, D Beausang, C Bouchez, E Bringel, P Calderin, IJ Carpenter, MP Fischer, SM Hackman, G Hauschild, K Hubel, H Hurstel, A Janssens, RVF Kondev, FG Korten, W Kroll, T Le Coz, Y Marginean, N Menegazzo, R Mergel, E Napoli, D Nenoff, N Neumann, S Neusser, A Nisius, D Mukherjee, G Rejmund, M Rossbach, D Alvarez, CR Schuck, C Schonwasser, G Singh, AK Theisen, C Vieu, C Ur, C AF Lopez-Martens, A Dossing, T Khoo, TL Herskind, B Lauristen, T Matsuo, M Yoshida, K Korichi, A Hannachi, F Ahmad, I Amro, H de Angelis, G Bazzacco, D Beausang, C Bouchez, E Bringel, P Calderin, IJ Carpenter, MP Fischer, SM Hackman, G Hauschild, K Hubel, H Hurstel, A Janssens, RVF Kondev, FG Korten, W Kroll, T Le Coz, Y Marginean, N Menegazzo, R Mergel, E Napoli, D Nenoff, N Neumann, S Neusser, A Nisius, D Mukherjee, G Rejmund, M Rossbach, D Alvarez, CR Schuck, C Schonwasser, G Singh, AK Theisen, C Vieu, C Ur, C TI Gamma-ray feeding and decay of superdeformed states SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID ROTATIONAL BANDS; EU-143; ENERGY; PB-194; TRANSITIONS; QUADRUPOLE; CONTINUUM; HG-192; WIDTHS; CHAOS AB We report on four recent results concerning the population and the decay of superdeformed states, namely the structure, of excited superdeformed states in Hg-194, the search for fine structure of the last superdeformed transitions in Pb-194, the primary decay-out strength analysis in Hg-194 and, as a consequence of this, the possibility of using the decay-out as a tool to study order-to-chaos properties of normally deformed states. C1 Ctr Spectrometrie Nucl & Spectrometrie Masse, CNRS, IN2P3, F-91405 Orsay, France. Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Argonne Natl Lab, Argonne, IL 60439 USA. Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan. Nara Univ, Inst Nat Sci, Nara 6318502, Japan. Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35120 Legnaro, Italy. Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. CEA Orme Mersisiers, Dapnia SPhN, F-91191 Gif Sur Yvette, France. Univ Bonn, Helmhotz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. RP Lopez-Martens, A (reprint author), Ctr Spectrometrie Nucl & Spectrometrie Masse, CNRS, IN2P3, Bat 104-108, F-91405 Orsay, France. EM lopez@csnsm.in2p3.fr RI Hauschild, Karl/A-6726-2009; KORTEN, Wolfram/H-3043-2013; THEISEN, Christophe/A-9343-2015; Carpenter, Michael/E-4287-2015; Marginean, Nicolae Marius/C-4732-2011; Napoli, Daniel R./D-9863-2012; Menegazzo, Roberto/J-5853-2012; OI THEISEN, Christophe/0000-0002-8509-1022; Carpenter, Michael/0000-0002-3237-5734; Napoli, Daniel R./0000-0002-8154-6958; Menegazzo, Roberto/0000-0002-3060-5276; KORTEN, Wolfram/0000-0002-3940-0816 NR 31 TC 7 Z9 7 U1 0 U2 2 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 49 EP 53 DI 10.1140/epja/i2002-10321-4 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100013 ER PT J AU Wrzesinski, J Broda, R Fornal, B Krolas, W Pawlat, T Carpenter, MP Janssens, RVF Seweryniak, D Lunardi, S Ur, CA Viesti, G Cinausero, M Marginean, N Maier, KH AF Wrzesinski, J Broda, R Fornal, B Krolas, W Pawlat, T Carpenter, MP Janssens, RVF Seweryniak, D Lunardi, S Ur, CA Viesti, G Cinausero, M Marginean, N Maier, KH TI The pi h(11/2 nu i)(13/2)(-1)(-2) three-hole isomeric state and octupole core excitation in the Tl-205 nucleus SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY AB New high-spin states were identified in the (TI)-T-205 isotope produced in deep-inelastic heavy-ion reactions. The expected 29/2(+) yrast state and 35/2(-) isomeric state with 235 us half-life were located above the 2.6 mus isomer known from previous studies. Above this isomer a 7092 keV level was interpreted as a 41/2(+) state arising from the coupling of the octupole vibration of the Pb-208 core with the three-hole structure of the 35/2(-) isomer. C1 H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. RP Wrzesinski, J (reprint author), H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. EM Jacek.Wrzesinski@ifj.edu.pl RI Krolas, Wojciech/N-9391-2013; Cinausero, Marco/K-2752-2014; Carpenter, Michael/E-4287-2015; Marginean, Nicolae Marius/C-4732-2011 OI Carpenter, Michael/0000-0002-3237-5734; NR 3 TC 8 Z9 8 U1 0 U2 0 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 57 EP 58 DI 10.1140/epja/i2003-10194-y PG 2 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100015 ER PT J AU Greenlees, PT Andreyev, AN Bastin, J Becker, F Bouchez, E Butler, PA Cocks, JFC Le Coz, Y Eskola, K Gerl, J Hauschild, K Helariutta, K Herzberg, RD Hessberger, FP Humphreys, RD Hurstel, A Jenkins, DG Jones, GD Jones, P Julin, R Juutinen, S Kankaanpaa, H Keenan, A Kettunen, H Khoo, TL Korten, W Kuusiniemi, P Leino, M Leppanen, AP Muikku, M Nieminen, P Page, RD Page, T Pakarinen, J Rahkila, P Reiter, P Schlegel, C Scholey, C Theisen, C Uusitalo, J Van de Vel, K Wadsworth, R Wollersheim, HJ AF Greenlees, PT Andreyev, AN Bastin, J Becker, F Bouchez, E Butler, PA Cocks, JFC Le Coz, Y Eskola, K Gerl, J Hauschild, K Helariutta, K Herzberg, RD Hessberger, FP Humphreys, RD Hurstel, A Jenkins, DG Jones, GD Jones, P Julin, R Juutinen, S Kankaanpaa, H Keenan, A Kettunen, H Khoo, TL Korten, W Kuusiniemi, P Leino, M Leppanen, AP Muikku, M Nieminen, P Page, RD Page, T Pakarinen, J Rahkila, P Reiter, P Schlegel, C Scholey, C Theisen, C Uusitalo, J Van de Vel, K Wadsworth, R Wollersheim, HJ TI In-beam spectroscopy at the RITU gas-filled recoil separator SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID GAMMA-RAY SPECTROSCOPY; EXCITED-STATES; SHAPE COEXISTENCE; 1ST OBSERVATION; ELEMENTS; DECAY; ISOTOPES; PO-192; NUCLEI; NO-254 AB In recent years (1996-2001) the recoil-decay. tagging technique has been employed with great success at the Department of Physics of the University of Jyvaskyla. Various arrays of germanium detectors have been coupled to the RITU gas-filled separator in order to study nuclei far from stability. An overview of the physics studied with these arrays, along with discussion of technical development of the RITU separator, is presented. Even with a comparatively modest array of germanium detectors it has been possible to study nuclei produced with cross-sections as low as 200 nb. C1 Univ Jyvaskyla, Dept Phys, SF-40351 Jyvaskyla, Finland. Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England. CEA Saclay, SPhN, DAPNIA, F-91191 Gif Sur Yvette, France. Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland. Gesell Schwerionenforsch mbH, Darmstadt, Germany. Argonne Natl Lab, Argonne, IL 60439 USA. Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Louvain, Belgium. Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. RP Greenlees, PT (reprint author), Univ Jyvaskyla, Dept Phys, SF-40351 Jyvaskyla, Finland. EM ptg@phys.jyu.fi RI Gerl, Juergen/A-3255-2011; Hauschild, Karl/A-6726-2009; Pakarinen, Janne/F-6695-2010; Herzberg, Rolf-Dietmar/E-1558-2011; KORTEN, Wolfram/H-3043-2013; Scholey, Catherine/G-2720-2014; THEISEN, Christophe/A-9343-2015; OI Pakarinen, Janne/0000-0001-8944-8757; Scholey, Catherine/0000-0002-8743-6071; THEISEN, Christophe/0000-0002-8509-1022; KORTEN, Wolfram/0000-0002-3940-0816; Butler, Peter/0000-0001-6080-9205 NR 33 TC 7 Z9 7 U1 0 U2 3 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 87 EP 92 DI 10.1140/epja/i2002-10327-x PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100022 ER PT J AU Georgiev, G Neyens, G Hass, M Balabanski, DL Bingham, C Borcea, C Coulier, N Coussement, R Daugas, JM de France, G Gorska, M Grawe, H Grzywacz, R Lewitowicz, M Mach, H Matea, I Santos, FD Page, RD Pfutzner, M Penionzhkevich, YE Podolyak, Z Regan, PH Rykaczewski, K Sawicka, M Smirnova, NA Sobolev, Y Stanoiu, M Teughels, S Vyvey, K AF Georgiev, G Neyens, G Hass, M Balabanski, DL Bingham, C Borcea, C Coulier, N Coussement, R Daugas, JM de France, G Gorska, M Grawe, H Grzywacz, R Lewitowicz, M Mach, H Matea, I Santos, FD Page, RD Pfutzner, M Penionzhkevich, YE Podolyak, Z Regan, PH Rykaczewski, K Sawicka, M Smirnova, NA Sobolev, Y Stanoiu, M Teughels, S Vyvey, K TI G-factors of isomeric states in the neutron-rich nuclei SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID FRAGMENTATION; ALIGNMENT AB We report the results from the first experiment to measure gyromagnetic factors of mus isomers in neutron-rich nuclei produced by intermediate-energy projectile-fragmentation reactions. The Time Dependent Perturbed Angular Distribution (TDPAD) method was applied in combination with the heavy-ion-gamma correlation technique. The nuclides in the vicinity of (68)Ni were produced and spin-oriented following the fragmentation of a (76)Ce, 61.4 MeV/u beam at GANIL. The results obtained, \g\ ((69m)CU) = 0.225(25) and \g\ ((67m)Ni) = 0.125(6) provide another indication of the importance of proton excitation across the Z = 28 shell gap for the description of these states. C1 GANIL, F-14076 Caen 5, France. Univ Louvain, IKS, B-3001 Louvain, Belgium. Weizmann Inst Sci, Fac Phys, IL-76100 Rehovot, Israel. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. St Kliment Ohridski Univ Sofia, Fac Phys, BG-1164 Sofia, Bulgaria. IFIN, Bucharest 76900, Romania. Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. Univ Warsaw, Inst Expt Phys, PL-00681 Warsaw, Poland. Uppsala Univ, ISV, Dept Radiat Sci, S-61182 Nykoping, Sweden. Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. Joint Inst Nucl Res, FLNR, Dept Phys, Dubna 141980, Moscow Region, Russia. Univ Surrey, Dept Phys, Guildford GU2 5XH, Surrey, England. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. RP Georgiev, G (reprint author), GANIL, BP 55027, F-14076 Caen 5, France. EM georgiev@ganil.fr RI Georgiev, Georgi/C-5110-2008 OI Georgiev, Georgi/0000-0003-1467-1764 NR 10 TC 3 Z9 3 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 93 EP 94 DI 10.1140/epja/i2002-10328-9 PG 2 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100023 ER PT J AU Sawicka, M Pfutzner, M Grzywacz, R Daugas, JM Matea, I Lewitowicz, M Grawe, H Becker, F Belier, G Bingham, C Borcea, R Bouchez, E Buta, A Dragulescu, E Sauvestre, JE Georgiev, G Giovinazzo, J Hammache, F Ibrahim, F Mayet, P Meot, V Negoita, F Santos, FD Perru, O Roig, O Rykaczewski, KP Saint-Laurent, MG Sorlin, O Stanoiu, M Stefan, I Stodel, C Theisen, C Verney, D AF Sawicka, M Pfutzner, M Grzywacz, R Daugas, JM Matea, I Lewitowicz, M Grawe, H Becker, F Belier, G Bingham, C Borcea, R Bouchez, E Buta, A Dragulescu, E Sauvestre, JE Georgiev, G Giovinazzo, J Hammache, F Ibrahim, F Mayet, P Meot, V Negoita, F Santos, FD Perru, O Roig, O Rykaczewski, KP Saint-Laurent, MG Sorlin, O Stanoiu, M Stefan, I Stodel, C Theisen, C Verney, D TI Evidence for an isomer in Ni-76 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID MU-S-ISOMERS; IDENTIFICATION AB In the experiment performed at the LISE2000 spectrometer at GANIL neutron-rich nickel isotopes were studied by microsecond isomer spectroscopy. Evidence for an isomer in Ni-76 is found, consistently with the shelf model prediction of an 8(+) state of nu(gg/2)(2) structure. C1 Univ Warsaw, Inst Expt Phys, PL-00681 Warsaw, Poland. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. CEA Bruyeres le Chatel, DIF, DPTA, SPN, F-91680 Bruyeres Le Chatel, France. GANIL, F-14021 Caen, France. GSI Darmstadt, D-64291 Darmstadt, Germany. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Inst Phys Nucl, F-91406 Orsay, France. CEA Saclay, DSM, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. IFIN HH, Bucharest 76900, Romania. CEN Bordeaux Gradignan, F-33175 Gradignan, France. RP Sawicka, M (reprint author), Univ Warsaw, Inst Expt Phys, Hoza 69, PL-00681 Warsaw, Poland. EM sawicka@zsjlin.igf.fuw.edu.pl; pfutzner@mimuw.edu.pl RI Georgiev, Georgi/C-5110-2008; sauvestre, jean-etienne/C-8819-2009; THEISEN, Christophe/A-9343-2015; Hammache, Fairouz/K-6132-2016 OI Georgiev, Georgi/0000-0003-1467-1764; THEISEN, Christophe/0000-0002-8509-1022; NR 5 TC 18 Z9 18 U1 0 U2 3 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 109 EP 110 DI 10.1140/epja/i2002-10333-0 PG 2 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100028 ER PT J AU Kelsall, NS Svensson, CE Fischer, S Appelbe, DE Austin, RAE Balamuth, DP Ball, GC Cameron, JA Carpenter, MP Clark, RM Cromaz, M Deleplanque, MA Diamond, RM Fallon, P Hodgson, DF Janssens, RFV Jenkins, DG Lane, GJ Lister, CJ Macchiavelli, AO O'Leary, CD Sarantities, DG Stephens, FS Schmidt, DC Seweryniak, D Vetter, K Waddington, JC Wadsworth, R Ward, D Wilson, AN Afanasjev, AV Frauendorf, S Ragnarsson, I AF Kelsall, NS Svensson, CE Fischer, S Appelbe, DE Austin, RAE Balamuth, DP Ball, GC Cameron, JA Carpenter, MP Clark, RM Cromaz, M Deleplanque, MA Diamond, RM Fallon, P Hodgson, DF Janssens, RFV Jenkins, DG Lane, GJ Lister, CJ Macchiavelli, AO O'Leary, CD Sarantities, DG Stephens, FS Schmidt, DC Seweryniak, D Vetter, K Waddington, JC Wadsworth, R Ward, D Wilson, AN Afanasjev, AV Frauendorf, S Ragnarsson, I TI High-spin structure of N similar or equal to Z nuclei around the A=72 region SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT International Conference on Nuclear Structure with Large Gamma-Arrays CY SEP 23-27, 2002 CL Legnaro, ITALY ID BANDS AB High-spin states have been studied in Kr-72 and Br-72 using the Ca-40 + Ca-40 and Ar-36 + Ca-40 reactions at 164 and 145 MeV, respectively. The properties and configurations of the high-spin bands observed have been interpreted using impaired cranked Nilssou-Strutinsky (CNS), and for Kr-72, paired cranked relativistic Hartree-Bogoliubov (CRHB) calculations. In Kr-72 a new band has been identified that has the properties expected for the doubly aligned S-band configuration. In Br-72 the previously known bands have been extended to higher spin. This has lead to a re-interpretation of the configurations. C1 Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. De Paul Univ, Dept Phys, Chicago, IL 60614 USA. CLRC Daresbury Lab, Warrington WA4 4AD, Cheshire, England. McMaster Univ, Dept Phys, Hamilton, ON, Canada. Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. TRIUMF Lab, Vancouver, BC VT 2AS, Canada. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. Latvian State Univ, Inst Solid State Phys, Lab Radiat Phys, LV-2169 Salaspils, Latvia. Lund Inst Technol, Dept Math Phys, S-22100 Lund, Sweden. RP Kelsall, NS (reprint author), Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. EM rw10@york.ac.uk RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 NR 8 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2004 VL 20 IS 1 BP 131 EP 132 DI 10.1140/epja/i2002-10338-7 PG 2 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 820OV UT WOS:000221400100034 ER PT J AU Prime, MB Sebring, RJ Edwards, JM Hughes, DJ Webster, PJ AF Prime, MB Sebring, RJ Edwards, JM Hughes, DJ Webster, PJ TI Laser surface-contouring and spline data-smoothing for residual stress measurement SO EXPERIMENTAL MECHANICS LA English DT Article DE residual stresses; contour method; coordinate measuring machine; wire EDM; TIG weld; model error ID STEEL WELDS; INTERFEROMETRY; HOLE; PREDICTION; SHADOW AB We describe non-contact scanning with a confocal laser probe to measure surface contours for application to residual stress measurement. (In the recently introduced contour method, a part is cut in two with a flat cut, and the part deforms by relaxation of the residual stresses. A cross-sectional map of residual stresses is then determined from measurement of the contours of the cut surfaces.) The contour method using laser scanning is validated by comparing measurements on a ferritic steel (BS 4360 grade 50D) weldment with neutron diffraction measurements on an identical specimen. Compared to lower resolution touch probe techniques, laser surface-contouring allows more accurate measurement of residual stresses and/or measurement of smaller parts or parts with lower stress levels. Furthermore, to take full advantage of improved spatial resolution of the laser measurements, a method to smooth the surface contour data using bi-variate splines is developed. In contrast to previous methods, the spline method objectively selects the amount of smoothing and estimates the uncertainties in the calculated residual stress map. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. ILL, ESRF, F-38042 Grenoble, France. Univ Salford, Sch Aeronaut Civil & Mech Engn, Mat Res Inst, Salford M5 4WT, Lancs, England. EM prime@lanl.gov OI Prime, Michael/0000-0002-4098-5620 NR 28 TC 88 Z9 90 U1 1 U2 13 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD APR PY 2004 VL 44 IS 2 BP 176 EP 184 DI 10.1177/00144851039762 PG 9 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 807VZ UT WOS:000220530300008 ER PT J AU Germaine, K Keogh, E Garcia-Cabellos, G Borremans, B van der Lelie, D Barac, T Oeyen, L Vangronsveld, J Moore, FP Moore, ERB Campbell, CD Ryan, D Dowling, DN AF Germaine, K Keogh, E Garcia-Cabellos, G Borremans, B van der Lelie, D Barac, T Oeyen, L Vangronsveld, J Moore, FP Moore, ERB Campbell, CD Ryan, D Dowling, DN TI Colonisation of poplar trees by gfp expressing bacterial endophytes SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE endophytes; Pseudomonas; colonisation; gfp; poplar trees; rhizosphere; phytoremediation ID GREEN FLUORESCENT PROTEIN; ANTIBIOTIC-RESISTANCE; NITROGEN-FIXATION; GENE-EXPRESSION; PLANTS; ROOTS; RHIZOSPHERE; VISUALIZE; SELECTION; SYMBIOSIS AB With the exception of nitrogen fixing bacteria, there is little known about the colonisation patterns or population sizes of bacterial endophytes in deciduous trees. This study describes the isolation, identification, construction. and re-colonisation patterns of three green fluorescent protein(gfp):kanamycin(R) labelled bacterial endophytes when re-introduced into poplar trees, their original host plant. Two of these endophytes showed considerable colonisation in the roots and stems of inoculated plants. gfp expressing cells of all three strains were observed to colonise the xylem tissue of the root. All three strains proved to be efficient rhizosphere colonisers, supporting the theory that the rhizosphere can serve as a source of bacterial endophytes. (C) 2004 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved. C1 Inst Technol, Dept Appl Biol & Chem, Carlow, Ireland. Vlaamse Instelling Technol Onderzoek, Mol, Belgium. Brookhaven Natl Lab, Upton, NY 11973 USA. Limburgs Univ Ctr, Diepenbeek, Belgium. Macaulay Inst, Aberdeen, Scotland. RP Dowling, DN (reprint author), Inst Technol, Dept Appl Biol & Chem, Carlow Kilkenny Rd, Carlow, Ireland. EM david.dowling@itcarlow.ie RI Campbell, Colin/B-3944-2010; dowling, david/A-6249-2010 OI Campbell, Colin/0000-0002-5163-7656; dowling, david/0000-0001-6952-5495 NR 44 TC 83 Z9 92 U1 2 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD APR 1 PY 2004 VL 48 IS 1 BP 109 EP 118 DI 10.1016/j.femsec.2003.12.009 PG 10 WC Microbiology SC Microbiology GA 811LM UT WOS:000220773400011 PM 19712436 ER PT J AU Sloter, E Nath, J Eskenazi, B Wyrobek, AJ AF Sloter, E Nath, J Eskenazi, B Wyrobek, AJ TI Effects of male age on the frequencies of germinal and heritable chromosomal abnormalities in humans and rodents SO FERTILITY AND STERILITY LA English DT Review DE Paternal age; human; rodent; chromosomal abnormalities; structural aberrations; aneuploidy; sperm FISH; review ID IN-SITU HYBRIDIZATION; HUMAN-SPERM CHROMOSOMES; MATERNAL RISK-FACTORS; DNA MISMATCH REPAIR; LIFE-STYLE FACTORS; NEW-YORK-STATE; PATERNAL-AGE; DOWN-SYNDROME; PARENTAL AGE; HUMAN SPERMATOZOA AB Objective: To review evidence regarding the effects of male age on germinal and heritable chromosomal abnormalities using available human and rodent studies and to evaluate possible underlying mechanisms. Design: Review of English language-published research using MEDLINE database, excluding case reports and anecdotal data. Result(s): There was little evidence from offspring or germ cell studies for a generalized male age effect on autosomal aneuploidy, except in rodents. Sex chromosomal nondisjunction increased with age in both human and rodent male germ cells. Both human and rodent data showed age-related increases in the number of sperm with chromosomal breaks and fragments and suggest that postmeiotic cells are particularly vulnerable to the effects of aging. Translocation frequencies increased with age in murine spermatocytes, at rates comparable to mouse and human somatic cells. Age-related mechanisms of induction may include accumulation of environmental damage, reduced efficiency of DNA repair, increased genomic instability, genetic factors, hormonal influences, suppressed apoptosis, or decreased effectiveness of antioxidants and micronutrients. Conclusion(s): The weight of evidence suggests that the increasing trend toward fathering at older ages may have significant effects on the viability and genetic health of human pregnancies and offspring, primarily as a result of structural chromosomal aberrations in sperm. (C) 2004 by American Society for Reproductive Medicine. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. RP Wyrobek, AJ (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, POB 808,L-448, Livermore, CA 94550 USA. EM wyrobek1@llnl.gov FU NIEHS NIH HHS [5P42ES0470511] NR 157 TC 75 Z9 80 U1 2 U2 8 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0015-0282 J9 FERTIL STERIL JI Fertil. Steril. PD APR PY 2004 VL 81 IS 4 BP 925 EP 943 DI 10.1016/j.fertnstert.2003.07.043 PG 19 WC Obstetrics & Gynecology; Reproductive Biology SC Obstetrics & Gynecology; Reproductive Biology GA 811LR UT WOS:000220773900001 PM 15066442 ER PT J AU Cupid, BC Lightfoot, TJ Russell, D Gant, SJ Turner, PC Dingley, KH Curtis, KD Leveson, SH Turteltaub, KW Garner, RC AF Cupid, BC Lightfoot, TJ Russell, D Gant, SJ Turner, PC Dingley, KH Curtis, KD Leveson, SH Turteltaub, KW Garner, RC TI The formation of AFB(1)-macromolecular adducts in rats and humans at dietary levels of exposure SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Article DE aflatoxin; adducts; accelerator mass spectroscopy; low dose; risk assessment ID ACCELERATOR MASS-SPECTROMETRY; AFLATOXIN-ALBUMIN ADDUCTS; DOSE-RESPONSE; MACROMOLECULAR BINDING; DNA ADDUCTS; LIVER DNA; COLON; IDENTIFICATION; CARCINOGENS; B1-DNA AB The levels of aflatoxin B-1-DNA and aflatoxin B-1-albumin adducts were investigated by accelerator mass spectrometry (AMS) in humans and rats following exposure to a known, dietary relevant amount of carbon-14 labeled aflatoxin B-1 ([C-14]AFB(1)). The aims of the study were to: (a) investigate the dose-dependent formation of DNA and protein adducts at very low doses of AFB(1) (0.16 ng/kg-12.3 mug/kg) in the rat; (b) measure the levels of AFB(1)-albumin and AFB(1)-DNA adducts at known, relevant exposures in humans (c) study rat to human extrapolations of AFB(1)-albumin and DNA adduct levels. The results in the rat showed that both AFB(1)-albumin adduct and AFB(1)-DNA adduct formation were linear over this wide dose range. The order of adduct formation within the tissues studied was liver>kidney>colon>lung= spleen. Consenting volunteers received I mug (similar to15 ng/kg) of [C-14]AFB(1) in a capsule approximately similar to3.5-7 h prior to undergoing colon surgery. The mean level of human AFB(1)-albumin adducts was 38.8 +/- 19.55 pg [C-14]AFB(1)/mg albumin/mug AFB(1)/kg body weight (b.w.), which was not statistically different to the equivalent dose in the rat (15 ng/kg) 42.29 +/- 7.13 pg [C-14]AFB(1)/mg albumin/mug AFB(1)/kg b.w. There was evidence to suggest the formation of AFB(1)-DNA adducts in the human colon at very low doses. Comparison of the linear regressions of hepatic AFB(1)-DNA adduct and AFB(1)-albumin adduct levels in rat found them to be statistically similar suggesting that the level of AFB(1)-albumin adducts are useful biomarkers for AFB(1) dosimetry and may reflect the DNA adduct levels in the target tissue. [C-14]AFB(1)-DNA and [C-14]AFB(1)-albumin adducts were hydrolysed and analysed by HPLC to confirm that the [C-14] measured by AMS was derived from the expected [C-14]AFB(1) adducts. (C) 2003 Elsevier Ltd. All rights reserved. C1 Univ York, Dept Biol, Jack Birch Unit Environm Carcinogenesis, York Y010 5DD, N Yorkshire, England. Univ Leeds, Mol Epidemiol Unit, Leeds LS2 9JT, W Yorkshire, England. Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spect, Livermore, CA 94550 USA. York Dist Gen Hosp, York YO3 7HL, N Yorkshire, England. RP Garner, RC (reprint author), Xceleron Ltd, York Bioctr, Innovat Way, York YO10 5NY, N Yorkshire, England. EM colin.garner@xceleron.co.uk RI Turner, Paul/A-6152-2011; Turner, Paul/B-8131-2013 FU NCI NIH HHS [CA 55861]; NCRR NIH HHS [RR 13461] NR 40 TC 34 Z9 35 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD APR PY 2004 VL 42 IS 4 BP 559 EP 569 DI 10.1016/j.fct.2003.10.015 PG 11 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA 806FS UT WOS:000220420400003 PM 15019179 ER PT J AU Alfred, M Kwizera, P Lindesay, JV Noyes, HP AF Alfred, M Kwizera, P Lindesay, JV Noyes, HP TI A nonperturbative, finite particle number approach to relativistic scattering theory SO FOUNDATIONS OF PHYSICS LA English DT Article DE relativistic scattering theory; nonperturbative; renormalization ID LIGHT-FRONT DYNAMICS; POINCARE-INVARIANT; INTEGRAL EQUATIONS; ANGULAR-MOMENTUM; SELF-CONSISTENT; 3-PARTICLE; SPIN; DEUTERON; SYSTEMS; STATES AB We present integral equations for the scattering amplitudes of three scalar particles, using the Faddeev channel decomposition, which can be readily extended to any finite number of particles of any helicity. The solution of these equations, which have been demonstrated to be calculable, provide a nonperturbative way of obtaining relativistic scattering amplitudes for any finite number of particles that are Lorentz invariant, unitary, cluster decomposable and reduce unambiguously in the nonrelativistic limit to the nonrelativistic Faddeev equations. The aim of this program is to develop equations which explicitly depend upon physically observable input variables, and do not require "renormalization" or "dressing" of these parameters to connect them to the boundary states. As a unitary, cluster decomposible, multichannel theory, physical systems whose constituents are confined can be readily described. C1 Howard Univ, Computat Phys Lab, Washington, DC 20059 USA. Makerere Univ, Dept Phys, Kampala, Uganda. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Alfred, M (reprint author), Howard Univ, Computat Phys Lab, Washington, DC 20059 USA. EM maralfred@howard.edu NR 35 TC 4 Z9 4 U1 0 U2 0 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0015-9018 J9 FOUND PHYS JI Found. Phys. PD APR PY 2004 VL 34 IS 4 BP 581 EP 616 DI 10.1023/B:FOOP.0000019627.19038.50 PG 36 WC Physics, Multidisciplinary SC Physics GA 802NJ UT WOS:000220169900002 ER PT J AU West, GB Brown, JH Enquist, BJ AF West, GB Brown, JH Enquist, BJ TI Growth models based on first principles or phenomenology? SO FUNCTIONAL ECOLOGY LA English DT Article DE allometry; energy allocation; growth model; postnatal development ID ONTOGENIC GROWTH; METABOLIC-RATE; GENERAL-MODEL; BODY-SIZE; RATES; UNIVERSALITY; TEMPERATURE; ADAPTATION; LIFE; TIME AB 1. Most models of growth are simply mathematical descriptions of growth trajectories. They are evaluated empirically based on goodness of statistical fit. 2. Recently we (West et al. 2001) presented a theory of growth based on first principles of energy conservation and allocation. The critical parameters are defined precisely and operationally in terms of measurable fundamental parameters not directly connected to growth, so the mechanistic basis of the model can be evaluated by testing both the assumptions and the predictions. To the extent that available data permit such evaluation, they generally support the model for many classes of organisms including mammals, birds, fish and crustacea. 3. Our model provides a basis for understanding the general and fundamental features governing ontogenetic growth. It is intended to explain the major patterns in terms of first principles of energy allocation to production (of new cells) and maintenance (of existing cells) that are applicable to all organisms. While the model is not intended to account for all of the observed variation in growth rates and life histories it does provide a baseline for developing more detailed treatments of ontogenetic growth. 4. Ricklefs (2003) has criticized the conceptual foundation of our theory as it applies to birds and asserts that it cannot account for many of their growth and life-history attributes. 5. He correctly points to similarities in mathematical form and statistical fit between our growth model and that of von Bertalanffy 1938, but fails to point out the fundamental conceptual differences between the two models. 6. With respect to birds, our model suggests a new hypothesis based on water balance, for the difference in growth allometry between altricial and precocial species. In particular we show that ours is the only model discussed by Ricklefs that correctly predicts the absolute value and scaling characteristics of the total energy metabolized by altricial birds from hatching to fledging. 7. In contrast, Ricklefs's models are of limited utility since they are primarily designed for birds, and are based on qualitative concepts such as 'growth potential' and 'functionality' of tissues and therefore do not readily lead to quantitative predictions. 8. Our model does not imply that mature or asymptotic size is determined simply by resource supply. It allows for a mature body size that is set by natural selection and that results in a balance of energy allocation between production of new biomass and maintenance of existing biomass. C1 Santa Fe Inst, Santa Fe, NM 87501 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. Univ Arizona, Dept Ecol & Evolut Biol, Tucson, AZ 85721 USA. RP Santa Fe Inst, 1399 Hyde Pk Rd, Santa Fe, NM 87501 USA. EM gbw@santafe.edu OI Enquist, Brian/0000-0002-6124-7096 NR 37 TC 36 Z9 37 U1 0 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0269-8463 EI 1365-2435 J9 FUNCT ECOL JI Funct. Ecol. PD APR PY 2004 VL 18 IS 2 BP 188 EP 196 DI 10.1111/j.0269-8463.2004.00857.x PG 9 WC Ecology SC Environmental Sciences & Ecology GA 809GQ UT WOS:000220625600004 ER PT J AU Savage, VM Gillooly, JF Woodruff, WH West, GB Allen, AP Enquist, BJ Brown, JH AF Savage, VM Gillooly, JF Woodruff, WH West, GB Allen, AP Enquist, BJ Brown, JH TI The predominance of quarter-power scaling in biology SO FUNCTIONAL ECOLOGY LA English DT Editorial Material DE body size; metabolic rates; physiological times; quarter-power scaling ID BASAL METABOLIC-RATE; MAXIMAL OXYGEN-CONSUMPTION; TREE-DOMINATED COMMUNITIES; ENERGY-METABOLISM; GENERAL-MODEL; BODY-SIZE; SMALL MAMMALS; STATISTICAL ARTIFACT; POPULATION-DENSITY; MASS AB 1. Recent studies have resurrected the debate over the value for the allometric scaling exponent that relates whole-organism metabolic rate to body size. Is it (3)/(4) or (2)/(3)? This question has been raised before and resolved in favour of (3)/(4). Like previous ones, recent claims for a value of (2)/(3) are based almost entirely on basal metabolic rate (BMR) in mammals. 2. Here we compile and analyse a new, larger data set for mammalian BMR. We show that interspecific variation in BMR, as well as field metabolic rates of mammals, and basal or standard metabolic rates for many other organisms, including vertebrates, invertebrates, protists and plants, all scale with exponents whose confidence intervals include (3)/(4) and exclude (2)/(3). Our analysis of maximal metabolic rate gives a slope that is greater than and confidence intervals that exclude both (3)/(4) and (2)/(3). 3. Additionally, numerous other physiological rates that are closely tied to metabolism in a wide variety of organisms, including heart and respiratory rates in mammals, scale as M-1/4. 4. The fact that quarter-power allometric scaling is so pervasive in biology suggests that different allometric relations have a common, mechanistic origin and provides an empirical basis for theoretical models that derive these scaling exponents. C1 Santa Fe Inst, Santa Fe, NM 87501 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. Univ Arizona, Dept Ecol & Evolut Biol, Tucson, AZ 85721 USA. RP Santa Fe Inst, 1399 Hyde Pk Rd, Santa Fe, NM 87501 USA. EM van@santafe.edu RI Allen, Andrew/B-8045-2011; OI Allen, Andrew/0000-0003-0304-7544; Enquist, Brian/0000-0002-6124-7096 NR 78 TC 349 Z9 363 U1 11 U2 101 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0269-8463 EI 1365-2435 J9 FUNCT ECOL JI Funct. Ecol. PD APR PY 2004 VL 18 IS 2 BP 257 EP 282 DI 10.1111/j.0269-8463.2004.00856.x PG 26 WC Ecology SC Environmental Sciences & Ecology GA 809GQ UT WOS:000220625600012 ER PT J AU Dongarra, J Madsen, K Wasniewski, J AF Dongarra, J Madsen, K Wasniewski, J TI Selected numerical algorithms SO FUTURE GENERATION COMPUTER SYSTEMS LA English DT Editorial Material C1 Tech Univ Denmark, DK-2800 Lyngby, Denmark. Univ Tennessee, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Knoxville, TN USA. RP Wasniewski, J (reprint author), Tech Univ Denmark, DK-2800 Lyngby, Denmark. EM jw@imm.dtu.dk NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD APR PY 2004 VL 20 IS 3 BP 349 EP 351 DI 10.1016/j.future.2003.07.001 PG 3 WC Computer Science, Theory & Methods SC Computer Science GA 810EQ UT WOS:000220688000001 ER PT J AU Bhowmick, B Raghavan, P McInnes, L Norris, B AF Bhowmick, B Raghavan, P McInnes, L Norris, B TI Faster PDE-based simulations using robust composite linear solvers SO FUTURE GENERATION COMPUTER SYSTEMS LA English DT Article; Proceedings Paper CT International Conference on Computational Science (ICCS 2002) CY APR 21-24, 2002 CL AMSTERDAM, NETHERLANDS DE large-scale PDE-based simulations; composite methods; multi-algorithms; sparse linear solution; Newton-Krylov methods ID SYSTEMS AB Many large-scale scientific simulations require the solution of nonlinear partial differential equations (PDEs). The effective solution of such nonlinear PDEs depends to a large extent on efficient and robust sparse linear system solution. In this paper, we show how fast and reliable sparse linear solvers can be composed from several underlying linear solution methods. We present a combinatorial framework for developing optimal composite solvers using metrics such as the execution times and failure rates of base solution schemes. We demonstrate how such composites can be easily instantiated using advanced software environments. Our experiments indicate that overall simulation time can be reduced through highly reliable linear system solution using composite solvers. (C) 2003 Elsevier B.V. All rights reserved. C1 Penn State Univ, Dept Comp Sci & Engn, University Pk, PA 16802 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Raghavan, P (reprint author), Penn State Univ, Dept Comp Sci & Engn, 220 Pond Lab, University Pk, PA 16802 USA. EM bhowmick@cse.psu.edu; raghavan@cse.psu.edu; mcinnes@mcs.anl.gov; norris@mcs.anl.gov NR 19 TC 5 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD APR PY 2004 VL 20 IS 3 BP 373 EP 387 DI 10.1016/j.future.2003.07.012 PG 15 WC Computer Science, Theory & Methods SC Computer Science GA 810EQ UT WOS:000220688000004 ER PT J AU Cooper, GM Brudno, M Stone, EA Dubchak, I Batzoglou, S Sidow, A AF Cooper, GM Brudno, M Stone, EA Dubchak, I Batzoglou, S Sidow, A TI Characterization of evolutionary rates and constraints in three mammalian genomes SO GENOME RESEARCH LA English DT Article ID MAXIMUM-LIKELIHOOD; DNA-SEQUENCES; REGIONS; SUBSTITUTION; EQUILIBRIUM; MUTATION; MODEL; TOOLS; SIZE AB We present an analysis of rates and patterns of microevolutionary phenomena that have shaped the human, mouse, and rat genomes since their last common ancestor. We find evidence for a shift ill the mutational spectrum between the mouse and rat lineages, with the net effect being a relative increase ill GC content in the rat genome. Off estimate for the neutral point substitution rate separating the two rodents is 0.196 substitutions per site, and 0.65 substitutions per site for the tree relating all three mammals. Small insertions and deletions of 1-10 bp in length ("microindels") occur at similar to5% of the point substitution rate. Inferred regional correlations in evolutionary rates between lineages and between types of sites support the idea that rates of evolution are influenced by local genomic or cell biological context. No substantial correlations between rates of point substitutions and rates of microindels are found, however, implying that the influences that affect these processes are distinct. Finally, we have identified those regions in the human genome that are evolving slowly, which are likely to include functional elements important to human biology. At least 5% of the human genome is Under substantial constraint, most of which is noncoding. C1 Stanford Univ, Dept Genet, Stanford, CA 94305 USA. Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. Stanford Univ, Dept Stat, Stanford, CA 94305 USA. Stanford Univ, Dept Pathol, Stanford, CA 94305 USA. Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. RP Sidow, A (reprint author), Stanford Univ, Dept Genet, Stanford, CA 94305 USA. EM arend@stanford.edu RI Cooper, Gregory/D-6914-2011; Stone, Eric/Q-7840-2016 OI Cooper, Gregory/0000-0001-5509-9923; NR 29 TC 102 Z9 103 U1 1 U2 3 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD APR PY 2004 VL 14 IS 4 BP 539 EP 548 DI 10.1101/gr.2034704 PG 10 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 809IH UT WOS:000220629900005 PM 15059994 ER PT J AU Brudno, M Poliakov, A Salamov, A Cooper, GM Sidow, A Rubin, EM Solovyev, V Batzoglou, S Dubchak, I AF Brudno, M Poliakov, A Salamov, A Cooper, GM Sidow, A Rubin, EM Solovyev, V Batzoglou, S Dubchak, I TI Automated whole-genome multiple alignment of rat, mouse, and human SO GENOME RESEARCH LA English DT Article ID SEQUENCE ALIGNMENT; FUNCTIONAL REGIONS; CHOICE; SEARCH; TOOLS; BLAST; DNA AB We have built a whole-genome multiple alignment of the three currently available mammalian genomes using a fully automated pipeline that combines the local/global approach of the Berkeley Genome Pipeline and the LAGAN program. The strategy is based on progressive alignment and consists of two main steps: (1) alignment of the mouse and rat genomes, and (2) alignment of human to either the mouse-rat alignments from step 1, or the remaining unaligned mouse and rat sequences. The resulting alignments demonstrate high sensitivity, with 87% of all human gene-coding areas aligned in both mouse and rat. The specificity is also high: <7% of the rat contigs are aligned to multiple places in human, and 97% of all alignments with human sequence >100 kb agree with a three-way synteny map built independently, using predicted exons in the three genomes. At the nucleotide level <1% of the rat nucleotides are mapped to multiple places in the human sequence in the alignment, and 96.5% of human nucleotides within all alignments agree with the synteny map. The alignments are publicly available online, with visualization through the novel Multi-VISTA browser that we also present. C1 Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. Softberry Inc, Mt Kisco, NY 10549 USA. Stanford Univ, Dept Genet, Stanford, CA 94305 USA. Stanford Univ, Dept Pathol, Stanford, CA 94305 USA. RP Batzoglou, S (reprint author), Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. EM lldubchak@lbl.gov RI Cooper, Gregory/D-6914-2011; OI Cooper, Gregory/0000-0001-5509-9923; Solovyev, Victor/0000-0001-8885-493X NR 26 TC 60 Z9 64 U1 1 U2 3 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD APR PY 2004 VL 14 IS 4 BP 685 EP 692 DI 10.1101/gr.2067704 PG 8 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 809IH UT WOS:000220629900022 PM 15060011 ER PT J AU Ferris, FG Phoenix, V Fujita, Y Smith, RW AF Ferris, FG Phoenix, V Fujita, Y Smith, RW TI Kinetics of calcite precipitation induced by ureolytic bacteria at 10 to 20 degrees C in artificial groundwater SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID UREASE ACTIVITY; CARBONATE PRECIPITATION; BACILLUS PASTEURII; RATE LAWS; GROWTH; NUCLEATION; WATER; PH; CRYSTALLIZATION; HYDROLYSIS AB The kinetics of calcite precipitation induced in response to the hydrolysis of urea by Bacillus pasteurii at different temperatures in artificial groundwater (AGW) was investigated. The hydrolysis of urea by B. pasteurii exhibited a temperature dependence with first order rate constants of 0.91 d(-1) at 20 degreesC, 0.18 d(-1) at 15 degreesC. and 0.09 d(-1) at 10 degreesC. At all temperatures, the pH of the AGW increased from 6.5 to 9.3 in less than 1 d. Dissolved Ca2+ concentrations decreased in an asymptotic fashion after 1 d at 20 degreesC and 15 degreesC, and 2 d at 10 degreesC. The loss of Ca2+ from solution was accompanied by the development of solid phase precipitates that were identified as calcite by X-ray diffraction. The onset of calcite precipitation at each temperature occurred after similar amounts of urea were hydrolyzed, corresponding to 8.0 mM NH4+. Specific rate constants for calcite precipitation and critical saturation state were derived from time course data following a second-order chemical affinity-based rate law. The calcite precipitation rate constants and critical saturation states varied by less than 10% between the temperatures with mean values of 0.16 +/- 0.01 mumoles L-1 d(-1) and 73 +/- 3, respectively. The highest calcite precipitation rates (ca. 0.8 mmol L-1 d(-1)) occurred near the point of critical saturation. While unique time course trajectories of dissolved Ca2+ concentrations and saturation state values were observed at different temperatures, calcite precipitation rates all followed the same asymptotic profile decreasing with saturation state regardless of temperature. This emphasizes the fundamental kinetic dependence of calcite precipitation on saturation state, which connects the otherwise dissimilar temporal patterns of calcite precipitation that evolved under the different temperature and biogeochemical regimes of the experiments. Copyright (C) 2003 Elsevier Ltd. C1 Univ Toronto, Dept Geol, Toronto, ON M5S 3B1, Canada. Idaho Natl Engn & Environm Lab, Dept Biotechnol, Idaho Falls, ID 83415 USA. Univ Idaho, Dept Biol & Agr Engn, Idaho Falls, ID 83402 USA. RP Ferris, FG (reprint author), Univ Toronto, Dept Geol, 22 Russell St, Toronto, ON M5S 3B1, Canada. EM ferris@geology.utoronto.edu RI Phoenix, Vernon/J-8871-2014; Fujita, Yoshiko/S-2007-2016 OI Phoenix, Vernon/0000-0002-8682-5200; Fujita, Yoshiko/0000-0002-4472-4102 NR 40 TC 55 Z9 56 U1 3 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR PY 2004 VL 68 IS 8 BP 1701 EP 1710 DI 10.1016/S0016-7037(00)00503-9 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 813FD UT WOS:000220892100002 ER PT J AU Zachara, JM Kukkadapu, RK Gassman, PL Dohnalkova, A Fredrickson, JK Anderson, T AF Zachara, JM Kukkadapu, RK Gassman, PL Dohnalkova, A Fredrickson, JK Anderson, T TI Biogeochemical transformation of Fe minerals in a petroleum-contaminated aquifer SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID INSOLUBLE FE(III) OXIDE; HYDROUS FERRIC-OXIDE; GRAVEL AQUIFER; SHALLOW SAND; CRUDE-OIL; DISSIMILATORY REDUCTION; GEOTHRIX-FERMENTANS; IRON; MOSSBAUER; SEDIMENTS AB The Bemidji aquifer in Minnesota, USA is a well-studied site of subsurface petroleum contamination. The site contains an anoxic groundwater plume where soluble petroleum constituents serve as all energy Source for a region of methanogenesis near the source and bacterial Fe(III) reduction further down gradient. Methanogenesis apparently begins when bioavailable Fe(III) is exhausted within the sediment. Past Studies indicate that Geobacter species and Geothrix fermentens-like organisms are the primary dissimilatory Fe-reducing bacteria at this site. The Fe mineralogy of the pristine aquifer sediments and samples front the methanogenic (source) and Fe(III) reducing zones were characterized in this study to identify microbiologic changes to Fe valence and mineral distribution, and to identify whether new biogenic mineral phases had formed. Methods applied included X-ray diffraction: X-ray fluorescence (XRF); and chemical extraction; optical. transmission, and scanning electron microscopy; and Mossbauer spectroscopy. All of the sediments were low in total Fe content (approximate to 1%) and exhibited complex Fe-mineralogy. The bulk pristine sediment and its sand, silt, and clay-sized fractions were studied in detail. The pristine sediments contained Fe(II) and Fe(III) mineral phases. Ferrous iron represented approximately 50% of Fe(TOT). The relative Fe(II) concentration increased in the sand fraction, and its primary mineralogic residence was clinochlore with minor concentrations found as a ferroan calcite grain cement in carbonate lithic fragments. Fe(III) existed in silicates (epidote, clinochlore, muscovite) and Fe(Ill) oxides of detrital and authigenic origin. The detrital Fe(III) oxides included hematite and goethite in the form of mm-sized nodular concretions and smaller-sized dispersed crystallites, and euhedral magnetite grains. Authigenic Fe(III) oxides increased in concentration with decreasing particle size through the silt and clay fraction. Chemical extraction and Mossbauer analysis indicated that this was a ferrihydrite like-phase. Quantitative mineralogic and Fe(II/III) ratio comparisons between the pristine and contaminated sediments were not possible because of textural differences. However, comparisons between the texturally-similar source (where bioavailable Fe(III) had been exhausted) and Fe(III) reducing zone sediments (where bioavailable Fe(III) remained) indicated that dispersed detrital, crystalline Fe(III) oxides and a portion of: the authigenic, poorly crystalline Fe(Ill) oxide fraction had been depleted front the source zone sediment by microbiologic activity. Little or no effect of microbiologic activity was observed oil silicate Fe(III). The presence of residual "ferrihydrite" in the most bioreduced, anoxic plume sediment (Source) implied that a portion of the authigenic Fe(III) oxides were biologically inaccessible in weathered. lithic fragment interiors. Little evidence was found for the modern biogenesis of authigenic ferrous-containing mineral phases, perhaps with the exception of thin siderite or ferroan calcite surface precipitates on carbonate lithic fragments within source zone sediments. Copyright (C) 2004 Elsevier Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Massachusetts, Amherst, MA 01003 USA. RP Zachara, JM (reprint author), Pacific NW Natl Lab, MSIN K8-96,POB 999, Richland, WA 99352 USA. EM john.zachara@pnl.gov NR 37 TC 30 Z9 31 U1 7 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR PY 2004 VL 68 IS 8 BP 1791 EP 1805 DI 10.1016/j.gca.2003.09.022 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 813FD UT WOS:000220892100009 ER PT J AU Schieber, J Riciputi, L AF Schieber, J Riciputi, L TI Pyrite ooids in Devonian black shales record intermittent sea-level drop and shallow-water conditions SO GEOLOGY LA English DT Article DE black shale; sea level; sequence boundary; pyrite ooids; chamosite; ironstone ID OOLITIC IRONSTONES; CHATTANOOGA SHALE; SULFUR; ISOTOPES; OXYGEN AB Upper Devonian black shales of the eastern United States contain in places unusual beds of pyrite ooids. Textural and geochemical studies show that these originated as chamositic iron ooids that were replaced by pyrite during early diagenesis. Pyrite mimics the laminated texture of the precursor grain, yet inclusions of silicate minerals and instances of partial replacement reveal the secondary nature of the pyrite. Pyrite ooids occur above erosion surfaces that are considered sequence boundaries because of large lateral extent. Chamositic precursor ooids indicate an oxygenated water column and wave interaction with seafloor sediments at the time of their formation. This scenario agrees with earlier work that stipulates that erosion surfaces in Devonian black shales reflect lowering of sea level that allowed wave reworking and erosion of earlier-deposited black shales. Pyrite ooid beds thus furnish direct evidence of significant sea-level drops during the accumulation of Upper Devonian black shales in eastern North America. C1 Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RP Schieber, J (reprint author), Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. RI Schieber, Juergen Schieber/A-3001-2013 NR 26 TC 19 Z9 19 U1 3 U2 11 PU GEOLOGICAL SOC AMERICA, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 J9 GEOLOGY JI Geology PD APR PY 2004 VL 32 IS 4 BP 305 EP 308 DI 10.1130/G20202.1 PG 4 WC Geology SC Geology GA 808FB UT WOS:000220553900009 ER PT J AU Lehman, RM O'Connell, SP Banta, A Fredrickson, JK Reysenbach, AL Kieft, TL Colwell, FS AF Lehman, RM O'Connell, SP Banta, A Fredrickson, JK Reysenbach, AL Kieft, TL Colwell, FS TI Microbiological comparison of core and groundwater samples collected from a fractured basalt aquifer with that of dialysis chambers incubated in situ SO GEOMICROBIOLOGY JOURNAL LA English DT Article DE aquifer; attached; free-living; groundwater; microbiology; subsurface; TCE ID 16S RIBOSOMAL-RNA; GRADIENT GEL-ELECTROPHORESIS; MICROBIAL COMMUNITIES; BACTERIAL COMMUNITIES; TERRESTRIAL SUBSURFACE; UNATTACHED BACTERIA; SOUTHEASTERN SWEDEN; PLAIN AQUIFER; SEDIMENTS; BIODEGRADATION AB Microorganisms associated with basalt core were compared to those suspended in groundwater pumped from the same well in the eastern Snake River Plain Aquifer ( Idaho, USA). Two wells located at different distances from the source of a mixed-waste plume in the fractured basalt aquifer were examined. In the well more distal from the plume source, an array of dialysis chambers filled with either deionized water or crushed basalt was equilibrated to compare the microorganisms collected in this fashion with those from core and groundwater samples collected in a traditional manner from the same well. The samples were characterized to determine the total amount of biomass, presence of specific populations or physiological groups, and potential community functions. Microorganisms and their activities were nearly undetectable in core and groundwater collected from the well farthest from the plume source and substantially enriched in both core and groundwater from the well closest to the plume source. In both wells, differences ( statistically significant for some measures) were found between bacteria associated with the cores and those suspended in the groundwater. Significantly higher populations were found in the basalt- and water-filled dialysis chambers incubated in the open well compared with core and groundwater samples, respectively. For a given parameter, the variation among dialysis chambers incubated at different depths was much less than the high variation observed among core samples. Analyses on selected basalt- and water-filled dialysis chamber samples suggested that these two communities were compositionally similar but exhibited different potential functions. Documented knowledge of cell physiological changes associated with attachment and potential differences between attached and unattached communities in aquifers indicate that careful consideration should be given to the type of sample media (i.e., core, groundwater, substrata incubated in a well) used to represent a subsurface environment. C1 Idaho Natl Engn & Environm Lab, Dept Biotechnol, Idaho Falls, ID USA. Portland State Univ, Dept Environm Biol, Portland, OR 97207 USA. Pacific NW Natl LAb, Dept Environm Microbiol, Richland, WA USA. New Mexico Inst Min & Technol, Dept Biol, Socorro, NM 87801 USA. RP Lehman, RM (reprint author), ARS, USDA, No Grain Insects Res Lab, 2923 Medary Ave, Brookings, SD 57006 USA. EM mlehman@ngirl.ars.usda.gov OI Lehman, Michael/0000-0002-3391-3178 NR 52 TC 30 Z9 31 U1 0 U2 11 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0149-0451 J9 GEOMICROBIOL J JI Geomicrobiol. J. PD APR-MAY PY 2004 VL 21 IS 3 BP 169 EP 182 DI 10.1080/01490450490275848 PG 14 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 804WB UT WOS:000220327700004 ER PT J AU Berryman, JG AF Berryman, JG TI Poroelastic shear modulus dependence on pore-fluid properties arising in a model of thin isotropic layers SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE fluid effects; layered earth model; poroelasticity; shear ID WAVE ELASTIC-ANISOTROPY; POROUS-MEDIA; DYNAMIC POROELASTICITY; SEISMIC VELOCITIES; ROCKS; ATTENUATION; COMPRESSIBILITY; CONSTITUENTS; DISPERSION; EQUATIONS AB Gassmann's fluid substitution formulae for bulk and shear moduli were originally derived for the quasi-static mechanical behaviour of fluid-saturated rocks. It has been shown recently that it is possible to understand deviations from Gassmann's results at higher frequencies when the rock is heterogeneous, and in particular when the rock heterogeneity anywhere is locally anisotropic. On the other hand, a well-known way of generating anisotropy in the earth is through fine layering. Then, Backus' averaging of the mechanical behaviour of the layered isotropic media at the microscopic level produces anisotropic mechanical behaviour at the macroscopic level. For our present purposes, the Backus averaging concept can also be applied to fluid-saturated porous media, thereby permitting us to study how deviations from Gassmann's predictions could arise in an elementary fashion. We consider both open-pore and closed-pore boundary conditions between layers within this model in order to study in detail how violations of Gassmann's predictions can arise. After evaluating a number of possibilities, we find that two choices, G(eff)((1)) and G(eff)((2)), stand out and that they satisfy a pair of product formulae 6K(v)G(eff)((1)) = 6K(R)G(eff)((2)) = omega(+) omega(-), where omega(+/-) are eigenvalues of the stiffness matrix for the pertinent quasi-compressional and quasi-shear modes. K-R is the Reuss average for the bulk modulus, which is also the true bulk modulus K for the simple layered system. K-v is the Voigt average. For an isotropic polycrystalline system composed of simple layered systems randomly oriented at the microscale, K-v and K-R are the upper and lower bounds respectively on the bulk modulus, and G(eff)((2)) and G(eff)((1)) are the upper and lower bounds, respectively, on the G(eff) of interest here. For poroelasticity, we find that G(eff)((2)) = (C-11 + C-33 - 2C(13) - C-66)/3 exhibits many of the expected/desired properties of an effective shear modulus, exhibiting dependence on fluid properties. In particular, it is dependent on the fluctuations in the layer shear moduli, and also is a monotonically increasing function of Skempton's coefficient B of pore-pressure build-up, which is itself a measure of the pore fluid's ability to stiffen the porous material in compression. Moreover G(eff)((2)) also reduces exactly to one-half of the quasi-shear eigenvalue in the special case when the bulk modulus of all the layers is the same. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, POB 808 L-200, Livermore, CA 94551 USA. EM berryman1@llnl.gov RI Berryman, James/A-9712-2008 NR 39 TC 18 Z9 18 U1 1 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD APR PY 2004 VL 157 IS 1 BP 415 EP 425 DI 10.1111/j.1365-246X.2004.02184.x PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 815NT UT WOS:000221049700034 ER PT J AU Ballinger, MY Barnett, JM Glissmeyer, JA Edwards, DL AF Ballinger, MY Barnett, JM Glissmeyer, JA Edwards, DL TI Evaluation of sampling locations for two radionuclide air-sampling systems based on the requirements of ANSI/HPS N13.1-1999 SO HEALTH PHYSICS LA English DT Article DE regulations; air sampling; emissions; atmospheric; monitoring, air AB The Pacific Northwest National Laboratory characterized the performance of sampling locations for two radionuclide air-sampling systems that continuously monitor radioactive air emissions from research and development facilities. The testing was conducted to determine whether sampling system locations would meet the criteria for uniform air velocity and contaminant concentration in the American National Standard Institute standard, Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stacks and Ducts of Nuclear Facilities (ANSI/HPS N13.1-1999). The standard is a revision of the 1969 version that the facilities have been required to meet. Whereas the 1969 standard provided prescriptive criteria for the selection of sampling locations, the 1999 standard is performance-based and requires well-mixed sampling locations that must be demonstrated through performance tests that are specified in the standard. Testing at the Life Sciences Laboratory I was performed on the existing stack at the current sampling location; a scale model was built and used in place of the Radiochemical Processing Laboratory. Although both facilities' sampling sites were compliant with the 1969 standard, only the Radiochemical Processing Laboratory met the criteria of the revised standard. In the future, the use of a computational fluid dynamics computer model may be useful in determining whether a sampling location is likely to test successfully. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ballinger, MY (reprint author), Pacific NW Natl Lab, POB 999 MSIN P7-68, Richland, WA 99352 USA. EM ballingerm@battelle.org NR 11 TC 3 Z9 3 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD APR PY 2004 VL 86 IS 4 BP 406 EP 415 DI 10.1097/00004032-200404000-00010 PG 10 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 805EQ UT WOS:000220350000010 PM 15057062 ER PT J AU Barnett, JM Ballinger, MY Gervais, TL Douglas, DD Edwards, DL AF Barnett, JM Ballinger, MY Gervais, TL Douglas, DD Edwards, DL TI Results of inspection and cleaning of two radionuclide air-sampling systems based on the requirements of ANSI/HPS N13.1-1999 SO HEALTH PHYSICS LA English DT Article DE air sampling; emissions, atmospheric; regulations; monitoring, air AB The Pacific Northwest National Laboratory inspected and cleaned two radionuclide air-sampling systems that continuously monitor radioactive air emissions from research and development facilities. The inspection and cleaning was performed to evaluate effective methods and potential cost impacts of maintenance requirements in the revised American National Standard Institute standard Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stacks and Ducts of Nuclear Facilities. The standard requires at least annual inspections of sampling systems followed by cleaning if deposits are visible. During 2001 and 2002, inspections were performed leaving the sampling systems in place and inserting videoscope cables into different access points to allow viewing of the inside and outside of sampling manifolds and transport lines. Cleaning was performed on one of the systems by disconnecting and extracting the sampling manifold, then washing it with de-ionized water and scrub brushes. The wash water was analyzed for radioactivity and solids. Results of the inspection showed greater deposition in one of the systems than would be expected by a High Efficiency Particulate Air (HEPA) filtered exhaust stream, possibly due to accumulation of dust from a short period when unfiltered air was exhausted from construction areas. The second system was also downstream of HEPA filters and appeared much cleaner. The videoscope was a useful and cost-effective tool and provided a better view than could be obtained with the naked eye. However, because even small amounts of deposition were made visible with the videoscope, clarification is needed in defining when probe washing is merited, particularly in existing sampling systems whose design is not conducive to easy removal and cleaning. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Barnett, JM (reprint author), Pacific NW Natl Lab, POB 999 MSIN P7-68, Richland, WA 99352 USA. EM matthew.barnett@pnl.gov NR 5 TC 1 Z9 2 U1 1 U2 3 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD APR PY 2004 VL 86 IS 4 BP 416 EP 424 DI 10.1097/00004032-200404000-00011 PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 805EQ UT WOS:000220350000011 PM 15057063 ER PT J AU Efroymson, RA Sample, BE Peterson, MJ AF Efroymson, RA Sample, BE Peterson, MJ TI Ecotoxicity test data for total petroleum hydrocarbons in soil: Plants and soil-dwelling invertebrates SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE ecological risk assessment; ecotoxicity; petroleum; TPH; phytotoxicity; soil invertebrate ID OIL-POLLUTED SOILS; CRUDE-OIL; CONTAMINATED SOILS; DIESEL FUEL; ECOLOGICAL RISK; BIOREMEDIATION; TOXICITY; GROWTH; SPILLS; PHYTOTOXICITY AB Ecotoxicity benchmarks for petroleum mixtures can be used in a screening-level ecological risk assessment. Data from studies evaluating the toxicity of total petroleum hydrocarbons (TPH) to plants and soil invertebrates were reviewed for possible application to soil benchmark development. Toxicity data included LOAECs; estimated EC25s, EC20s, and LC50s; effective concentrations that caused greater than a 20% level of effect; and NOAECs. The variabilities in petroleum material, chemical analytical methodology, age of hydrocarbon-soil contact, nutrient amendment, and measured effects levels did not permit much meaningful aggregation. of the data. Tenth, twenty-fifth, and fiftieth percentiles of toxicity and no-effects data are presented for unaggregated results within studies. Effects on invertebrates often occurred at concentrations of TPH lower than those associated with effects on plants. Lighter mixtures generally were associated with lower ranges of effects concentrations than heavier crude oil. Few aged and non-aged samples were available from the same study, and these did not show obvious trends regarding toxicity. Similarly, the addition of nutrients to promote bioremediation was not observed across studies to alter effective or nontoxic concentrations in a systematic way. Existing toxicity data are not sufficient to establish broadly applicable TPH ecotoxicity screening benchmarks with much confidence, even for specific mixtures. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Efroymson, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM EfroymsonRA@ornl.gov OI Efroymson, Rebecca/0000-0002-3190-880X NR 48 TC 6 Z9 7 U1 2 U2 20 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1080-7039 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PD APR PY 2004 VL 10 IS 2 BP 207 EP 231 DI 10.1080/10807030490438175 PG 25 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 817RZ UT WOS:000221195900003 ER PT J AU Ryti, RT Markwiese, J Mirenda, R Soholt, L AF Ryti, RT Markwiese, J Mirenda, R Soholt, L TI Preliminary remediation goals for terrestrial wildlife SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE population effects; cleanup goal; ecological screening assessment; contaminated soil ID HOME-RANGE; MAMMALS AB Remediation of contaminated sites requires information on upper concentration limits of chemicals in environmental media that are protective of ecological receptors. These upper concentration limits can be considered ecological preliminary remediation goals (EcoPRGs). The motivation for developing EcoPRGs was to provide risk managers with a simple tool for evaluating remedial actions that would be protective of the environment. Hazard quotient calculations used to support ecological screening assessments were modified to derive soil EcoPRGs for terrestrial wildlife populations. The primary modification is a population area use factor that is the fraction of a terrestrial animal population potentially affected by the contaminated site. Wildlife assessment population boundaries are based on a receptor's dispersal distance; for mammals dispersal distance is strongly related to the linear dimension (square root) of home range. Assuming that wildlife are unlikely to disperse beyond some distance from their birth or natal site, dispersal distance can be thought of as the radius of the assessment population's boundaries. This general relationship is useful as a simple way to estimate assessment population areas for terrestrial animals and helps fill data gaps for wildlife without direct measurements of dispersal. C1 Neptune & Co Inc, Los Alamos, NM 87544 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Markwiese, J (reprint author), Neptune & Co Inc, 1505 15th St,Suite B, Los Alamos, NM 87544 USA. EM jimm@neptuneinc.org NR 21 TC 3 Z9 4 U1 0 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1080-7039 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PD APR PY 2004 VL 10 IS 2 BP 437 EP 450 DI 10.1080/10807030490438490 PG 14 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 817RZ UT WOS:000221195900014 ER PT J AU Griffith, B Chen, QY AF Griffith, B Chen, QY TI Framework for coupling room air models to heat balance model load and energy calculations (RP-1222) SO HVAC&R RESEARCH LA English DT Article ID ZONAL MODEL; SIMULATION; BUILDINGS; PROGRAMS AB Most energy and load calculation procedures have assumed that room air is well mixed, which may lead to significant errors in sizing HVAC systems, estimating building energy use, and predicting thermal comfort for buildings with buoyancy-driven room airflow. This investigation has developed a framework and computer code for coupling detailed air models with building energy and load calculations as an extension to the ASHRAE Toolkit for Building Load Calculations. Two nodal models and a momentum-zonal model were selected for testing the coupling framework in a program for hourly load calculations of a single thermal zone. The heat balance model for load and energy calculations is reformulated to use zone air temperature as a variable defined separately for each surface. Air system flow rates are determined using air model predictions for temperature at the air system returns and a room air control location. The effect of air models on sensible load was found to be minor except when aggressive diurnal thermal mass strategies were involved. Nodal models appear practical to implement in load and energy programs and should improve results for air system flow rate and return air temperatures. Results show increases of about a factor of four in computing time for nodal models compared to the well-mixed model. Computing time is increased by two orders with the three-dimensional momentum-zonal model. C1 Natl Renewable Energy Lab, Ctr Bldg & Thermal Syst, Golden, CO 80401 USA. Purdue Univ, Sch Mech Engn, Ray W Herrick Labs, W Lafayette, IN 47907 USA. RP Griffith, B (reprint author), Natl Renewable Energy Lab, Ctr Bldg & Thermal Syst, Golden, CO 80401 USA. NR 24 TC 5 Z9 6 U1 0 U2 3 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 1078-9669 J9 HVAC&R RES JI HVAC&R Res. PD APR PY 2004 VL 10 IS 2 BP 91 EP 111 DI 10.1080/10789669.2004.10391094 PG 21 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 814AZ UT WOS:000220948900002 ER PT J AU Liu, HH AF Liu, HH TI A constitutive-relationship model for film flow on rough fracture surfaces SO HYDROGEOLOGY JOURNAL LA English DT Article DE unsaturated zone; conceptual models; hydraulic properties ID SOIL-WATER RETENTION; HYDRAULIC CONDUCTIVITY; ROCKS AB Film flow on fracture surfaces may be an important mechanism for fast flow in unsaturated fractured rocks. Incorporating this mechanism into a numerical model requires knowledge of constitutive relationships for film flow. Based on fractal concepts and a conceptual argument of Tokunaga et al. that water films could be treated as analogues to water in unsaturated porous media, a simple constitutive-relationship model has been developed. The validity of the model is supported by excellent agreements between calculation results and experimental observations for two different fracture surfaces. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94706 USA. RP Liu, HH (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, MS 90-1116, Berkeley, CA 94706 USA. EM hhliu@lbl.gov NR 20 TC 4 Z9 4 U1 0 U2 4 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1431-2174 J9 HYDROGEOL J JI Hydrogeol. J. PD APR PY 2004 VL 12 IS 2 BP 237 EP 240 DI 10.1007/s10040-003-0297-x PG 4 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 820OT UT WOS:000221399900011 ER PT J AU Xiong, HD Fleetwood, DM Schwank, JR AF Xiong, HD Fleetwood, DM Schwank, JR TI Low-frequency noise and radiation response of buried oxides in SOI nMOS transistors SO IEE PROCEEDINGS-CIRCUITS DEVICES AND SYSTEMS LA English DT Article ID SILICON-ON-INSULATOR; THERMALLY-STIMULATED-CURRENT; 1/F RESISTANCE NOISE; MOS DEVICES; TEMPERATURE-DEPENDENCE; SEMICONDUCTOR TRANSISTORS; IRRADIATION RESPONSE; INTERFACE-TRAP; MOBILE PROTONS; INDUCED CHARGE AB The back channel low-frequency noise of 1.2 mum x 2.3 mum SOI nMOS transistors with a buried oxide thickness of 170 nm was measured as a function of frequency, back gate bias V-bg and temperature T. For a temperature range of 85 less than or equal to T less than or equal to 320 K, noise measurements were performed at frequencies of 0.3 less than or equal to f less than or equal to 1 kHz with top gate bias V-bg = 0 V and V-bg-Vbg-th = 4 V, where Vbg-th is the back gate threshold voltage. The temperature and frequency dependences of the I If noise of back channel SOI nMOS transistors show thermally activated charge exchange between the Si channel and defects in the buried oxide. Comparison is made with the Dutta and Horn model of 1/f noise. Devices on one particular wafer appear to show a Mixture of 1/f noise and noise with a higher frequency exponent at low temperatures. Little change is observed in back gate noise with irradiation for the devices and Irradiation conditions studied. This is probably due to large preirradiation defect densities in the buried oxides. C1 Vanderbilt Univ, Nashville, TN 37235 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Xiong, HD (reprint author), Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA. NR 46 TC 4 Z9 4 U1 0 U2 7 PU IEE-INST ELEC ENG PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1350-2409 J9 IEE P-CIRC DEV SYST JI IEE Proc.-Circuit Device Syst. PD APR PY 2004 VL 151 IS 2 BP 118 EP 124 DI 10.1049/ip-cds:20040432 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA 825YX UT WOS:000221796500010 ER PT J AU Louderback, DA Fish, MA Klem, JF Serkland, DK Choquette, KD Pickrell, GW Stone, RV Guilfoyle, PS AF Louderback, DA Fish, MA Klem, JF Serkland, DK Choquette, KD Pickrell, GW Stone, RV Guilfoyle, PS TI Development of bottom-emitting 1300-nm vertical-cavity surface-emitting lasers SO IEEE PHOTONICS TECHNOLOGY LETTERS LA English DT Article DE 1300 nm; bottom-emitting; flip chip; InGaAsN; optical communications; vertical-cavity surface-emitting laser (VCSEL) ID VCSELS; PERFORMANCE AB We present experimental results on the development of bottom-emitting GaInNAs vertical-cavity surface-emitting lasers (VCSELs) operating at wavelengths near 1300 nm. This development effort is based on the modification of oxide-apertured top-emitting structures to allow emission through the GaAs substrate. Similar device performance was seen in both the top- and bottom-emitting structures. Single-mode output powers (adjusted for substrate absorption) of similar to0.75 mW, with threshold currents of 1.3 mA, were achieved with similar to3.5-mum aperture diameters. Larger multimode devices exhibited a maximum adjusted output power of 2.2 mW. To the best of our knowledge, these are the first bottom-emitting flip-chip compatible 1300-nm VCSELs fabricated with GaInNAs-GaAs active regions. C1 OptiComp Corp, Zephyr Cove, NV 89448 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. RP Louderback, DA (reprint author), OptiComp Corp, Zephyr Cove, NV 89448 USA. EM duanel@opticomp.com NR 8 TC 12 Z9 13 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1041-1135 J9 IEEE PHOTONIC TECH L JI IEEE Photonics Technol. Lett. PD APR PY 2004 VL 16 IS 4 BP 963 EP 965 DI 10.1109/LPT.2004.824614 PG 3 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 809BR UT WOS:000220612700002 ER PT J AU Arodzero, A Bolozdynya, A Bolotnikov, A Proctor, A Richards, J AF Arodzero, A Bolozdynya, A Bolotnikov, A Proctor, A Richards, J TI Two-channel high-pressure helium-3 scintillation neutron detector SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE (3)He; neutrons; scintillation detector ID XE AB We have developed a two-channel, high-pressure (3)He gas scintillation detector that operates in coincidence mode. The detector consists of two 16-mm diameter avalanche photodiodes viewing a 7-mm gap between them and mounted inside a stainless steel shell with 1.5-mm thick input windows. The gap is filled with a (3)He + 0.5%Xe gas mixture pressurized at 35 bar. The detector rejects signals generated by radiation interacting directly with the photodiodes and works as a "wall-less"' detector, sensitive to interactions occurring only in the gas. The detector shows axial and radial position sensitivity to thermal. neutrons within the gap between photodiodes. The position sensitivity is observed in good agreement with computer simulations. Applications are discussed. C1 Constellat Technol Corp, Largo, FL 33777 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Arodzero, A (reprint author), Constellat Technol Corp, Largo, FL 33777 USA. EM bolozdynya@contech.com NR 14 TC 1 Z9 1 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2004 VL 51 IS 2 BP 322 EP 327 DI 10.1109/TNS.2004.825091 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 813BV UT WOS:000220883500004 ER PT J AU Gitomer, SJ Brown, IG Choi, JJ Chu, PK Fujiyama, H Hegeler, F Hwang, YS Kushner, MJ Lawson, W Sudo, S Uhm, HS AF Gitomer, SJ Brown, IG Choi, JJ Chu, PK Fujiyama, H Hegeler, F Hwang, YS Kushner, MJ Lawson, W Sudo, S Uhm, HS TI Special Issue On Selected Oral Contributed Papers From ICOPS 2003 - Editorial SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material C1 Los Alamos Natl Lab, Nucl Nonproliferat Div, Safeguards Syst Grp, Los Alamos, NM 87545 USA. RP Gitomer, SJ (reprint author), Los Alamos Natl Lab, Nucl Nonproliferat Div, Safeguards Syst Grp, N-4, Los Alamos, NM 87545 USA. RI Chu, Paul/B-5923-2013; Kushner, Mark/D-4547-2015 OI Chu, Paul/0000-0002-5581-4883; NR 0 TC 0 Z9 0 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2004 VL 32 IS 2 BP 350 EP 354 DI 10.1109/TPS.2004.830908 PN 1 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 832PA UT WOS:000222278200001 ER PT J AU Ang, LK Lau, YY Kwan, TJT AF Ang, LK Lau, YY Kwan, TJT TI Simple derivation of quantum scaling in Child-Langmuir law SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE beams; cathodes; nanotechnology; space charge ID EMITTER; LENGTH AB A simple derivation of the new scaling of Child-Langmuir law in the quantum regime is presented. Based on a dimensional argument of the Schrodinger equation and the Poisson equation, the limiting current in the deeply quantum regime is found to be proportional to the square root of the gap voltage and to the inverse fourth power of gap spacing. The importance of electron exchange-correlation interactions in the quantum regime is discussed. C1 Nanyang Technol Univ, Sch Elect & Elect Engn, Singapore 639798, Singapore. Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Ang, LK (reprint author), Nanyang Technol Univ, Sch Elect & Elect Engn, Singapore 639798, Singapore. EM elkang@ntu.edu.sg RI ANG, Lay Kee/F-8115-2015 OI ANG, Lay Kee/0000-0003-2811-1194 NR 13 TC 51 Z9 52 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2004 VL 32 IS 2 BP 410 EP 412 DI 10.1109/TPS.2004.826366 PN 1 PG 3 WC Physics, Fluids & Plasmas SC Physics GA 832PA UT WOS:000222278200010 ER PT J AU Byon, E Kim, JK Kwon, SC Anders, A AF Byon, E Kim, JK Kwon, SC Anders, A TI Effect of ion mass and charge state on transport of vacuum arc plasmas through a biased magnetic filter SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE arc plasma; cathodic vacuum arc; ion charge states; macroparticle filter; plasma transport ID HIGH-ASPECT-RATIO; CATHODIC ARC; MACROPARTICLE FILTERS; DISTRIBUTIONS; METALLIZATION; TRENCHES; VIAS AB The effect of ion mass and charge state on plasma transport through a 90degrees-curved magnetic filter is experimentally investigated using a pulsed cathodic arc source. Graphite, copper, and tungsten were selected as test materials. The filter was a bent copper coil biased via the voltage drop across a low-ohm, "self-bias" resistor. Ion transport is accomplished via a guiding electric field, whose potential forms a "trough" shaped by the magnetic guiding field of the filter coil. Evaluation was done by measuring the filtered ion current and determination of the particle system coefficient, which can be defined as the ratio of filtered ion current, divided by the mean ion charge state, to the are current. It was found that the ion current and particle system coefficient decreased as the mass-to-charge ratio of ions increased. This result can be qualitatively interpreted by a very simple model of ion transport that is based on compensation of the centrifugal force by the electric force associated with the guiding potential trough. C1 Korea Inst Machinery & Mat, Surface Engn Dept, Chang Won 641010, South Korea. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Byon, E (reprint author), Korea Inst Machinery & Mat, Surface Engn Dept, Chang Won 641010, South Korea. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 NR 28 TC 8 Z9 8 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2004 VL 32 IS 2 BP 433 EP 439 DI 10.1109/TPS.2004.826363 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 832PA UT WOS:000222278200015 ER PT J AU Uhm, HS Davidson, RC AF Uhm, HS Davidson, RC TI Effects of the plasma conductivity on transverse instabilities in high-intensity ion beam SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE instability; ion beam; plasma conductivity; resistive-hose; two-stream ID ELECTRON AB A stability analysis of a propagating ion beam through a plasma medium is carried out in terms of transverse conductivity of the background plasma. Coupled eigenvalue equations are obtained for the flat-top density profiles of beam ions and plasma electrons. The dispersion relation of the transverse instability in an intense ion beam propagating through the background plasma is derived, including the plasma conductivity (4pisigma(perpendicular to)/omega), the magnetic decay time tau(d) and fractional charge neutralization f. It is shown that the obtained dispersion relation recovers the previous one of the electron-ion two-stream instability in the limit of sigma(perpendicular to) --> 0. On the other hand, the dispersion relation of the resistive-hose instability is recovered when sigma(perpendicular to) --> infinity. Influence of the finite transverse conductivity sigma(perpendicular to) on the resistive hose stability properties are investigated for the ion beam propagating through a plasma channel. The growth rate of the resistive hose instability decreases considerably as the transverse conductivity 4pisigma(perpendicular to)/omega decreases from infinity. C1 Ajou Univ, Dept Mol Sci & Technol, Suwon 442749, South Korea. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Uhm, HS (reprint author), Ajou Univ, Dept Mol Sci & Technol, Suwon 442749, South Korea. EM hsuhm@ajou.ac.kr NR 23 TC 2 Z9 2 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2004 VL 32 IS 2 BP 440 EP 447 DI 10.1109/TPS.2004.827575 PN 1 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 832PA UT WOS:000222278200016 ER PT J AU Winske, D AF Winske, D TI Wave drag due to dust acoustic waves in collisional dusty plasmas SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE dusty plasmas; electrostatic waves; nonlinear waves; numerical simulations; particle collisions ID CURRENT GLOW-DISCHARGE; MICROGRAVITY CONDITIONS; IONIZATION-INSTABILITY; STREAMING INSTABILITY; NONLINEAR DEVELOPMENT; LATTICE WAVES; ION DRAG; MODES; SIMULATION; DISPERSION AB The ion drag force on dust grains in a dusty plasma contributes significantly to the formation of equilibrium dust layers and void regions in radio-frequency discharges. In addition to the drag due to the direct collection of ions and to momentum transfer of ions in the electric field near grains, dust grains can also be subject to a drag force due to the effect of coherent waves, such as dust acoustic waves that can grow because of the drift of plasma ions relative to charged grains induced by an externally imposed electric field. Here, we examine wave drag due to unstable dust acoustic waves in a collisional dusty plasma using numerical simulations. We study the drag as a function of grain size as well as neutral-ion and neutral-dust collisions in both one-dimensional periodic systems, in which it is easier to study the instability properties per se, and in aperiodic configurations in order to assess effects associated with dust drag and void formation. For the parameter range considered, we find that in the absence of background collisions, the instability tends to saturate by trapping the plasma ions in the electrostatic waves, which does not affect the dust grains very much. Including ion-neutral collisions tends to suppress ion trapping, which in turn leads to larger wave amplitudes and trapping of the dust, resulting in significant drag on the dust grains. Inclusion of neutral-dust collisions leads to a grain size-dependent result, with the persistence of trapping of, and thus drag on, larger grains only. For the parameters of this study, the wave drag force is much larger than the ion drag usually considered. C1 Los Alamos Natl Lab, Appl Phys Div, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Appl Phys Div, Los Alamos, NM 87545 USA. EM winske@lanl.gov NR 53 TC 4 Z9 4 U1 2 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2004 VL 32 IS 2 BP 663 EP 674 DI 10.1109/TPS.2004.826088 PN 2 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 832PC UT WOS:000222278400023 ER PT J AU Rao, NSV Grimmell, WC Bang, YC Radhakrishnan, S AF Rao, NSV Grimmell, WC Bang, YC Radhakrishnan, S TI On algorithms for quickest paths under different routing modes SO IEICE TRANSACTIONS ON COMMUNICATIONS LA English DT Letter DE quickest path problem; message forwarding mechanisms; end-to-end delay; path computation ID NETWORKS; NETLETS AB In the emerging networks, routing may be performed at various levels of the TCP/IP stack, such as datagram, TCP stream or application level, with possibly different message forwarding modes. We formulate an abstract quickest path problem for the transmission of a message of size sigma from a source to a destination with the minimum end-to-end delay over a network with bandwidth and delay constraints on the links. We consider six modes for the message forwarding at the nodes reflecting the mechanisms such as circuit switching, store and forward, and their combinations. For each of first five modes, we present O(m(2) + mn log n) time algorithms to compute the quickest path for a given message size sigma. For the last mode, the quickest path can be computed in O(m + n log n) time. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Korea Polytech Univ, Dept Comp Engn, Kyonggi Do, South Korea. Univ Oklahoma, Sch Comp Sci, Norman, OK 73019 USA. RP Rao, NSV (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. OI Rao, Nageswara/0000-0002-3408-5941 NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEICE-INST ELECTRONICS INFORMATION COMMUNICATIONS ENG PI TOKYO PA KIKAI-SHINKO-KAIKAN BLDG, 3-5-8, SHIBA-KOEN, MINATO-KU, TOKYO, 105-0011, JAPAN SN 0916-8516 EI 1745-1345 J9 IEICE T COMMUN JI IEICE Trans. Commun. PD APR PY 2004 VL E87B IS 4 BP 1002 EP 1006 PG 5 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 811NT UT WOS:000220779300025 ER PT J AU Wiegel, FW Perelson, AS AF Wiegel, FW Perelson, AS TI Some scaling principles for the immune system SO IMMUNOLOGY AND CELL BIOLOGY LA English DT Article DE protectons; scaling laws; theoretical immunology ID T-CELL-RECEPTOR; REPERTOIRE; INFLUENZA; SIZE AB Using recent progress in biological scaling, we explore the way in which the immune system of an animal scales with its mass (M). It is shown that the number of cells in a single clone of B cells should scale as M and that the B-cell repertoire scales as ln (cM), where c is a constant. The time that a B cell needs to circulate once through the organism is shown to scale as M-1/4 ln (cM). It is suggested that the scaling of other cell populations in the immune system could be derived from these scaling relations for B cells. C1 Univ Amsterdam, Inst Theoret Phys, NL-1018 XE Amsterdam, Netherlands. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Perelson, AS (reprint author), MS-4710,T-10, Los Alamos, NM 87545 USA. EM asp@lanl.gov FU NIAID NIH HHS [R37-AI28433] NR 13 TC 28 Z9 28 U1 0 U2 3 PU BLACKWELL PUBLISHING ASIA PI CARLTON PA 54 UNIVERSITY ST, P O BOX 378, CARLTON, VICTORIA 3053, AUSTRALIA SN 0818-9641 J9 IMMUNOL CELL BIOL JI Immunol. Cell Biol. PD APR PY 2004 VL 82 IS 2 BP 127 EP 131 DI 10.1046/j.0818-9641.2004.01229.x PG 5 WC Cell Biology; Immunology SC Cell Biology; Immunology GA 808CT UT WOS:000220547900004 PM 15061763 ER PT J AU Campbell, GH Plitzko, JM King, WE Foiles, SM Kisielowski, C Duscher, GJM AF Campbell, GH Plitzko, JM King, WE Foiles, SM Kisielowski, C Duscher, GJM TI Copper segregation to the Sigma 5 (310)/[001] symmetric tilt grain boundary in aluminum SO INTERFACE SCIENCE LA English DT Article; Proceedings Paper CT EuroConference on Structure and Composition of Interfaces in Solids CY AUG 18-23, 2002 CL Kloster Irsee, GERMANY DE grain boundary; segregation; HREM ID TRANSMISSION ELECTRON-MICROSCOPY; AL-CU; DIFFUSION MECHANISMS; ANGSTROM RESOLUTION; ADSORPTION; GASES; RECONSTRUCTION; SURFACE AB New insight into the atomic segregation of copper to an aluminum grain boundary has been obtained using multiple, complementary atomic resolution electron microscopy techniques coupled with ab-initio electronic structure calculations. The copper segregation is site specific and changes the structure of the boundary by occupying interstitial sites. Minor elemental constituents in materials can have profound effects on their engineering performance. This change in structure can be associated with these strong effects. The observed structural change will alter the mass transport behavior of the boundary and has implications for the understanding of electromigration mechanisms. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Sandia Natl Labs, Mat & Proc Modeling Dept, Albuquerque, NM 87185 USA. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94550 USA. N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Dept Solid State Phys, Oak Ridge, TN 37831 USA. RP Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RI Campbell, Geoffrey/F-7681-2010; Duscher, Gerd/G-1730-2014; Plitzko, Juergen/H-9576-2014 OI Duscher, Gerd/0000-0002-2039-548X; NR 45 TC 8 Z9 9 U1 5 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD APR-JUL PY 2004 VL 12 IS 2-3 BP 165 EP 174 DI 10.1023/B:INTS.0000028647.72322.90 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 822MF UT WOS:000221543500005 ER PT J AU Merkle, KL Thompson, LJ Phillipp, F AF Merkle, KL Thompson, LJ Phillipp, F TI In-situ HREM studies of grain boundary migration SO INTERFACE SCIENCE LA English DT Article; Proceedings Paper CT EuroConference on Structure and Composition of Interfaces in Solids CY AUG 18-23, 2002 CL Kloster Irsee, GERMANY DE grain boundary migration; in-situ high-resolution transmission electron microscopy; atomic migration mechanisms; collective effects ID RESOLUTION ELECTRON-MICROSCOPY; MOLECULAR-DYNAMICS; ATOMIC-RESOLUTION; FCC METALS; DISLOCATIONS; DISSOCIATION; ALUMINUM; ENERGY; MOTION; GOLD AB Thermally activated grain boundary migration ( GB) is important in grain growth and thermo-mechanical processing of materials, but very little is known about the atomic-scale mechanisms involved. The purpose of this paper is to identify atomic-scale GB migration mechanism and investigate their dependence on GB structure. High-angle tilt and general GBs are investigated at elevated temperatures by high-resolution transmission electron microscopy (HREM) in Au and Al bicrystalline thin films. Digital analysis of HREM video recordings is used to detect atomic-scale structural changes at migrating GBs. GB motion typically is not smooth, but involves sharply varying speeds and thermally activated spatial fluctuations. Collective effects in GB migration are shown to exist and several different migration mechanisms are identified. Atomic-scale GB migration is found to depend on the macroscopic GB geometry as well as details of the interatomic interactions. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Max Planck Inst Met Res, D-70569 Stuttgart, Germany. RP Merkle, KL (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 31 TC 24 Z9 25 U1 1 U2 22 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD APR-JUL PY 2004 VL 12 IS 2-3 BP 277 EP 292 DI 10.1023/B:INTS.0000028657.72527.5b PG 16 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 822MF UT WOS:000221543500015 ER PT J AU Collins, MJ AF Collins, MJ TI Covering a set of points with a minimum number of turns SO INTERNATIONAL JOURNAL OF COMPUTATIONAL GEOMETRY & APPLICATIONS LA English DT Article; Proceedings Paper CT 9th Annual International Computing and Combinatorics Conference (COCOON 2003) CY JUL 25-28, 2003 CL BIG SKY, MT SP Montana State Univ, Comp Sci Dept DE turns; bends; link-length; rectilinear; TSP ID LINK LENGTH; GRIDS AB Given a finite set of points in Euclidean space, we can ask what is the minimum number of times a piecewise-linear path must change direction in order to pass through all of them. We prove some new upper and lower bounds for the rectilinear version of this problem in which all motion is orthogonal to the coordinate axes. We also consider the more general case of arbitrary directions. C1 Sandia Natl Labs, Cryptog & Informat Syst Surety Dept, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. RP Collins, MJ (reprint author), Sandia Natl Labs, Cryptog & Informat Syst Surety Dept, POB 5800, Albuquerque, NM 87185 USA. EM mjcolli@sandia.gov NR 5 TC 7 Z9 7 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-1959 J9 INT J COMPUT GEOM AP JI Int. J. Comput. Geom. Appl. PD APR PY 2004 VL 14 IS 1-2 BP 105 EP 114 DI 10.1142/S021819590400138X PG 10 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA 832GB UT WOS:000222254200007 ER PT J AU Hammi, Y Bammann, DJ AF Hammi, Y Bammann, DJ TI Modeling of anisotropic damage for ductile materials in metal forming processes SO INTERNATIONAL JOURNAL OF DAMAGE MECHANICS LA English DT Article DE constitutive behavior; anisotropic damage; void nucleation; void growth; void coalescence; elastic-viscoplasticity material; stress integration finite elements; metal forming processes ID PLASTIC-DEFORMATION; ELASTOPLASTICITY; NUCLEATION; EVOLUTION; STRAIN; VOIDS AB The primary goal of this study is to model the anisotropic effect of ductile damage in metal forming processes. To represent the ductile metals, an anisotropic ductile plasticity/damage formulation is considered within the framework of continuum mechanics. The formulation is motivated from fracture mechanisms and physical observations in Al-Si-Mg aluminum alloys with second phases. The ductile damage mechanisms are represented by the classical ductile process of nucleation of voids at inclusions, followed by their growth and coalescence. Functions associated with each mechanism are related to different microstructural parameters. The damage, represented by a second rank tensor, is coupled to the Bammann-Chiesa-Johnson (BCJ) rate-dependent plasticity using the effective stress concept. The constitutive equations are integrated using a trapezoidal implicit scheme and implemented into an explicit finite element code. This implementation is used to predict damage during the forward axisymmetric extrusion of an aluminum bar. This example illustrates the applicability of the model to predict the initiation and the evolution of anisotropic damage in metal forming processes. C1 Sandia Natl Labs, Mat & Engn Sci Ctr, Livermore, CA 94551 USA. Mississippi State Univ, Mississippi State, MS 39762 USA. RP Hammi, Y (reprint author), Sandia Natl Labs, Mat & Engn Sci Ctr, MS 9405, Livermore, CA 94551 USA. OI Horstemeyer, Mark/0000-0003-4230-0063 NR 25 TC 12 Z9 12 U1 0 U2 8 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1056-7895 EI 1530-7921 J9 INT J DAMAGE MECH JI Int. J. Damage Mech. PD APR PY 2004 VL 13 IS 2 BP 123 EP 146 DI 10.1177/1056789504039255 PG 24 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 876HD UT WOS:000225486500002 ER PT J AU Wei, Y Chow, CL Neilsen, MK Fang, HE AF Wei, Y Chow, CL Neilsen, MK Fang, HE TI Constitutive model for Sn-Pb solder under fatigue loading SO INTERNATIONAL JOURNAL OF DAMAGE MECHANICS LA English DT Article DE fatigue life; damage; strain rate; viscoplastic; solder; hold time; load drop; grain coarsening ID ENERGY APPROACH; TEMPERATURE; PREDICTIONS; FREQUENCY AB The paper presents a constitutive model for Sn-Pb solder which captures the response of this complex material subject to a variety of load paths including fatigue loading. Internal state variables are established to characterize grain coarsening and material degradation observed experimentally. A damage-coupled viscoplastic constitutive model is formulated to take into account the effects of temperature and loading rates on mechanical response. The influence of fatigue loading frequency or strain rate, hold time, and temperature on mechanical behavior and fatigue life for 63Sn-37Pb solder alloy is examined. The fatigue failure predictions are compared with those obtained experimentally and found to be satisfactory. C1 Univ Michigan, Dept Engn Mech, Dearborn, MI 48128 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wei, Y (reprint author), Univ Michigan, Dept Engn Mech, Dearborn, MI 48128 USA. NR 17 TC 10 Z9 11 U1 0 U2 3 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1056-7895 J9 INT J DAMAGE MECH JI Int. J. Damage Mech. PD APR PY 2004 VL 13 IS 2 BP 147 EP 161 DI 10.1177/1056789504041056 PG 15 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 876HD UT WOS:000225486500003 ER PT J AU Chen, FC Gao, ZM AF Chen, FC Gao, ZM TI An analysis of black liquor falling film evaporation SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article ID HEAT-TRANSFER; VISCOSITY; FLOWS; MASS AB Scaling in conventional black liquor evaporators has presented problems for decades, impeding the improvement of productivity in paper mills. Recent investigations suggest that falling film technology may effectively minimize black liquor fouling and improve productivity in a paper mill. This finding motivates the current work to analyze the transport phenomenon, enrichment and scale fouling of black liquor in a falling film evaporator. In the paper, a mathematical model based on a turbulent two-phase flow with multiple components is presented to investigate the transport processes of black liquor in a failing film evaporator. A phenomenological model of crystallization fouling is used to predict the fouling process. The results show the relationship between heat and mass transfer occurring within a very thin viscous sublayer close to the heat transfer surface, and the influence of soluble solids concentration and thermal boundary condition on the enrichment and scale fouling of black liquor. (C) 2003 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM chenfc@ornl.gov OI Gao, Zhiming/0000-0002-7139-7995 NR 33 TC 11 Z9 11 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD APR PY 2004 VL 47 IS 8-9 BP 1657 EP 1671 DI 10.1016/j.ijheatmasstransfer.2003.10.034 PG 15 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 803UV UT WOS:000220256900008 ER PT J AU Debusschere, B Rutland, CJ AF Debusschere, B Rutland, CJ TI Turbulent scalar transport mechanisms in plane channel and Couette flows SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article ID HEAT-TRANSFER; WALL REGION AB To investigate the transport of scalars by turbulent flows with different shear stresses, direct numerical simulations were performed of passive heat transfer in a plane channel and Couette flow. The simulations showed that streamwise vortices play a significant role in near wall heat transfer for both flows. At the centerline, Couette flow has large scale structures that transport heat across the centerline. In channel flow, lower turbulence levels at the centerline are not effective in breaking up packets of hot or cold fluid. This results in higher temperature fluctuations at the centerline and overall lower heat transfer than in Couette flow. (C) 2003 Elsevier Ltd. All rights reserved. C1 Univ Wisconsin, Dept Mech Engn, Madison, WI 53706 USA. RP Debusschere, B (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9051, Livermore, CA 94550 USA. EM bert@debusschere.net; rutland@engr.wisc.edu NR 24 TC 38 Z9 39 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD APR PY 2004 VL 47 IS 8-9 BP 1771 EP 1781 DI 10.1016/j.ijheatmasstransfer.2003.10.031 PG 11 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 803UV UT WOS:000220256900017 ER PT J AU Gera, D Syamlal, M O'Brien, TJ AF Gera, D Syamlal, M O'Brien, TJ TI Hydrodynamics of particle segregation in fluidized beds SO INTERNATIONAL JOURNAL OF MULTIPHASE FLOW LA English DT Article ID SIMULATION; FLOW; SIZE C1 Fluent Inc, Morgantown, WV 26505 USA. US DOE, Morgantown, WV 26505 USA. RP Gera, D (reprint author), Fluent Inc, 3647 Collins Ferry Rd,Suite A, Morgantown, WV 26505 USA. EM dfg@fluent.com; tobrie@netl.doe.gov NR 16 TC 78 Z9 80 U1 0 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0301-9322 J9 INT J MULTIPHAS FLOW JI Int. J. Multiph. Flow PD APR PY 2004 VL 30 IS 4 BP 419 EP 428 DI 10.1016/j.ijmultiphaseflow.2004.01.003 PG 10 WC Mechanics SC Mechanics GA 807YH UT WOS:000220536300004 ER PT J AU Baesu, E Rudd, RE Belak, J McElfresh, M AF Baesu, E Rudd, RE Belak, J McElfresh, M TI Continuum modeling of cell membranes SO INTERNATIONAL JOURNAL OF NON-LINEAR MECHANICS LA English DT Article ID ATOMIC-FORCE MICROSCOPY; RED BLOOD-CELL; CURVATURE ELASTICITY; LIVING CELLS; FLUID FILMS; EQUILIBRIUM; COSSERAT AB In this paper, we develop a finite-deformation model for cell membranes with a view toward characterizing the local mechanical response of membranes in atomic force microscope (AFM) experiments. The membrane is modeled as a 2-D fluid continuum endowed with bending resistance. The general theory is used to obtain equations that describe axisymmetric equilibrium states. The membrane is assumed to enclose a fluid medium, which transmits hydrostatic pressure to the membrane, and a point load is applied at the pole to simulate an AFM probe. Both types of loading are associated with a potential and the problem is then cast in a variational setting. The equilibrium equations and boundary conditions are obtained by applying standard variational procedures, resulting in a pair of coupled fourth-order differential equations to be solved for the shape of the meridian. Further refinements associated with global constraints on the enclosed volume and contact with a rigid substrate are introduced, and a solution strategy is proposed which relies on an iterative scheme for calculating the associated Lagrange multipliers. (C) 2003 Elsevier Ltd. All rights reserved. C1 Univ Nebraska, Dept Engn Mech, Lincoln, NE 68588 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Mat Res Inst, Livermore, CA 94550 USA. RP Baesu, E (reprint author), Univ Nebraska, Dept Engn Mech, W304 Nebraska Hall, Lincoln, NE 68588 USA. RI Sano, Michael/E-1715-2011 NR 24 TC 11 Z9 11 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7462 J9 INT J NONLINEAR MECH JI Int. J. Non-Linear Mech. PD APR PY 2004 VL 39 IS 3 BP 369 EP 377 DI 10.1016/S0020-7462(02)00193-2 PG 9 WC Mechanics SC Mechanics GA 725YN UT WOS:000185570100002 ER PT J AU Yang, Q Parvin, B Mariano, AJ Ryan, EH Evans, R Brown, OB AF Yang, Q Parvin, B Mariano, AJ Ryan, EH Evans, R Brown, OB TI Seasonal and interannual studies of vortices in sea surface temperature data SO INTERNATIONAL JOURNAL OF REMOTE SENSING LA English DT Article; Proceedings Paper CT Oceans from Space Venice 2000 Symposium CY OCT 09-13, 2000 CL Venice, ITALY ID RINGS AB An algorithm for calculating feature displacement velocities and for detecting vortices has been applied to 13 years of sea surface temperature data derived from Advanced Very High Resolution Radiometer (AVHRR) data. A unique global event database for seasonal and interannual studies of the spatial distribution of oceanic vortices was created for the years 1986-1998. The results indicate that (1) the number of vortices in each season is fairly constant from year to year in each hemisphere - however, their preferred locations change on seasonal to interannual time-scales; (2) the maximum number of vortices were detected in the summer and in the winter in all oceans and the minimum number were detected in the autumn; and ( 3) the distribution of the spatial density function shows preferred localizations such as 40degreesS, the tropical instability region, marginal seas, western boundary and eastern boundary current regimes. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. RP Yang, Q (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. EM qyang@media.lbl.gov OI Ryan, Edward/0000-0002-2571-9754 NR 11 TC 5 Z9 5 U1 0 U2 0 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0143-1161 J9 INT J REMOTE SENS JI Int. J. Remote Sens. PD APR PY 2004 VL 25 IS 7-8 BP 1371 EP 1376 DI 10.1080/01431160310001592319 PG 6 WC Remote Sensing; Imaging Science & Photographic Technology SC Remote Sensing; Imaging Science & Photographic Technology GA 779ZJ UT WOS:000189343600019 ER PT J AU Yeung, MR Sun, N Jiang, QH Blair, SC AF Yeung, MR Sun, N Jiang, QH Blair, SC TI Analysis of large block test data using three-dimensional Discontinuous Deformation Analysis SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES LA English DT Article; Proceedings Paper CT Regional ISRM Sinorock 2004 Symposium CY MAY 18-21, 2004 CL PEOPLES R CHINA SP Int Soc Rock Mech DE 3D DDA; coupled thermal-mechanical analysis; LBT C1 Univ Hong Kong, Dept Civil Engn, Hong Kong, Hong Kong, Peoples R China. Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Hubei, Peoples R China. Lawrence Livermore Natl Lab, Div Earth Sci, Livermore, CA USA. RP Yeung, MR (reprint author), Univ Hong Kong, Dept Civil Engn, Pokfulam Rd, Hong Kong, Hong Kong, Peoples R China. EM mryeung@hku.hk NR 0 TC 4 Z9 4 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1365-1609 J9 INT J ROCK MECH MIN JI Int. J. Rock Mech. Min. Sci. PD APR PY 2004 VL 41 IS 3 BP 458 EP 459 DI 10.1016/j.ijrmms.2003.12.125 PG 2 WC Engineering, Geological; Mining & Mineral Processing SC Engineering; Mining & Mineral Processing GA 824KJ UT WOS:000221685000085 ER PT J AU Hao, S Liu, WK Klein, PA Rosakis, AJ AF Hao, S Liu, WK Klein, PA Rosakis, AJ TI Modeling and simulation of intersonic crack growth SO INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES LA English DT Article DE dynamic fracture; crack growth; cohesive model; intersonic; supersonic; meshfree method; fracture toughness; interfacial decohesion; interface crack ID KERNEL PARTICLE METHODS; SHEAR CRACK; FINITE-ELEMENT; WAVE SPEED; PROPAGATION; EARTHQUAKE; INTERFACES; VELOCITY; RUPTURES; CONTACT AB Intersonic crack growth has been studied using an interfacial fracture model in which an additional material phase within a bonding layer is proposed to describe the failure behavior of the interface. In this material phase, a strain gradient based damage model is applied with a built-in cohesive law, which is governed by an material intrinsic length scale that bridges the mechanisms that operate at continuum mechanics scale and at smaller scales. Simulations of the intersonic crack growth experiments (Rosakis et al., 1999; Rosakis, 2002) have been performed with varying material length scales and other parameters. The study is focused on two subjects: (1) the process of decohesion-induced cracking, explaining fracture process zone initiation and propagation as well as the corresponding contact mechanisms; (2) propagation speed, investigating the effects of length scales and loading parameters. The simulations reveal that a fracture process zone initiates first and extends with a speed faster than shear wave speed. After initiation, the crack speed exhibits oscillations with an average value between c(s) root2 and c(1), where c(s) and c(1) refer to shear wave and dilatation wave speeds, respectively. In such a quasi-steady-state propagation, the crack opening profiles exhibit a time-invariant profile, while the fracture process zone size and decohesion energy remain constant. Contact between the crack faces is taken into account in the numerical simulations. A contact zone behind the crack tip has been captured which represents a self-healing-like mechanism. The leading edge of both the fracture process zone and the contact zone may cause strong shocks. When the average crack propagation speed approaches the supersonic region, two stress shocks radiate from the crack tip, corresponding to shear and dilatation wave radiation, respectively. The simulation results demonstrate that length and time scales play vital roles during crack propagation. Here the length scales refer to the bonding layer thickness and the material's intrinsic length that governs energy dissipation during failure; whereas the time scales refer to the effects of material strain rate dependence, material failure speed, and wave propagation properties. A parameter R-s, expressed as the ratio of material shear strength and the applied stress that is calculated from the remote imposed displacement boundary condition, is proposed to scale crack speed. Intersonic propagation occurs when Rs is greater than a threshold value. The numerical computations are compared with experiments (Rosakis et al., 1999; Rosakis, 2002) and the theoretical solution [Philos. Mag., A, in press], which demonstrates the trend that crack propagation is unstable in the open speed interval between c(s) and k(v)c(s) (root2 less than or equal to k(v) < c(1)/c(s)) whereas it is stable when the speed lies in the close interval between k(v)c(s) and c(1). The coefficient k(v) is a function of material length scale, strain rate sensitivity, and boundary conditions. The moving particle finite element method, a newly developed meshfree method, and the pinball contact algorithm are applied in the numerical analysis. (C) 2003 Elsevier Ltd. All rights reserved. C1 Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. Sandia Natl Labs, Livermore, CA 94551 USA. CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. RP Hao, S (reprint author), Northwestern Univ, Dept Mech Engn, 2154 Sheridan Rd, Evanston, IL 60208 USA. EM suhao@northwestern.edu; w-liu@northwestern.edu; paklein@sandia.gov; rasakis@aero.caltech.edu RI Liu, Wing/B-7599-2009 NR 59 TC 66 Z9 68 U1 0 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7683 J9 INT J SOLIDS STRUCT JI Int. J. Solids Struct. PD APR PY 2004 VL 41 IS 7 BP 1773 EP 1799 DI 10.1016/j.ijsolstr.2003.10.025 PG 27 WC Mechanics SC Mechanics GA 778ET UT WOS:000189227000003 ER PT J AU Blakely, EA Chang, PY Bjornstad, KA McNamara, MP Rosen, CJ Chylack, LT Goldstein, LE AF Blakely, EA Chang, PY Bjornstad, KA McNamara, MP Rosen, CJ Chylack, LT Goldstein, LE TI Profile of beta-amyloid precursor protein (beta-APP) synthesis and processing during human lens cell differentiation SO INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE LA English DT Meeting Abstract CT Annual Meeting of the Association-for-Research-in-Vision-and-Ophthalmology CY APR 24-29, 2004 CL Ft Lauderdale, FL SP Assoc Res Vis & Ophthalmol C1 Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. SRI Int, Biopharmaceut Div, Menlo Pk, CA 94025 USA. Brigham & Womens Hosp, Ctr Ophthalm Res, Boston, MA 02115 USA. Brigham & Womens Hosp, Mol Aging & Dev Lab, Boston, MA 02115 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 0146-0404 J9 INVEST OPHTH VIS SCI JI Invest. Ophthalmol. Vis. Sci. PD APR PY 2004 VL 45 SU 1 MA 2627 BP U975 EP U975 PG 1 WC Ophthalmology SC Ophthalmology GA 846TA UT WOS:000223338002562 ER PT J AU Gastinger, MJ Yusupov, RG Kenyon, GT Glickman, RD Marshak, DW AF Gastinger, MJ Yusupov, RG Kenyon, GT Glickman, RD Marshak, DW TI Histamine modulates the activity of baboon retinal ganglion cells in vitro SO INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE LA English DT Meeting Abstract CT Annual Meeting of the Association-for-Research-in-Vision-and-Ophthalmology CY APR 24-29, 2004 CL Ft Lauderdale, FL SP Assoc Res Vis & Ophthalmol C1 Univ Texas, Hlth Sci Ctr, Houston, TX USA. Russian Eye & Plast Surg Ctr, Ufa, Russia. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Texas, Hlth Sci Ctr, San Antonio, TX 78285 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 0146-0404 J9 INVEST OPHTH VIS SCI JI Invest. Ophthalmol. Vis. Sci. PD APR PY 2004 VL 45 SU 2 MA 5431 BP U651 EP U651 PG 1 WC Ophthalmology SC Ophthalmology GA 846TC UT WOS:000223338202604 ER PT J AU Goldstein, LE Hartley, D Liang, J Muffat, J Rehrmann, M Ericsson, M Thurston, G Marcus, M Bush, A Chylack, L AF Goldstein, LE Hartley, D Liang, J Muffat, J Rehrmann, M Ericsson, M Thurston, G Marcus, M Bush, A Chylack, L TI Alzheimer's disease B-amyloid (A beta) in the lens: Interactions with alphaB-crystallin, small heat shock proteins, and redox-active metal. SO INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE LA English DT Meeting Abstract CT Annual Meeting of the Association-for-Research-in-Vision-and-Ophthalmology CY APR 24-29, 2004 CL Ft Lauderdale, FL SP Assoc Res Vis & Ophthalmol C1 Brigham & Womens Hosp, Boston, MA 02115 USA. Harvard Univ, Sch Med, Boston, MA USA. Massachusetts Gen Hosp, Boston, MA 02114 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RI Muffat, Julien/P-2298-2014 NR 0 TC 0 Z9 0 U1 0 U2 2 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 0146-0404 J9 INVEST OPHTH VIS SCI JI Invest. Ophthalmol. Vis. Sci. PD APR PY 2004 VL 45 SU 2 MA 3507 BP U156 EP U156 PG 1 WC Ophthalmology SC Ophthalmology GA 846TC UT WOS:000223338200705 ER PT J AU Guven, D Maghribi, M Weiland, JD Davidson, C Pannu, S Arai, S Krulevitch, P LaBree, L Humayun, MS AF Guven, D Maghribi, M Weiland, JD Davidson, C Pannu, S Arai, S Krulevitch, P LaBree, L Humayun, MS TI Evaluation of an inactive epiretinal poly-dimethylsiloxane electrode array implanted in dogs by optical coherence tomography SO INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE LA English DT Meeting Abstract CT Annual Meeting of the Association-for-Research-in-Vision-and-Ophthalmology CY APR 24-29, 2004 CL Ft Lauderdale, FL SP Assoc Res Vis & Ophthalmol C1 Univ So Calif, Keck Sch Med, Doheny Retina Inst, Los Angeles, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ So Calif, Keck Sch Med, Dept Prevent Med, Los Angeles, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 0146-0404 J9 INVEST OPHTH VIS SCI JI Invest. Ophthalmol. Vis. Sci. PD APR PY 2004 VL 45 SU 2 MA 4213 BP U401 EP U401 PG 1 WC Ophthalmology SC Ophthalmology GA 846TC UT WOS:000223338201407 ER PT J AU Weiland, JD Guven, D Maghribi, M Davidson, C Pannu, S Mahadevappa, M Krulevitch, P Sanchez, RA Humayun, MS AF Weiland, JD Guven, D Maghribi, M Davidson, C Pannu, S Mahadevappa, M Krulevitch, P Sanchez, RA Humayun, MS TI Chronic implantation of an inactive epiretinal poly (dimethyl siloxane) electrode array in dogs SO INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE LA English DT Meeting Abstract CT Annual Meeting of the Association-for-Research-in-Vision-and-Ophthalmology CY APR 24-29, 2004 CL Ft Lauderdale, FL SP Assoc Res Vis & Ophthalmol C1 Doheny Eye Inst, Los Angeles, CA 90033 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 0146-0404 J9 INVEST OPHTH VIS SCI JI Invest. Ophthalmol. Vis. Sci. PD APR PY 2004 VL 45 SU 2 MA 4210 BP U386 EP U386 PG 1 WC Ophthalmology SC Ophthalmology GA 846TC UT WOS:000223338201405 ER PT J AU Napolitano, RE Meco, H Jung, C AF Napolitano, RE Meco, H Jung, C TI Faceted solidification morphologies in low-growth-rate Al-Si eutectics SO JOM LA English DT Article ID ALUMINIUM-SILICON ALLOYS; MECHANISM; CRYSTALS AB In this article, recent findings from the investigation of solidification morphologies resulting from the low-velocity directional solidification of Al-Si eutectic alloys are discussed. The development of a primary array of angular silicon rods is. examined, and the twinned structure of the faceted silicon phase is shown to He an essential contributor to the mechanisms of growth, branching, spacing selection, and the evolution of <100> Si texture within the two-phase microstructure. C1 Iowa State Univ, Dept Mat Sci & Engn, Iowa City, IA 52242 USA. Ames Lab, Mat & Engn Phys Program, Ames, IA USA. Iowa State Univ, Grad Res Assistants, Dept Mat Sci & Engn, Iowa City, IA USA. RP Iowa State Univ, Dept Mat Sci & Engn, Iowa City, IA 52242 USA. EM ralphn@iastate.edu NR 23 TC 19 Z9 20 U1 1 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD APR PY 2004 VL 56 IS 4 BP 16 EP 21 DI 10.1007/s11837-004-0067-9 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810KW UT WOS:000220704200003 ER PT J AU Morris, JR Napolitano, RE AF Morris, JR Napolitano, RE TI Developments in determining the anisotropy of solid-liquid interfacial free energy SO JOM LA English DT Article ID DENDRITIC GROWTH; SURFACE ENERGIES; AL-CU; CRYSTAL NUCLEATION; PIVALIC ACID; SYSTEMS; SOLIDIFICATION; MELTS; BCC; SELECTION AB Interfacial free energy and its anisotropy are key to understanding both crystal nucleation and growth behavior New methods for accurately determining these properties have been developed in the last few years, both theoretically and experimentally. However, there are many questions to be answered: how does the interfacial free energy (and particularly the anisotropy) depend upon material (or interatomic potential)? How does it depend upon crystalline structure? The latter is important in various suggestions that the easiest phase to nucleate from the melt may not be the thermodynamically stable phase.(1-5) Do these properties depend upon the structure of the liquid? Recent developments have opened the door not only to new understanding, but to broader questions than,could be previously addressed. C1 Oak Ridge Natl Lab, Div Met & Ceram, Naples, Italy. Iowa State Univ, Dept Mat Sci & Engn, Iowa City, IA USA. Ames Lab, Mat & Engn Phys Program, Ames, IA USA. RP Morris, JR (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, Naples, Italy. EM morrisj@ornl.gov; ralphn@iastate.edu RI Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 43 TC 13 Z9 13 U1 0 U2 8 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2004 VL 56 IS 4 BP 40 EP 44 DI 10.1007/s11837-004-0071-0 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810KW UT WOS:000220704200007 ER PT J AU Baskes, MI AF Baskes, MI TI An atomistic study of solid/liquid interfaces in binary systems SO JOM LA English DT Article ID EMBEDDED-ATOM METHOD; MOLECULAR-DYNAMICS; CRYSTAL-GROWTH; METALS AB In this study, a semi-empirical Lennard-Jones/embedded atom method model is used to capture real materials behavior through the introduction of many-body forces. By means of molecular dynamics calculations, the model is used to study the dependence of the solid-liquid interface velocity on temperature for two alloy compositions. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Baskes, MI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM baskes@lanl.gov NR 18 TC 9 Z9 10 U1 0 U2 1 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2004 VL 56 IS 4 BP 45 EP 48 DI 10.1007/s11837-004-0072-z PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810KW UT WOS:000220704200008 ER PT J AU Hoyt, JJ Karma, A Asta, M Sun, DY AF Hoyt, JJ Karma, A Asta, M Sun, DY TI From atoms to dendrite's SO JOM LA English DT Article ID MELT INTERFACIAL ENERGY; PHASE-FIELD; MOLECULAR-DYNAMICS; UNDERCOOLED MELTS; CRYSTAL-GROWTH; SOLIDIFICATION; ANISOTROPY; MODEL; SURFACE; LIQUID AB Dendritic microstructures control the properties of a wide range of advanced materials ranging from nickel-based superalloys used in turbine blades to lightweight aluminum-based alloys for the automotive industry. This article reviews recent progress in quantitative modeling dendritic growth through the combination of state-of-the-art atomistic and phase field simulations. Also shown is how the combination of these two distinct length-scale modeling approaches can yield a parameter-free prediction of the dendrite growth velocity as a function of undercooling for deeply undercooled nickel melts. C1 Northeastern Univ, Sandia Natl Labs, Boston, MA 02115 USA. Northeastern Univ, Dept Phys, Boston, MA 02115 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Hoyt, JJ (reprint author), Northeastern Univ, Sandia Natl Labs, Boston, MA 02115 USA. EM jjhoyt@sandia.gov RI Sun, Deyan/D-5088-2012 OI Sun, Deyan/0000-0002-9728-8017 NR 49 TC 7 Z9 7 U1 0 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD APR PY 2004 VL 56 IS 4 BP 49 EP 54 DI 10.1007/s11837-004-0073-y PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810KW UT WOS:000220704200009 ER PT J AU Radhakrishnan, B Sarma, G AF Radhakrishnan, B Sarma, G TI Simulating the deformation and recrystallization of aluminum bicrystals SO JOM LA English DT Article ID PLANE-STRAIN COMPRESSION; MN-MG ALLOYS; GRAIN-GROWTH; FCC METALS; CRYSTALLOGRAPHIC TEXTURE; POLYCRYSTAL PLASTICITY; SINGLE-CRYSTALS; MICROSTRUCTURE; BOUNDARIES; MESOSCALE AB To understand the formation of the deformation substructure and its evolution during annealing to produce unique microstructures and textures in aluminum alloys, the development and coupling of physically based models spanning different length scales is necessary. Under hot deformation conditions, the deformation substructure is a collection of cells/subgrains of different sizes and orientations. Recrystallization following hot deformation occurs by the heterogeneous evolution of the subgrain structure, the kinetics of which is controlled by variations in driving forces and boundary properties at the microstructural length scale. This article describes a mesoscale approach for modeling the microstructure and texture evolution during recrystallization following hot deformation. A Monte Carlo simulation technique is used to evolve the substructure and texture during recrystallization. The simulations are applied to the deformation and recrystallization of aluminum bicrystals with specific combinations of crystallographic orientations. The simulation results are compared with experimental results. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Radhakrishnan, B (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM radhakrishnb@ornl.gov NR 34 TC 7 Z9 7 U1 1 U2 10 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2004 VL 56 IS 4 BP 55 EP 62 DI 10.1007/s11837-004-0074-x PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810KW UT WOS:000220704200010 ER PT J AU Yu, W Zamborszky, F Alavi, B Baur, A Merlic, CA Brown, SE AF Yu, W Zamborszky, F Alavi, B Baur, A Merlic, CA Brown, SE TI Influence of charge order on the ground states of TMTTF molecular salts SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE organic conductors; charge order; Spin-Peierls; antiferromagnet; high-pressure ID MOTT-HUBBARD PHASE; ORGANIC CONDUCTORS; DENSITY WAVES; TETRAMETHYLTETRATHIAFULVALENE; (TMTTF)(2)PF6; (TMTSF)(2)PF6 AB (TMTTF)(2)AsF6 and (TMTTF)(2)SbF6 are both known to undergo a char-e ordering phase transition, though their ground states are different. The ground state of the first is Spin-Peierls, and the second is an antiferromagnet. We study the effect of pressure on the ground states and the charge-ordering using C-13 NMR spectroscopy. The experiments demonstrate that the the CO and SP order parameters are repulsive. and consequently the AF state is stabilized when the CO order parameter is large, as it is for (TMTTF)(2)SbF6. An extension of the well-known temperature/pressure phase diagram is proposed. C1 Univ Calif Los Angeles, Dept Phys, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. RP Yu, W (reprint author), Univ Calif Los Angeles, Dept Phys, Los Angeles, CA 90095 USA. EM brown@physics.ucla.edu RI Yu, Weiqiang/E-9722-2012 NR 19 TC 24 Z9 24 U1 0 U2 6 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 35 EP 40 DI 10.1051/jp4:2004114006 PG 6 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200007 ER PT J AU Dressel, M Drichko, N Schlueter, J Bogdanova, O Zhilyaeva, E Lyubovskaya, R Greco, A Merino, J AF Dressel, M Drichko, N Schlueter, J Bogdanova, O Zhilyaeva, E Lyubovskaya, R Greco, A Merino, J TI Influence of electronic correlations and band-filling on the charge-ordering effects in two-dimensional organic conductors investigated by infrared spectroscopy SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE optical properties; charge ordering; electronic correlations; two-dimensional organic conductors ID PHASE-DIAGRAM; ALPHA-(BEDT-TTF)(2)KHG(SCN)(4); PRESSURE AB A comparative study of the low-energy optical properties of the 1/4-filled two-dimensional organic conductors alpha-(BEDT-TTF)(2)MHg(SCN)(4) (M = K, NH4) and the 1/5-filled salt beta"-(BEDO-TTF)(5)[CsHg(SCN)(4)](2) is presented. The superconducting alpha-(BEDT-TTF)(2)NH4Hg(SCN)(4) exhibits metallic-like optical properties down to 4 K. This is in contrast to the non-superconducting salt alpha-(BEDT-TTF)(2)KHg(SCN)(4) where a strong feature appears at frequencies of about 200 cm(-1) and temperatures below 200 K which indicates the opening of a pseudogap. In the anisotropic and poor metal beta"-(BEDO-TTF)(5)[CsHg(SCN)(4)]) We find a similar pseudogap in the optical spectra around 300 cm(-1) up to room temperature and the presence of a strong Drude-like contribution. Based on exact diagonalisation calculations of the optical conductivity on an extended Hubbard model at quarter-filling we argue that the proximity of the alpha-phase BEDT-TTF salts to a charge-ordering transition is responsible for the observed pseudogap. Our proposed scenario suggests that the different ground states, including superconductivity, are a consequence of the fluctuations associated with short-range charge ordering which builds up close to the quantum phase transition. In a 1/5-filled system similar features like the short-range checkerboard charge fluctuations are expected, but the Drude contribution is always present because the charge ordered state is strongly modified by the presence of mobile empty sites. C1 Univ Stuttgart, Inst Phys, D-70550 Stuttgart, Germany. AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Russia. Fac Ciencias Exactas Ingn & Agrimensura, Rosario, Argentina. Inst Fis Rosario, Rosario, Argentina. Max Planck Inst Festkorperforsch, D-70506 Stuttgart, Germany. RP Dressel, M (reprint author), Univ Stuttgart, Inst Phys, Pfaffenwaldring 57, D-70550 Stuttgart, Germany. RI Dressel, Martin/D-3244-2012; Merino, Jaime/L-4135-2014 OI Merino, Jaime/0000-0002-2413-7189 NR 26 TC 2 Z9 2 U1 0 U2 1 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 183 EP 189 DI 10.1051/jp4:2004114042 PG 7 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200043 ER PT J AU Coldea, AI Bangura, AF Ardavan, A Singleton, J Akutsu-Sato, A Akutsu, H Turner, SS Day, R AF Coldea, AI Bangura, AF Ardavan, A Singleton, J Akutsu-Sato, A Akutsu, H Turner, SS Day, R TI Fermiology of new charge-transfer salts, beta ''-(BEDT-TTF)(4)[(H3O)M(C2O4)(3)]center dot solvent where M = Ga, Cr and Fe SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE magnetoresistance; quantum oscillations ID BEDT-TTF; MAGNETORESISTANCE; SUPERCONDUCTIVITY; MOLECULES; STATE AB We report high-field magnetotransport measurements oil beta"-(BEDT-TTF)(4)[(H3O)M(C2O4)(3)], solvent, where M=Ga3+, Cr3+ and Fe3+ and solvent=C5H5N. In spite of their differing transition metal-ions, M, the three compounds exhibit similar magnetic quantum oscillation spectra superimposed on a positive magnetoresistance. At least four independent quantum oscillation frequencies have been identified, corresponding to two different hole and electron pockets of the Fermi surface which follow the rules of a compensated metal. Observation of the small pockets could be the result of the Fermi surface reconstruction induced by a possible density wave. The effective masses are very similar for different samples and for different pockets range between m(eff) approximate to 0.5 - 1.1 m(e) whereas the Dingle temperatures varies between T-D approximate to 1.4 - 4 K. At low temperature, the longitudinal magnetoresistance violates Kohler's rule, suggesting that the interlayer transport in these quasi-2D systems cannot be related to a single scattering time and that the disorder plays an important role. C1 Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England. RP Coldea, AI (reprint author), Univ Oxford, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. EM a.coldea1@physics.ox.ac.uk RI Coldea, Amalia/C-1106-2013 NR 17 TC 1 Z9 1 U1 0 U2 2 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 205 EP 209 DI 10.1051/jp4:2004114045 PG 5 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200046 ER PT J AU Giannetta, RW Lawrie, DD Carrington, A Prozorov, R Schlueter, JA Kini, AM Geiser, U Mohtasham, J Winter, RW Gard, GL AF Giannetta, RW Lawrie, DD Carrington, A Prozorov, R Schlueter, JA Kini, AM Geiser, U Mohtasham, J Winter, RW Gard, GL TI London penetration depth in (BEDT-TTF)(2) superconductors SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE penetration depth; order parameter; organic superconductor; superfluid density ID ANDREEV BOUND-STATES; CUPRATE SUPERCONDUCTORS; C-13 NMR; RELAXATION; HEAT AB Measurements of the London penetration depth,; (T), are reported for crystals of superconducting kappa-(ET)(2) Cu[N(CN)(2)]Br (T-C = 11.6 K) and beta"-(ET)(2)-SF5CH2CF2SO3 (T-C = 5.2 K) at temperatures down to 0.35 K. For kappa-(ET)(2) Cu[N(CN)(2)]Br the superfluid density shows the power law behavior characteristic of nodal quasiparticles with impurity scattering. The rate of change of superfluid density with temperature is higher than predicted by a weak-coupling d-wave model and higher than observed in the copper oxides. The in-plane penetration depth consistently shows a T-3/2 dependence while the interplane penetration depth varies as T-1.22. Measurements in beta"-(ET)(2)-SF5CH2CF2SO3 also show power law behavior consistent with nodal quasiparticles but with greater impurity scattering than in kappa-(ET)(2) CU[N(CN)(2)]Br. C1 Univ Illinois, Loomis Lab Phys, Urbana, IL 61801 USA. Univ Bristol, Dept Phys, Bristol BS8 1TL, Avon, England. Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Portland State Univ, Dept Chem, Portland, OR 97207 USA. RP Giannetta, RW (reprint author), Univ Illinois, Loomis Lab Phys, 1110 W Green, Urbana, IL 61801 USA. EM russg@uiuc.edu; a.carrington@bristol.ac.uk; prozorov@mailaps.org; jaschlueter@anl.gov RI Kini, Aravinda/F-4467-2012; Prozorov, Ruslan/A-2487-2008 OI Prozorov, Ruslan/0000-0002-8088-6096 NR 23 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 211 EP 215 DI 10.1051/jp4:2004114046 PG 5 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200047 ER PT J AU Klehe, AK Biggs, T Tomita, T Schilling, JS Kini, AM Schlueter, JA AF Klehe, AK Biggs, T Tomita, T Schilling, JS Kini, AM Schlueter, JA TI Comparative magnetotransport anid.T-c measurements under pressure on kappa-(BEDT-TTF)(2)Cu(NCS)(2) SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE pressure; superconducting transition temperature; carrier concentration; organic molecular metal ID SUPERCONDUCTING TRANSITION-TEMPERATURE; LAYERED ORGANIC SUPERCONDUCTORS; NORMAL-STATE PROPERTIES; HIGH MAGNETIC-FIELDS; T-C; CUPRATE SUPERCONDUCTORS; DEPENDENCE; KAPPA-(ET)(2)CU(NCS)(2); BETA''-(ET)(2)SF5CH2CF2SO3; KAPPA-(BEDT-TTF)2CU(NCS)2 AB kappa-(BEDT-TTF)(2)Cu(NCS)(2) is one of the best characterized organic superconductors. The resemblance of its pressure-temperature phase diagram to that of the carrier-density-temperature phase diagram in cuprate superconductors has frequently been taken as evidence for similar interaction mechanisms governing Superconductivity, even though direct evidence for a correlation between carrier density and T, in organic superconductors had been missing. We have performed and compared several magnetoresistive as well as ac-susceptibility measurements under pressure on single crystals of kappa-(BEDT-TTF)(2)Cu(NCS)(2) with different isotopical composition. The isotopical composition of kappa-(BEDT-TTF)(2)Cu(NCS)(2) is irrelevant to the pressure dependence of the superconducting state. In general, pressure on kappa-(BEDT-TTF)(2)Cu(NCS)(2) is seen to decrease T, and to increase the quasi 2-dimensional Fermi surface area. The exact pressure dependence, however, seems to be strongly influenced by the pressure technique used. However, the apparent divergence of the reported pressure dependences in kappa-(BEDT-TTF)(2)Cu(NCS)(2) converges into one dependence of T, against the carrier concentration of the quasi 2-dimensional Fermi surface. Pressure in kappa-(BEDT-TTF)(2)Cu(NCS)(2) is seen to transfer carriers from the quasi 1-dimensional to the quasi 2-dimensional Fermi surface section. The present results point to a strong correlation between T-c and the quasi 2-dimensional carrier concentration in this organic superconductor. C1 Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 3PU, England. Washington Univ, Dept Phys, St Louis, MO 63130 USA. Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. RP Klehe, AK (reprint author), Univ Oxford, Clarendon Lab, Dept Phys, Parks Rd, Oxford OX1 3PU, England. EM a.klehe1@physics.ox.ac.uk RI Kini, Aravinda/F-4467-2012 NR 19 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 217 EP 221 DI 10.1051/jp4:2004114047 PG 5 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200048 ER PT J AU Singleton, J Harrison, N Bangura, A Ardavan, A Montgomery, LK AF Singleton, J Harrison, N Bangura, A Ardavan, A Montgomery, LK TI A new superfluid in organic molecular metals at high magnetic fields SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE AB We show that the coexistence of a quasi-two-dimensional Fermi-surface exhibiting Landau quantisation and a charge-density wave leads to a screening of electromagnetic fields at the sample Surface. Hall potential experiments demonstrate that this screening is responsible for some of the unusual phenomena observed in the high-field CDWx state of alpha-(BEDT-TTF)(2)KHg(SCN)(4). C1 Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Indiana State Univ, Dept Chem, Bloomington, IN USA. RP Singleton, J (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, TA-35, Los Alamos, NM 87545 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 257 EP 261 DI 10.1051/jp4:2004114054 PG 5 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200055 ER PT J AU Wosnitza, J Hagel, J Stockert, O Pfleiderer, C Schlueter, JA Mohtasham, J Gard, GL AF Wosnitza, J Hagel, J Stockert, O Pfleiderer, C Schlueter, JA Mohtasham, J Gard, GL TI Fermi-surface reconstruction close to a pressure-induced metal-insulator transition SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE organic superconductors; band structure; metal-insulator transition ID DEPENDENT MAGNETORESISTANCE; BETA''-(ET)(2)SF5CH2CF2SO3 AB We report on a detailed investigation of the pressure-dependent structural and electronic properties close to the pressure-induced metal-insulator transition of the quasi-two-dimensional organic superconductor beta"-(BEDT-TTF)(2)SF5CH2CF2SO3, where BEDT-TTF stand for bisethylenedithio-tetrathiafulvalene (or ET for short). Although the pressure-dependent hysteresis of the metal-insulator transition suggests a structural origin, no major crystallographic modifications could be detected by neutron-scattering experiments. Shubnikov-de Haas (SdH) experiments, on the other hand, show that a reconstructed band structure precedes the phase transition to the insulating state. A new SdH frequency with a rather small effective mass appears. C1 Tech Univ Dresden, Inst Festkorperphys, D-01062 Dresden, Germany. MPI Chem Phys Fester Stoffe, D-01187 Dresden, Germany. Univ Karlsruhe, Inst Phys, D-76128 Karlsruhe, Germany. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Portland State Univ, Dept Chem, Portland, OR 97207 USA. RP Wosnitza, J (reprint author), Tech Univ Dresden, Inst Festkorperphys, D-01062 Dresden, Germany. EM Wosnitza@physik.tu-dresden.de RI Pfleiderer, Christian/P-3575-2014 NR 8 TC 1 Z9 1 U1 0 U2 2 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD APR PY 2004 VL 114 BP 277 EP 281 DI 10.1051/jp4:2004114058 PG 5 WC Physics, Multidisciplinary SC Physics GA 818AO UT WOS:000221218200059 ER PT J AU Bangura, AF Coldea, AI Ardavan, A Singleton, J Akutsu-Sato, A Akatsu, H Day, P AF Bangura, AF Coldea, AI Ardavan, A Singleton, J Akutsu-Sato, A Akatsu, H Day, P TI The effect of magnetic ions and disorder on superconducting beta ''-(BEDT-TTF)(4)[(H3O)M(C2O4)(3)]center dot C6H5NO2 salts, where M = Ga and Cr SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT 5th International Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets (ISCOM2003) CY SEP 21-26, 2003 CL Port Bourgenay, FRANCE DE organic superconductors-quantum oscillations AB We report in magnetotransport measurements performed in magnetic fields of up to 33 T and at low temperatures (0.45 K2.0.CO;2 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 807CF UT WOS:000220478900002 ER PT J AU Stan, M Zhu, YT Jiang, H Butt, DP AF Stan, M Zhu, YT Jiang, H Butt, DP TI Kinetics of oxygen removal from ceria SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID OXIDATION-KINETICS; OXIDE; TRANSPORT; HYDROGEN; STABILITY; REDUCTION; EXCHANGE; CEO2-X; PHASE AB The kinetics of oxygen removal from CeO2 were investigated using thermogravimetric analysis, at high temperatures, under a reducing atmosphere of Ar-6%H-2. A chemical diffusivity model was developed that takes into account the composition dependence of both the pre-exponential factor and the activation energy. In this model, the pre-exponential factor is given by D-0=22.32 exp(-0.22x) (cm(2)/s), and the activation energy is DeltaE=195.4-173.9x (kJ/mol), where x is the nonstoichiometry coefficient in CeO2-x. The model describes well the oxygen removal kinetics for the entire time range (100 min), demonstrating its superiority over two popular mathematical models that can only fit part of the experimental data. (C) 2004 American Institute of Physics. C1 Univ Calif Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Stan, M (reprint author), Univ Calif Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA. EM mastan@lanl.gov RI Zhu, Yuntian/B-3021-2008; Butt, Darryl/B-7480-2008 OI Zhu, Yuntian/0000-0002-5961-7422; Butt, Darryl/0000-0003-4501-8864 NR 33 TC 13 Z9 13 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2004 VL 95 IS 7 BP 3358 EP 3361 DI 10.1063/1.1650890 PG 4 WC Physics, Applied SC Physics GA 805BV UT WOS:000220342700016 ER PT J AU Breiland, WG Lee, SR Koleske, DD AF Breiland, WG Lee, SR Koleske, DD TI Effect of diffraction and film-thickness gradients on wafer-curvature measurements of thin-film stress SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EVOLUTION; INGAAS/GAAS; RELAXATION; DEPOSITION AB When optical measurements of wafer curvature are used to determine thin-film stress, the laser beams that probe the sample are usually assumed to reflect specularly from the curved surface of the film and substrate. Yet, real films are not uniformly thick, and unintended thickness gradients produce optical diffraction effects that steer the laser away from the ideal specular condition. As a result, the deflection of the laser in wafer-curvature measurements is actually sensitive to both the film stress and the film-thickness gradient. We present a Fresnel-Kirchhoff optical diffraction model of wafer-curvature measurements that provides a unified description of these combined effects. The model accurately simulates real-time wafer-curvature measurements of nonuniform GaN films grown on sapphire substrates by vapor-phase epitaxy. During thin-film growth, thickness gradients cause the reflected beam to oscillate asymmetrically about the ideal position defined by the stress-induced wafer curvature. This oscillating deflection has the same periodicity as the reflectance of the growing film, and the deflection amplitude is a function of the film-thickness gradient, the mean film thickness, the wavelength distribution of the light source, the illuminated spot size, and the refractive indices of the film and substrate. For typical GaN films grown on sapphire, misinterpretation of these gradient-induced oscillations can cause stress-measurement errors that approach 10% of the stress-thickness product; much greater errors occur in highly nonuniform films. Only transparent films can exhibit substantial gradient-induced deflections; strongly absorbing films are immune. (C) 2004 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lee, SR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM srlee@sandia.gov NR 16 TC 10 Z9 11 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2004 VL 95 IS 7 BP 3453 EP 3465 DI 10.1063/1.1650882 PG 13 WC Physics, Applied SC Physics GA 805BV UT WOS:000220342700030 ER PT J AU Yang, P Rodriguez, MA Burns, GR Stavig, ME Moore, RH AF Yang, P Rodriguez, MA Burns, GR Stavig, ME Moore, RH TI Electric field effect on the rhombohedral-rhombohedral phase transformation in tin modified lead zirconate titanate ceramics SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FERROELECTRIC PHASES; SOLUTION SERIES; TEMPERATURE; STABILITY; BOUNDARY AB The ferroelectric-to-ferroelectic phase transformation between the high temperature (FERH) and the low temperature (FERL) rhomobohedral phases in lead based perovskite under the dc bias conditions was investigated. Dielectric measurements show that an external electric field stabilizes the FERL phase and moves the phase transformation to a higher temperature. The observation has been further verified by an in situ microfocused x-ray study where an external field can effectively induce the oxygen octahedral tilting in the crystalline lattice and extends the thermal stability region of the FERL phase to a higher temperature. An analysis based on the combination of the Clausius-Clapeyron relationship with lattice dynamic principles suggests that the transformation from FERH to FERL is driven by a short-range interaction in the crystalline lattice. The origin of this short-range interaction is proposed, based on the structural evolution during the phase transformation. Experimental evidence suggests that such interaction driving the structural instability can be exploited by an external electric field near the phase transformation temperature and leads to an unusual, transient field-enhanced deformation near the FERH/FERL phase transformation. (C) 2004 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yang, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pyang@sandia.gov NR 24 TC 9 Z9 9 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2004 VL 95 IS 7 BP 3626 EP 3632 DI 10.1063/1.1650893 PG 7 WC Physics, Applied SC Physics GA 805BV UT WOS:000220342700058 ER PT J AU Zhang, X Hundley, MF Malinowski, A Misra, A Wang, H Nastasi, M AF Zhang, X Hundley, MF Malinowski, A Misra, A Wang, H Nastasi, M TI Microstructure and electronic properties of Cu/Mo multilayers and three-dimensional arrays of nanocrystalline Cu precipitates embedded in a Mo matrix SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID METALLIC-FILMS; DEPOSITION; DNA AB Nanostructured Cu/Mo multilayers were prepared by magnetron sputtering. The thickness of the Cu layer was kept constant at 0.6 nm, while the thickness of the Mo layers varied from 2.5 to 20 nm for different specimens. The Cu layers exhibit a body centered cubic (bcc) structure and the interface between Cu and Mo remains sharp and planar in all specimens. Annealing of a Cu 0.6 nm/Mo 20 nm multilayer produced three-dimensional arrays of Cu nanoparticles lying along the previous interface. These Cu nanoparticles have an average particle size of roughly 2 nm with a bcc structure. Temperature-dependent resistivity measurements in as-deposited and annealed samples are reported. These data indicate that carrier scattering changes markedly as the system evolves from one that consists predominantly of planar interfaces to one dominated by spherical scattering centers. (C) 2004 American Institute of Physics. C1 Univ Calif Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Zhang, X (reprint author), Univ Calif Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM zhangx@lanl.gov RI Misra, Amit/H-1087-2012; Zhang, Xinghang/H-6764-2013; Wang, Haiyan/P-3550-2014; Malinowski, Artur/A-2184-2015 OI Zhang, Xinghang/0000-0002-8380-8667; Wang, Haiyan/0000-0002-7397-1209; Malinowski, Artur/0000-0003-3771-9353 NR 20 TC 5 Z9 5 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2004 VL 95 IS 7 BP 3644 EP 3648 DI 10.1063/1.1649795 PG 5 WC Physics, Applied SC Physics GA 805BV UT WOS:000220342700061 ER PT J AU Warmsingh, C Yoshida, Y Readey, DW Teplin, CW Perkins, JD Parilla, PA Gedvilas, LM Keyes, BM Ginley, DS AF Warmsingh, C Yoshida, Y Readey, DW Teplin, CW Perkins, JD Parilla, PA Gedvilas, LM Keyes, BM Ginley, DS TI High-mobility transparent conducting Mo-doped In2O3 thin films by pulsed laser deposition SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INDIUM-TIN-OXIDE AB Highly conductive and transparent Mo-doped indium oxide (IMO) thin films were grown on glass and (100) yttria-stabilized zirconia (YSZ) single-crystal substrates by pulsed laser deposition. The electrical, optical, and structural properties were measured for films grown from 0, 1, 2, and 4 wt % Mo-doped targets. Films grown from the 2 wt % Mo-doped target had the best overall properties. In particular, for biaxially textured 2 wt % Mo IMO films grown on (100) YSZ, the conductivity was similar to3000 S cm-1 with a mobility greater than 95 cm2 V-1 s-1. In the visible, the optical transmittance normalized to the substrate was greater than 90%. (C) 2004 American Institute of Physics. C1 Colorado Sch Mines, Golden, CO 80401 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Warmsingh, C (reprint author), Colorado Sch Mines, Golden, CO 80401 USA. EM john_perkins@nrel.gov NR 11 TC 75 Z9 87 U1 3 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2004 VL 95 IS 7 BP 3831 EP 3833 DI 10.1063/1.1646468 PG 3 WC Physics, Applied SC Physics GA 805BV UT WOS:000220342700093 ER PT J AU Billesbach, DP Fischer, ML Torn, MS Berry, JA AF Billesbach, DP Fischer, ML Torn, MS Berry, JA TI A portable eddy covariance system for the measurement of ecosystem-atmosphere exchange of CO2, water vapor, and energy SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article ID FLUXES; HEAT AB To facilitate the study of flux heterogeneity within a region, the authors have designed and field-tested a portable eddy covariance system to measure exchange of CO2, water vapor, and energy between the land surface and the atmosphere. The combination of instrumentation used in this system allows high precision flux measurements without requiring on-site infrastructure such as prepositioned towers or line power. In addition, the system contains sensors to measure a suit of soil, climatic, and energy-related parameters that are needed to quality control the fluxes and to characterize the flux footprint. The physical design and instrument packaging used in the system allows for simple transport ( fits in a standard minivan) and for rapid deployment with a minimal number of field personnel ( usually less than a day for one person). The power requirement for the entire system ( instruments and data loggers) is less than 35 W, which is provided by a companion solar power system. Side-by-side field comparisons between this system and two permanent AmeriFlux sites and between the roving AmeriFlux intercomparison system are described here. Results of these comparisons indicate that the portable system is capable of absolute flux resolutions of about +/-1.2 mumol m(-2) s(-1) for CO2, +/-15 W m(-2) for LE, +/-7 W m(-2) for H, and +/-0.06 m s(-1) for u* between any given 30-min averaging periods. It is also found that, compared to a permanent Ameriflux site, the relative accuracy of this flux estimates is between 1% and 7%. Based on these results, it is concluded that this portable system is capable of making ecosystem flux measurements with an accuracy and precision comparable to most permanent AmeriFlux systems. C1 Univ Nebraska, Dept Biol Syst Engn, Lincoln, NE 68583 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Isotope Geochem, Berkeley, CA 94720 USA. Carnegie Inst Washington, Dept Plant Biol, Stanford, CA 94305 USA. RP Billesbach, DP (reprint author), Univ Nebraska, Dept Biol Syst Engn, Lincoln, NE 68583 USA. EM dbillesbach1@unl.edu RI Berry, Joseph/B-8211-2009; Torn, Margaret/D-2305-2015 OI Berry, Joseph/0000-0002-5849-6438; NR 13 TC 22 Z9 22 U1 0 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD APR PY 2004 VL 21 IS 4 BP 639 EP 650 DI 10.1175/1520-0426(2004)021<0639:APECSF>2.0.CO;2 PG 12 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA 809PL UT WOS:000220648500009 ER PT J AU Pizarro, SA Visser, H Cinco, RM Robblee, JH Pal, S Mukhopadhyay, S Mok, HJ Sauer, K Wieghardt, K Armstrong, WH Yachandra, VK AF Pizarro, SA Visser, H Cinco, RM Robblee, JH Pal, S Mukhopadhyay, S Mok, HJ Sauer, K Wieghardt, K Armstrong, WH Yachandra, VK TI Chloride ligation in inorganic manganese model compounds relevant to Photosystem II studied using X-ray absorption spectroscopy SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Article DE chloride cofactor; K-edge absorption; manganese EXAFS; Photosystem II ID OXYGEN-EVOLVING COMPLEX; PHOTOSYNTHETIC WATER OXIDATION; CRYSTAL-STRUCTURE; FINE-STRUCTURE; CENTERED OXIDATION; CLUSTER; STATE; ANIONS; RESOLUTION; EVOLUTION AB Chloride ions are essential for proper function of the photosynthetic oxygen-evolving complex (OEC) of Photosystem II (PS II). Although proposed to be directly ligated to the Mn cluster of the OEC, the specific structural and mechanistic roles of chloride remain unresolved. This study utilizes X-ray absorption spectroscopy (XAS) to characterize the Mn-Cl interaction in inorganic compounds that contain structural motifs similar to those proposed for the OEC. Three sets of model compounds are examined; they possess core structures (Mn3O4X)-O-IV (X=Cl, F, or OH) that contain a di-mu-oxo and two mono-mu-oxo bridges or (Mn2O2X)-O-IV (X=Cl, F, OH, OAc) that contain a di-mu-oxo bridge. Each set of compounds is examined for changes in the XAS spectra that are attributable to the replacement of a terminal OH or F ligand, or bridging OAc ligand, by a terminal Cl ligand. The X-ray absorption near edge structure (XANES) shows changes in the spectra on replacement of OH, OAc, or F by Cl ligands that are indicative of the overall charge of the metal atom and are consistent with the electronegativity of the ligand atom. Fourier transforms (FTs) of the extended X-ray absorption fine structure (EXAFS) spectra reveal a feature that is present only in compounds where chloride is directly ligated to Mn. These FT features were simulated using various calculated Mn-X interactions (X=O, N, Cl, F), and the best fits were found when a Mn-Cl interaction at a 2.2-2.3 Angstrom bond distance was included. There are very few high-valent Mn halide complexes that have been synthesized, and it is important to make such a comparative study of the XANES and EXAFS spectra because they have the potential for providing information about the possible presence or absence of halide ligation to the Mn cluster in PS II. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Melvin Calvin Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Boston Coll, Dept Chem, Eugene F Merkert Chem Ctr, Chestnut Hill, MA 02467 USA. Max Planck Inst Bioorgan Chem, D-45413 Mulheim, Germany. RP Yachandra, VK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Melvin Calvin Lab, Berkeley, CA 94720 USA. EM vkyachandra@lbl.gov RI Wieghardt, Karl/B-4179-2014; OI Pal, Samudranil/0000-0003-0217-8841 FU NIGMS NIH HHS [GM-55302, R01 GM055302, R56 GM055302] NR 33 TC 7 Z9 7 U1 0 U2 3 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0949-8257 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD APR PY 2004 VL 9 IS 3 BP 247 EP 255 DI 10.1007/s00775-003-0520-1 PG 9 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA 812TN UT WOS:000220861900001 PM 14758524 ER PT J AU Kinney, JH Gladden, JR Marshall, GW Marshall, SJ So, JH Maynard, JD AF Kinney, JH Gladden, JR Marshall, GW Marshall, SJ So, JH Maynard, JD TI Resonant ultrasound spectroscopy measurements of the elastic constants of human dentin SO JOURNAL OF BIOMECHANICS LA English DT Article DE dentin; calcified tissues; mechanical properties; resonant ultrasound spectroscopy; elastic constants ID MODULI AB The technique of resonant ultrasound spectroscopy (RUS) was used to measure the second-order elastic constants of hydrated human dentin. Specimens were placed between two transducers, and the resonant frequencies of vibration were measured between 0.5 and 1.4 MHz. The elastic constants determined from the measured resonant frequencies in hydrated dentin exhibited slight hexagonal anisotropy, with the stiffest direction being perpendicular to the axis of the tubules (E-11 = 25.1 GPa). This hexagonal anisotropy was small (E-33/E-11 = 0.92), and almost disappeared when the specimens were dried. In addition, there was a pronounced anisotropy in the Poisson's ratio of wet dentin: nu(21) = 0.45; nu(31) = 0.29. With drying in air, this anisotropy vanished: nu(21) = nu(31) = 0.29. The isotropic Young's modulus of dried dentin was 28.1 GPa. RUS shows promise for determining the elastic constants in mineralized tissues. (C) 2003 Elsevier Ltd. All rights reserved. C1 Univ Calif San Francisco, Dept Prevent & Restorat Dent Sci, Div Biomat & Bioengn, San Francisco, CA 94143 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. RP Kinney, JH (reprint author), Lawrence Livermore Natl Lab, Dept Mech Engn, 7000 E Ave, Livermore, CA 94551 USA. EM kinney3@llnl.gov FU NIDCR NIH HHS [P01 DE09859] NR 20 TC 73 Z9 81 U1 0 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-9290 J9 J BIOMECH JI J. Biomech. PD APR PY 2004 VL 37 IS 4 BP 437 EP 441 DI 10.1016/j.jbiomech.2003.09.028 PG 5 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA 803NA UT WOS:000220236600002 PM 14996555 ER PT J AU Daughdrilll, GW Vise, PD Zhou, HJ Yang, XM Yu, WF Tasayco, ML Lowry, DF AF Daughdrilll, GW Vise, PD Zhou, HJ Yang, XM Yu, WF Tasayco, ML Lowry, DF TI Reduced spectral density mapping of a partially folded fragment of E-coli thioredoxin SO JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS LA English DT Article DE spectral density; backbone dynamics; hydrodynamic volume; thioredoxin ID BACKBONE DYNAMICS; NMR ANALYSIS; EGLIN-C; RELAXATION; PROTEINS; PEPTIDE; STATES; DNA AB The backbone dynamics of a partially folded, N-terminal fragment of E. coli thioredoxin were investigated using nuclear magnetic resonance spectroscopy (NMR). Relaxation data were collected at three temperatures and analyzed using reduced spectral density mapping. As temperature was increased, the values for the viscosity normalized J(0) and for J(omega(H)) increased, while J(omega(N)) decreased. The global trend observed for the viscosity normalized J(0) was consistent with an increase in the hydrodynamic volume of the fragment and suggested the presence of correlated rotational motion in the absence of long range interactions. In addition, the residue specific variation observed for the viscosity normalized J(0) suggested contributions to J(omega) from a range of correlation times that are close to the global correlation time. C1 Univ Idaho, Dept Microbiol Mol Biol & Biochem, Moscow, ID 83844 USA. Geneformat Inc, San Diego, CA 92121 USA. CUNY City Coll, Dept Chem, New York, NY 10031 USA. Pacific NW Natl Lab, Environm Moil Sci Lab, Richland, WA 99352 USA. RP Daughdrilll, GW (reprint author), Univ Idaho, Dept Microbiol Mol Biol & Biochem, POB 443052,Life Sci S Rm 142, Moscow, ID 83844 USA. EM gdaugh@uidaho.edu NR 18 TC 4 Z9 4 U1 0 U2 1 PU ADENINE PRESS PI SCHENECTADY PA 2066 CENTRAL AVE, SCHENECTADY, NY 12304 USA SN 0739-1102 J9 J BIOMOL STRUCT DYN JI J. Biomol. Struct. Dyn. PD APR PY 2004 VL 21 IS 5 BP 663 EP 670 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 802UH UT WOS:000220187900006 PM 14769059 ER PT J AU Liu, HC Iglesia, E AF Liu, HC Iglesia, E TI Effects of support on bifunctional methanol oxidation pathways catalyzed by polyoxometallate Keggin clusters SO JOURNAL OF CATALYSIS LA English DT Article DE methanol oxidation; Keggin structures; support effects; methyl formate synthesis; zirconia ID DIMETHYL ETHER OXIDATION; X-RAY-DIFFRACTION; 12-MOLYBDOPHOSPHORIC ACID; HETEROPOLY COMPOUNDS; THERMAL-BEHAVIOR; REACTIVITY; SILICA; RAMAN; DEHYDROGENATION; FORMALDEHYDE AB H5PV2MO10O40 polyoxometallate Keggin clusters supported on ZrO2, TiO2, SiO2, and Al2O3 are effective catalysts for CH3OH oxidation reactions to form HCHO, methyl formate (MF), and dimethoxymethane (DMM). Rates and selectivities and the structure of supported clusters depend on the surface properties of the oxide supports. Raman spectroscopy showed that Keggin structures remained essentially intact on ZrO2, TiO2, and SiO2 after treatment in air at 553 K, but decomposed to MoOx and VOx oligomers on Al2O3. Accessible protons per Keggin unit (KU) were measured during CH3OH oxidation by titration with 2,6-di-tert-butyl pyridine. For similar KU surface densities (0.28-0.37 KU/nm(2)), the number of accessible protons was larger on SiO2 than on ZrO2 and TiO2 and much smaller on Al2O3 supports, even though residual dimethyl ether (DME) synthesis rates after titrant saturation indicated that the fractional dispersion of KU was similar on the first three supports. These effects of support on structure and on H+ accessibility reflect varying extents of interaction between polyoxometallate clusters and supports. Rates of CH3OH oxidative dehydrogenation per KU were higher on ZrO2 and TiO2 than on SiO2 at similar KU surface densities (0.28-0.37 KU/nm(2)) and dispersion, indicating that redox properties of Keggin clusters depend on the identity of the support used to disperse them. ZrO2 and TiO2 supports appear to enhance the reducibility of anchored polyoxometallate clusters. Rates were much lower on Al2O3, because structural degradation led to less reactive MoOx and VOx domains. CH3OH reactions involve primary oxidation to form HCHO and subsequent secondary reactions to form DMM and MF. These reactions involve HCHO-CH3OH acetalization leading to methoxy in ethanol (CH3OCH2OH) or hemiacetal intermediates, which condense with CH3OH on acid sites to form DMM or dehydrogenate to form MF. COx formation rates are much lower than those of other reactions, and DME forms in parallel pathways catalyzed by acid sites. Secondary reactions leading to DMM and MF are strongly influenced by the chemical properties of support surfaces. Acidic SiO2 surfaces favored DMM formation, while amphoteric or dehydrogenating surfaces on ZrO2 and TiO2 led to MF formation, as a result of the varying role of each Support in directing the reactions of HCHO and CH3OH and of the CH3OCH2OH intermediates toward DMM or MF, which was confirmed using physical catalyst-pure support mixtures. These Support effects reflect the bifunctional pathways of CH3OH reactions. These pathways are consistent with the effects of residence time and of the partial removal of H+ sites by titration using 2,6-di-tert-butyl pyridine. (C) 2004 Published by Elsevier Inc. C1 Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Iglesia, E (reprint author), Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM iglesia@cchem.berkeley.edu RI Iglesia, Enrique/D-9551-2017 OI Iglesia, Enrique/0000-0003-4109-1001 NR 25 TC 55 Z9 61 U1 2 U2 32 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD APR 1 PY 2004 VL 223 IS 1 BP 161 EP 169 DI 10.1016/j.jcat.2004.01.012 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 810TP UT WOS:000220726900017 ER PT J AU Toupadakis, A Scott, BL Kubas, GJ AF Toupadakis, A Scott, BL Kubas, GJ TI Structure of the first homoleptic manganese-phosphine complex, [Mn(Me2PC2H4PMe2)(3)][BF4] SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE manganese complex; homoleptic; diphosphine ligand; bidentate; tris(chelate); fluoroborate ID CRYSTAL-STRUCTURE; CHROMIUM; MOLYBDENUM; TANTALUM; VANADIUM; TUNGSTEN; NIOBIUM AB The crystal structure of the first homoleptic manganese-phosphine complex, [Mn(Me2PC2H4PMe2)(3)][BF4], has been determined. This complex, previously synthesized as a PF6 salt characterized only by NMR spectroscopy, is a by-product of reaction of MnH3(Me2PC2H4PMe2)(2) with [Ag(CH3CN)(4)][BF4]. It crystallizes in the trigonal system, space group P31c and Z=2. The structure shows 3 chelating diphosphine ligands coordinating to the central manganese cation in octahedral fashion. The Mn-P distances are essentially equivalent within 3sigma: each diphosphine has Mn-P=2.283(3) and 2.290(3)Angstrom, where the "short" and "long" distances are trans to each other. The "bite angle" for each diphosphine is 83.57(9)degrees, Lattice parameters: a=9.954(2) Angstrom, b=9.954(2) Angstrom, c=16.416(2) Angstrom. Unit cell volume: 1408.6(4) Angstrom(3). C1 Los Alamos Natl Lab, C SIC, Los Alamos, NM 87545 USA. RP Kubas, GJ (reprint author), Los Alamos Natl Lab, C SIC, MS-J514, Los Alamos, NM 87545 USA. EM Kubas@lanl.gov RI G, Neela/H-3016-2014; Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 14 TC 2 Z9 2 U1 0 U2 3 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD APR PY 2004 VL 34 IS 4 BP 245 EP 248 DI 10.1023/B:JOCC.0000022422.09931.39 PG 4 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA 808XG UT WOS:000220601200003 ER PT J AU Chi, XL Scott, B Lawes, G Ramirez, AP AF Chi, XL Scott, B Lawes, G Ramirez, AP TI Synthesis and crystal structure of charge-transfer salt (BEDT-TTF) [Pt(mnt)(2)] SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE BEDT-TTF; charge-transfer salt; organic conductor; side-by-side; crystal structure; Pt(mnt)(2) ID METAL-INSULATOR-TRANSITION; CONDUCTION; COMPLEXES AB The synthesis and crystal structure of the title organic charge-transfer salt (BEDT-TTF)[Pt(mnt)(2)] (BEDT-TTF=bis(ethylenedithio) tetrathiafulvalene; mnt=cis- 3,4-dimercapto-2-butenedinitrile) is described. The salt crystallizes in the P1 space group with a=6.728(2) Angstrom, b=7.371(2) Angstrom, c=13.596(4) Angstrom, alpha=97.904(5)degrees, beta=90.114(5)degrees, and gamma=108.147(5)degrees. The stoichiometry between BEDT-TTF and [Pt(mnt)(2)] is 1:1. The bond length of the central C=C bond in a BEDT-TTF ion is 1.398 (16) Angstrom, indicating an oxidation state of +1 in BEDT-TTF ion. The structure consists of layers of BEDT-TTF and Pt(mnt)(2) along the c axis. Within each layer, both BEDT-TTF and Pt(mnt)(2) ions form segregated stacks. The stacking is not in a face-to-face manner, but instead, is through a side-by-side arrangement along the a axis, with closest S...S contacts of 3.461(3) Angstrom between neighboring BEDT-TTF ions. The structure is consistent with the semiconducting behavior found in the solid. C1 Los Alamos Natl Lab, MISL, Los Alamos, NM USA. Los Alamos Natl Lab, C SIC, Los Alamos, NM USA. RP Chi, XL (reprint author), Columbia Univ, Appl Phys & Appl Math Dept, 500 W 120 St,Room 200 Mudd,MC 4701, New York, NY 10027 USA. EM xc2114@columbia.edu RI G, Neela/H-3016-2014; Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 21 TC 8 Z9 8 U1 0 U2 0 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD APR PY 2004 VL 34 IS 4 BP 249 EP 253 DI 10.1023/B:JOCC.0000022423.16112.ff PG 5 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA 808XG UT WOS:000220601200004 ER PT J AU Dabkowska, I Rak, J Gutowski, M Nilles, JM Stokes, ST Bowen, KH AF Dabkowska, I Rak, J Gutowski, M Nilles, JM Stokes, ST Bowen, KH TI Barrier-free intermolecular proton transfer induced by excess electron attachment to the complex of alanine with uracil SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL METHODS; LOW-ENERGY ELECTRONS; DIPOLE-BOUND ANIONS; GAUSSIAN-TYPE BASIS; AB-INITIO; PHOTOELECTRON-SPECTROSCOPY; ORGANIC-MOLECULES; AMINO-ACIDS; DNA; AFFINITIES AB The photoelectron spectrum of the uracil-alanine anionic complex (UA)(-) has been recorded with 2.540 eV photons. This spectrum reveals a broad feature with a maximum between 1.6 and 2.1 eV. The vertical electron detachment energy is too large to be attributed to an (UA)(-) anionic complex in which an intact uracil anion is solvated by alanine, or vice versa. The neutral and anionic complexes of uracil and alanine were studied at the B3LYP and second-order Moller-Plesset level of theory with 6-31++G** basis sets. The neutral complexes form cyclic hydrogen bonds and the three most stable neutral complexes are bound by 0.72, 0.61, and 0.57 eV. The electron hole in complexes of uracil with alanine is localized on uracil, but the formation of a complex with alanine strongly modulates the vertical ionization energy of uracil. The theoretical results indicate that the excess electron in (UA)(-) occupies a pi* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of alanine to the O8 atom of uracil. As a result, the four most stable structures of the uracil-alanine anionic complex can be characterized as a neutral radical of hydrogenated uracil solvated by a deprotonated alanine. Our current results for the anionic complex of uracil with alanine are similar to our previous results for the anion of uracil with glycine [Eur. Phys. J. D 20, 431 (2002)], and together they indicate that the BFPT process is not very sensitive to the nature of the amino acid's hydrophobic residual group. The BFPT to the O8 atom of uracil may be relevant to the damage suffered by nucleic acid bases due to exposure to low energy electrons. (C) 2004 American Institute of Physics. C1 Univ Gdansk, Dept Chem, PL-80952 Gdansk, Poland. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. RP Dabkowska, I (reprint author), Univ Gdansk, Dept Chem, Sobieskiego 18, PL-80952 Gdansk, Poland. EM maciej.gutowski@pnl.gov NR 39 TC 40 Z9 40 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 1 PY 2004 VL 120 IS 13 BP 6064 EP 6071 DI 10.1063/1.1666042 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 803ZN UT WOS:000220269100026 PM 15267490 ER PT J AU Barrero, A Lopez-Herrera, JM Boucard, A Loscertales, IG Marquez, M AF Barrero, A Lopez-Herrera, JM Boucard, A Loscertales, IG Marquez, M TI Steady cone-jet electrosprays in liquid insulator baths SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article ID UNIVERSAL SCALING LAWS; VISCOUS-LIQUIDS; ELECTRIC-FIELDS; MU-M; CHARGE; MODE; GENERATION; DROPLETS; DIAMETER; SIZE AB This study shows that conducting liquids can be electrosprayed in steady cone-jet mode inside liquid insulator baths. Experimental results show that the current emitted from the meniscus fits well the scaling laws given in the literature for electrosprays in air at atmospheric pressure or vacuum. The technique may be of interest in obtaining fine liquid-liquid emulsions of uniformly sized droplets in the nanometric range. (C) 2003 Elsevier Inc. All rights reserved. C1 Univ Sevilla, Escuela Super Ingn, Seville 41092, Spain. YFLOW SL, Seville 41018, Spain. Univ Malaga, Escuela Tecn Super Ingn Ind, Malaga 29013, Spain. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. NIST, Computat Chem Grp, Phys & Chem Properties Div, Gaithersburg, MD 20899 USA. Kraft Foods R&D, Nanotechnol Lab, Glenview, IL 60025 USA. RP Barrero, A (reprint author), Univ Sevilla, Escuela Super Ingn, Camino Descubrimientos S-N, Seville 41092, Spain. EM barrero@eurus2.us.es OI Lopez-Herrera, Jose/0000-0002-3063-8676 NR 25 TC 42 Z9 45 U1 1 U2 15 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD APR 1 PY 2004 VL 272 IS 1 BP 104 EP 108 DI 10.1016/j.jcis.2003.10.035 PG 5 WC Chemistry, Physical SC Chemistry GA 800PO UT WOS:000220040400013 PM 14985028 ER PT J AU Crivelli, S Kreylos, O Hamann, B Max, N Bethel, W AF Crivelli, S Kreylos, O Hamann, B Max, N Bethel, W TI ProteinShop: A tool for interactive protein manipulation and steering SO JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN LA English DT Article DE interactive methods; inverse kinematics; molecular visualization; protein manipulation ID MOLECULAR-DYNAMICS; PROGRAM; VISUALIZATION AB We describe ProteinShop, a new visualization tool that streamlines and simplifies the process of determining optimal protein folds. ProteinShop may be used at different stages of a protein structure prediction process. First, it can create protein configurations containing secondary structures specified by the user. Second, it can interactively manipulate protein fragments to achieve desired folds by adjusting the dihedral angles of selected coil regions using an Inverse Kinematics method. Last, it serves as a visual framework to monitor and steer a protein structure prediction process that may be running on a remote machine. ProteinShop was used to create initial configurations for a protein structure prediction method developed by a team that competed in CASP5. ProteinShop's use accelerated the process of generating initial configurations, reducing the time required from days to hours. This paper describes the structure of ProteinShop and discusses its main features. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Comp Res Div, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. RP Crivelli, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Comp Res Div, Berkeley, CA 94720 USA. EM SNCrivelli@lbl.gov FU NIMH NIH HHS [P20 MH60975-06A2] NR 23 TC 15 Z9 15 U1 0 U2 1 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-654X J9 J COMPUT AID MOL DES JI J. Comput.-Aided Mol. Des. PD APR PY 2004 VL 18 IS 4 BP 271 EP 285 DI 10.1023/B:JCAM.0000046822.54719.4f PG 15 WC Biochemistry & Molecular Biology; Biophysics; Computer Science, Interdisciplinary Applications SC Biochemistry & Molecular Biology; Biophysics; Computer Science GA 871LD UT WOS:000225134300005 PM 15562991 ER PT J AU Zudans, I Paddock, JR Kuramitz, H Maghasi, AT Wansapura, CM Conklin, SD Kaval, N Shtoyko, T Monk, DJ Bryan, SA Hubler, TL Richardson, JN Seliskar, CJ Heineman, WR AF Zudans, I Paddock, JR Kuramitz, H Maghasi, AT Wansapura, CM Conklin, SD Kaval, N Shtoyko, T Monk, DJ Bryan, SA Hubler, TL Richardson, JN Seliskar, CJ Heineman, WR TI Electrochemical and optical evaluation of noble metal- and carbon-ITO hybrid optically transparent electrodes SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Article DE optically transparent electrodes; cyclic voltammetry; metal films; absorbance; spectroelectrochemistry ID INDIUM-TIN-OXIDE; INTERNAL REFLECTION SPECTROMETRY; THIN-FILMS; SINGLE DEVICE; IN-SITU; SPECTROSCOPIC ELLIPSOMETRY; SURFACE; MICROSTRUCTURE; INTERFACES; GLASS AB Optically transparent hybrid electrodes were constructed by sputtering or thermally evaporating layers of varying thickness of An, Pd, Pt. or C onto an existing conductive indium-tin oxide (ITO) layer on glass. These electrodes were characterized using UV-Vis spectroscopy and cyclic voltammetry; redox probes examined were potassium ferricyanide, tris-(2,2'-bipyridyl)ruthenium(II) chloride, hydroquinone, and para-aminophenol (PAP). Each type of hybrid was evaluated and compared with other hybrids, as well as with bare ITO electrodes and commercially available Au, Pt, and glassy carbon disk electrodes. Our results indicate that these hybrid electrodes are reasonably robust, easy to prepare, and extend the capabilities of bare ITO surfaces with respect to the electrochemical response (especially for organic redox probes), while giving up little in the way of optical transparency. Because of these characteristics, hybrid electrodes should be especially suited to many spectroelectrochemical applications. (C) 2003 Elsevier B.V. All rights reserved. C1 Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA. Pacific NW Natl Lab, Radiochem Proc Lab, Richland, WA 99352 USA. Shippensburg Univ, Dept Chem, Shippensburg, PA 17257 USA. RP Seliskar, CJ (reprint author), Univ Cincinnati, Dept Chem, POB 210172, Cincinnati, OH 45221 USA. EM Carl.Seliskar@UC.edu; William.Heineman@uc.edu RI Bryan, Samuel/D-5457-2015 OI Bryan, Samuel/0000-0001-5664-3249 NR 45 TC 43 Z9 43 U1 1 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1572-6657 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD APR PY 2004 VL 565 IS 2 BP 311 EP 320 DI 10.1016/j.jelechem.2003.10.025 PG 10 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 810KY UT WOS:000220704400017 ER PT J AU Wills, JM Eriksson, O Delin, A Andersson, PH Joyce, JJ Durakiewicz, T Butterfield, MT Arko, AJ Moore, DP Morales, LA AF Wills, JM Eriksson, O Delin, A Andersson, PH Joyce, JJ Durakiewicz, T Butterfield, MT Arko, AJ Moore, DP Morales, LA TI A novel electronic configuration of the 5f states in delta-plutonium as revealed by the photo-electron spectra SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE electronic structure; 5f electrons; photoemission experiment; theory ID PU; PHOTOEMISSION; SPECTROSCOPY; LOCALIZATION; PICTURE AB We present a theoretical model, the mixed-level model, aiming at describing metals with very complex, strongly correlated, electronic structures. As a demonstration, it is applied to the electronic structure of delta-Pu. The model reproduces the electronic-structure related properties of this complex metal; in particular, the theory is capable of reproducing the valence band photoemission spectrum of delta-Pu. We also report new experimental photoemission spectra at several photon energies. Taken together, our results provide strong evidence that the electronic structure of delta-Pu involves a 5f shell with four electrons in a localized multiplet hybridizing with valence states, and approximately one 5f electron forming a completely delocalized band state. (C) 2004 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. Uppsala Univ, Dept Phys, Uppsala, Sweden. Abdus Salaam Int Ctr Theoret Phys, I-34100 Trieste, Italy. Swedish Def Res Agcy FOI, S-17290 Sundbyberg, Sweden. Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87544 USA. Los Alamos Natl Lab, Div Nucl Mat Technol, Los Alamos, NM 87544 USA. RP Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM olle.eriksson@fysik.uu.se RI Eriksson, Olle/E-3265-2014; Delin, Anna/P-2100-2014 OI Eriksson, Olle/0000-0001-5111-1374; Delin, Anna/0000-0001-7788-6127 NR 25 TC 63 Z9 63 U1 3 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD APR PY 2004 VL 135 IS 2-3 BP 163 EP 166 DI 10.1016/j.elspec.2004.02.169 PG 4 WC Spectroscopy SC Spectroscopy GA 840SD UT WOS:000222878900011 ER PT J AU Chakrabarti, S Fathpour, S Moazzami, F Phillips, J Lei, Y Browning, N Bhattacharya, P AF Chakrabarti, S Fathpour, S Moazzami, F Phillips, J Lei, Y Browning, N Bhattacharya, P TI Pulsed laser annealing of self-organized InAs/GaAs quantum dots SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE quantum dots; self-organized epitaxy; laser annealing ID INGAAS; CAP AB The effect of pulsed laser annealing (PLA), using an excimer laser, on the luminescence efficiency of self-organized InAs/GaAs and In0.4Ga0.6As/GaAs quantum dots has been investigated. It is found that such annealing can enhance both the peak and integrated photoluminescence (PL) efficiency of the dots, up to a factor of 5-10 compared to as-grown samples, without any spectral shift of the luminescence spectrum. The improved luminescence is attributed to the annealing of nonradiative point and extended defects in and around the dots. C1 Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. Univ Illinois, Dept Phys, Chicago, IL 60607 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Chakrabarti, S (reprint author), Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. EM pkb@eecs.umich.edu RI Phillips, Jamie/E-9394-2010 NR 13 TC 8 Z9 8 U1 0 U2 3 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD APR PY 2004 VL 33 IS 4 BP L5 EP L8 DI 10.1007/s11664-004-0147-1 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 811ZV UT WOS:000220810700018 ER PT J AU Dizon, MB Yang, J Cheung, FB Rempe, JL Suh, KY Kim, SB AF Dizon, MB Yang, J Cheung, FB Rempe, JL Suh, KY Kim, SB TI Effects of surface coating on the critical heat flux for pool boiling from a downward facing surface SO JOURNAL OF ENHANCED HEAT TRANSFER LA English DT Article DE downward facing boiling; critical heat flux; survace coating ID MICROPOROUS COATED SURFACES; SATURATED FC-72; ORIENTATION AB As part of a joint U.S.-Korean International Nuclear Engineering Research Initiative investigating methods to enhance external reactor vessel cooling (ERVC) under severe accident conditions, it was proposed that surface coating be used to enhance the critical heat flux (CHF) for downward facing boiling. Toward this end, metallic microporous coatings were selected, and different compositions of the coating material were evaluated, in order to obtain a mixture with desirable qualities. Durability and adhesion tests were also done to study the performance of each of the resulting coatings. Quenching of the candidate coatings was then conducted under downward facing boiling conditions, using hemispherical test vessels to obtain the local boiling curves. Compared to a plain vessel surface under identical experimental conditions, considerable enhancement was observed in the critical heat flux for vessels with surface coatings. Optical and SEM (Scanning Electron Microscope) photos showed that the candidate coating possessed the desired porous microstructure with interconnecting channels and pores, leading to appreciable increases in the local CHF limits. C1 Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. Idaho Natl Lab, Idaho Falls, ID USA. Seoul Natl Univ, Dept Nucl Engn, Seoul, South Korea. Korea Atom Energy Res Inst, Taejon, South Korea. RP Dizon, MB (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. EM fxc4@psu.edu OI Rempe, Joy/0000-0001-5527-3549 NR 14 TC 14 Z9 14 U1 0 U2 7 PU BEGELL HOUSE INC PI DANBURY PA 50 NORTH ST, DANBURY, CT 06810 USA SN 1065-5131 EI 1563-5074 J9 J ENHANC HEAT TRANSF JI J. Enhanc. Heat Transf. PD APR-JUN PY 2004 VL 11 IS 2 BP 133 EP 150 DI 10.1615/JEnhHeatTransf.v11.i2.30 PG 18 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 832OT UT WOS:000222277500003 ER PT J AU Nazaroff, WW Singer, BC AF Nazaroff, WW Singer, BC TI Inhalation of hazardous air pollutants from environmental tobacco smoke in US residences SO JOURNAL OF EXPOSURE ANALYSIS AND ENVIRONMENTAL EPIDEMIOLOGY LA English DT Article; Proceedings Paper CT 9th International Conference on Indoor Air Quality and Climate (INDOOR AIR 2002) CY JUN 30-JUL 05, 2002 CL Monterey, CA DE exposure; health risk; indoor air quality; passive smoking; second-hand smoke; toxic air contaminants ID GAS-PHASE ORGANICS; UNITED-STATES; EMISSION FACTORS; EXPOSURE; HEALTH; RATES AB In the United States, 48 million adults smoke 3.5-5 x 10(11) cigarettes/year. Many cigarettes are smoked in private residences, causing regular environmental tobacco smoke (ETS) exposure to roughly 31 million nonsmokers (11% of the US population), including 16 million juveniles. (Upper bound estimates are 53 million exposed nonsmokers including 28 million juveniles.) ETS contains many chemical species whose industrial emissions are regulated by the US federal government as hazardous air pollutants (HAPs). In this paper, average daily residential exposures to and intakes of 16 HAPs in ETS are estimated for US nonsmokers who live with smokers. The evaluation is based on material-balance modeling; utilizes published data on smoking habits, demographics, and housing; and incorporates newly reported exposure-relevant emission factors. The ratio of estimated average exposure concentrations to reference concentrations is close to or greater than one for acrolein, acetaldehyde, 1,3-butadiene, and formaldehyde, indicating potential for concern regarding noncancer health effects from chronic exposures. In addition, lifetime cancer risks from residential ETS exposure are estimated to be substantial (similar to2-500 per million) for each of five known or probable human carcinogens: acetaldehyde, formaldehyde, benzene, acrylonitrile, and 1,3-butadiene. Cumulative population intakes from residential ETS are compared for six key compounds against ambient sources of exposure. ETS is found to be a dominant source of environmental inhalation intake for acrylonitrile and 1,3-butadiene. It is an important cause of intake for acetaldehyde, acrolein, and formaldehyde, and a significant contributor to intake for benzene. C1 Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. Ernest Orlando Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. RP Nazaroff, WW (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, 633 Davis Hall, Berkeley, CA 94720 USA. EM nazaroff@ce.berkeley.edu RI Nazaroff, William/C-4106-2008 OI Nazaroff, William/0000-0001-5645-3357 NR 22 TC 70 Z9 73 U1 1 U2 15 PU NATURE PUBLISHING GROUP PI NEW YORK PA 345 PARK AVE SOUTH, NEW YORK, NY 10010-1707 USA SN 1053-4245 J9 J EXPO ANAL ENV EPID JI J. Expo. Anal. Environ. Epidemiol. PD APR PY 2004 VL 14 SU 1 BP S71 EP S77 DI 10.1038/sj.jea.7500361 PG 7 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 816SF UT WOS:000221128900010 PM 15118748 ER PT J AU Geveke, DJ Brunkhorst, C AF Geveke, DJ Brunkhorst, C TI Inactivation of Escherichia coli in apple juice by radio frequency electric fields SO JOURNAL OF FOOD SCIENCE LA English DT Article DE radio frequency; high electric fields; nonthermal; pasteurization; treatment chamber ID ORANGE JUICE; PASTEURIZATION; APPARATUS; KINETICS; AC AB Heat pasteurization may detrimentally affect the quality of fruit and vegetable juices; hence, non-thermal pasteurization methods are actively being developed. Radio frequency electric fields processing has recently been shown to inactivate yeast in water at near-ambient temperatures. The objective of this study was to extend the radio frequency electric fields (RFEF) technique to inactivate bacteria in apple juice. A converged-field treatment chamber was developed that enabled high-intensity RFEF to be applied to apple juice using a 4-kW power supply. Finite element analyses indicated that uniform fields were generated in the treatment chamber. Escherichia coli K12 in apple juice was exposed for 0.17 ms to electric field strengths of up to 26 kV/cm peak over a frequency range of 15 to 70 kHz. The population of E. coli was reduced by 1.8 log following exposure to an 18 kV/cm field at an outlet temperature of 50 degreesC. Raising the temperature increased inactivation. Intensifying the electric field up to 16 kV/cm increased inactivation; however, above this intensity, inactivation remained constant. Radio frequencies of 15 and 20 kHz inactivated E. coli better than frequencies of 30 to 70 kHz. Inactivation was independent of the initial microbial concentration between 4.3 and 6.2 log colony-forming units (CFU)/mL. Applying 3 treatment stages at 50 degreesC increased inactivation to 3 log. The electric energy for the RFEF process was 300 J/mL. The results of the present study provide the 1st evidence that RFEF processing inactivates bacteria in fruit juice at moderately low temperatures. C1 USDA, ARS, Eastern Reg Res Ctr, Food Safety Intervent Technol Res Unit, Wyndmoor, PA 19038 USA. Princeton Univ, Plasma Phys Lab, Princeton, NJ USA. RP Geveke, DJ (reprint author), USDA, ARS, Eastern Reg Res Ctr, Food Safety Intervent Technol Res Unit, Wyndmoor, PA 19038 USA. EM dgeveke@errc.ars.usda.gov NR 22 TC 7 Z9 8 U1 0 U2 2 PU INST FOOD TECHNOLOGISTS PI CHICAGO PA 525 WEST VAN BUREN, STE 1000, CHICAGO, IL 60607-3814 USA SN 0022-1147 J9 J FOOD SCI JI J. Food Sci. PD APR PY 2004 VL 69 IS 3 BP E134 EP E138 PG 5 WC Food Science & Technology SC Food Science & Technology GA 848TF UT WOS:000223489300032 ER PT J AU Monni, S Song, JS Song, YS AF Monni, S Song, JS Song, YS TI The Hurwitz enumeration problem of branched covers and Hodge integrals SO JOURNAL OF GEOMETRY AND PHYSICS LA English DT Article DE Hurwitz numbers; Hodge integrals; generating functions; descendant Gromov-Witten invariants ID RAMIFIED COVERINGS; HEDGE INTEGRALS; NUMBERS; CONJECTURE; SURFACES; SPHERE; TORUS AB We use algebraic methods to compute the simple Hurwitz numbers for arbitrary source and target Riemann surfaces. For an elliptic curve target, we reproduce the results previously obtained by string theorists. Motivated by the Gromov-Witten potentials, we find a general generating function for the simple Hurwitz numbers in terms of the representation theory of the symmetric group S, We also find a generating function for Hodge integrals on the moduli space (M) over bar (g,2) of Riemann surfaces with two marked points, similar to that found by Faber and Pandharipande for the case of one marked point. (C) 2003 Elsevier B.V. All rights reserved. C1 Stanford Univ, SLAC, Dept Phys, Stanford, CA 94305 USA. Univ Cambridge, DAMTP, Cambridge CB3 0WA, England. MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. RP Song, YS (reprint author), Univ Oxford, 1 S Pks Rd, Oxford OX1 3TG, England. EM s.monni@damtp.cam.ac.uk; jssong@alum.mit.edu; yss@stanfordalumni.org NR 22 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0393-0440 J9 J GEOM PHYS JI J. Geom. Phys. PD APR PY 2004 VL 50 IS 1-4 BP 223 EP 256 DI 10.1016/j.geomphys.2003.11.003 PG 34 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 806XH UT WOS:000220466100011 ER PT J AU Bernardin, JD Mudawar, I AF Bernardin, JD Mudawar, I TI A Leidenfrost point model for impinging droplets and sprays SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE boiling; droplet; heat transfer; impingement; phase change; sprays ID NUCLEATION SITE DENSITY; BUBBLE-GROWTH; SURFACE-ROUGHNESS; IMPACT; WATER; COLLISIONS; HISTORY AB This study presents, for impinging droplets and sprays, a model of the Leidenfrost point. (LFP); the minimum liquid/solid interface temperature required to support film boiling on a smooth surface. The present model is an extension of a previously developed sessile, drop model, based on bubble nucleation, growth, and merging criteria, as well as surface cavity size characterization [3]. The basic concept of the model is that for liquid/solid interface temperatures at and above the LFP, a sufficient number of cavities are activated and the bubble growth rates are sufficiently fast that a continuous vapor layer is established nearly instantaneously between the liquid and the solid. For impinging droplets, the influence of the rise in interfacial pressure created by the impact of the droplet with the surface, must be accounted for in determining fluid properties at the liquid-solid interface. The effect of droplet impact velocity on the LFP predicted by the model is is verified for single impinging droplets, streams of droplets, as well as sprays. While the model was developed for smooth surfaces on which the roughness asperities are of the same magnitude as the cavity radii (0.1-1.0 mum), it is capable of predicting the boundary or limiting Leiden,frost temperature for rougher surfaces with good accuracy. C1 Los Alamos Natl Lab, Int Space & Response Div, Los Alamos, NM 87545 USA. Purdue Univ, Boiling & Two Phase Flow Lab, Sch Mech Engn, W Lafayette, IN 47907 USA. RP Bernardin, JD (reprint author), Los Alamos Natl Lab, Int Space & Response Div, POB 1663, Los Alamos, NM 87545 USA. NR 26 TC 34 Z9 34 U1 1 U2 18 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD APR PY 2004 VL 126 IS 2 BP 272 EP 278 DI 10.1115/1.1652045 PG 7 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 816SV UT WOS:000221130500016 ER PT J AU Bobeth, C Gambino, P Gorbahn, M Haisch, U AF Bobeth, C Gambino, P Gorbahn, M Haisch, U TI Complete NNLO QCD analysis of (B)over-bar -> X(s)l(+)l(-) and higher order electroweak effects SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE standard model; rare decays; B-physics; NLO computations ID ANOMALOUS DIMENSION MATRIX; DILEPTON INVARIANT MASS; LEADING LOGARITHMS; STANDARD MODEL; SEMILEPTONIC-B; RARE DECAYS; ANATOMY; LOOPS; NLO AB We complete the next-to-next-to-leading order QCD calculation of the branching ratio for (B) over bar --> X(s)l(+) l(-) including recent results for the three-loop anomalous dimension matrix and two-loop matrix elements. These new contributions modify the branching ratio in the low-q(2) region, BRll, by about +1% and -4%, respectively. We furthermore discuss the appropriate normalization of the electromagnetic coupling alpha and calculate the dominant higher order electroweak effects, showing that, due to accidental cancellations, they change BRll by only -1.5% if alpha(mu) is normalized at mu = O(m(b)), while they shift it by about -8.5% if one uses a high scale normalization mu = O(M-w). The position of the zero of the forward-backward asymmetry, q(0)(2) is changed by around +2%. After introducing a few additional improvements in order to reduce the theoretical error, we perform a comprehensive study of the uncertainty. We obtain BRll (1 GeV2 less than or equal to q(2) less than or equal to 6 GeV2) = (1.57 +/- 0.16) x 10(-6) and q(0)(2) = (3.76 +/- 0.33) GeV2 and note that the part of the uncertainty due to the b-quark mass can be easily reduced. C1 Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. CERN, Div Theory, CH-1211 Geneva 23, Switzerland. Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. Univ Durham, Dept Phys, IPPP, Durham DH1 3LE, England. RP Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. EM bobeth@su3.ucsd.edu; gambino@to.infn.it; martin.gorbahn@durham.ac.uk; haisch@fnal.gov NR 53 TC 98 Z9 98 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2004 IS 4 AR 071 DI 10.1088/1126-6708/2004/04/071 PG 26 WC Physics, Particles & Fields SC Physics GA 839WC UT WOS:000222814600071 ER PT J AU Csaki, C Meade, P Terning, J AF Csaki, C Meade, P Terning, J TI A mixed phase of SUSY gauge theories from a-maximization SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE renormalization group; supersymmetry and duality; supersymmetric effective theories ID DYNAMICAL SUPERSYMMETRY BREAKING; EXTENDED CONFORMAL SUPERSYMMETRY; ELECTRIC-MAGNETIC DUALITY; ANTISYMMETRIC TENSOR; 4 DIMENSIONS; CONFINEMENT; REPRESENTATIONS; MODELS; MODULI; SPACE AB We study N = 1 supersymmetric SU(N) gauge theories with an antisymmetric tensor and F flavors using the recent proposal of alpha-maximization by Intriligator and Wecht. This theory had previously been studied using the method of "deconfinement," but such an analysis was not conclusive since anomalous dimensions in the non-perturbative regime could not be calculated. Using a-maximization we show that for a large range of F the theory is at an interacting superconformal fixed point. However, we also find evidence that for a range of F the theory in the IR splits into a free "magnetic" gauge sector and an interacting superconformal sector. C1 Cornell Univ, Inst High Energy Phenomenol, Lab Elementary Particle Phys, Ithaca, NY 14853 USA. Los Alamos Natl Lab, Theory Div T8, Los Alamos, NM 87545 USA. RP Cornell Univ, Inst High Energy Phenomenol, Lab Elementary Particle Phys, Ithaca, NY 14853 USA. EM csaki@mail.lepp.cornell.edu; meade@mail.lepp.cornell.edu; terning@lanl.gov NR 43 TC 11 Z9 11 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2004 IS 4 AR 040 PG 18 WC Physics, Particles & Fields SC Physics GA 839WC UT WOS:000222814600040 ER PT J AU Giele, WT Glover, EWN AF Giele, WT Glover, EWN TI A calculational formalism for one-loop integrals SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE LEP HERA and SLC physics; QCD; NLO computations; jets ID MASSIVE FEYNMAN-INTEGRALS; JET CROSS-SECTIONS; N-POINT INTEGRALS; TO-LEADING ORDER; NUMERICAL EVALUATION; HADRON COLLIDERS; QCD CORRECTIONS; AMPLITUDES; DIAGRAMS; REDUCTION AB We construct a specific formalism for calculating the one-loop virtual corrections for standard model processes with an arbitrary number of external legs. The procedure explicitly separates the infrared and ultraviolet divergences analytically from the finite one-loop contributions, which can then be evaluated numerically using recursion relations. Using the formalism outlined in this paper, we are in position to construct the next-to-leading order corrections to a variety of multi-leg QCD processes such as multi-jet production and vector-boson(s) plus multi-jet production at hadron colliders. The final limiting factor on the number of particles will be the available computer power. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Durham, Dept Phys, Durham DH1 3LE, England. RP Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM giele@fnal.gov; E.W.N.Glover@durham.ac.uk RI Glover, Edward/A-4597-2012 OI Glover, Edward/0000-0002-0173-4175 NR 60 TC 47 Z9 47 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2004 IS 4 AR 029 PG 31 WC Physics, Particles & Fields SC Physics GA 839WC UT WOS:000222814600029 ER PT J AU Giryavets, A Kachru, S Tripathy, PK Trivedi, SP AF Giryavets, A Kachru, S Tripathy, PK Trivedi, SP TI Flux compactifications on Calabi-Yau threefolds SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE F-theory; superstring vacua ID STRING COMPACTIFICATIONS; SUPERSYMMETRY BREAKING; IIB ORIENTIFOLD; BRANE INFLATION; MIRROR SYMMETRY; MODULI SPACE; F-THEORY; SUPERGRAVITY; DUALITY; MANIFOLDS AB The presence of RR and NS three-form fluxes in type IIB string compactification on a Calabi-Yau orientifold gives rise to a nontrivial superpotential W for the dilaton and complex structure moduli. This superpotential is computable in terms of the period integrals of the Calabi-Yau manifold. In this paper, we present explicit examples of both supersymmetric and nonsupersymmetric solutions to the resulting 4d N = 1 supersymmetric no-scale supergravity, including some nonsupersymmetric solutions with relatively small values of W. Our examples arise on orientifolds of the hypersurfaces in and WP1,1,1,1,44. and WP1,1,2,2,64. They serve as explicit illustrations of several of the ingredients which have played a role in the recent proposals for constructing de Sitter vacua of string theory. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, SLAC, Stanford, CA 94305 USA. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. RP Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM giryav@stanford.edu; skachru@stanford.edu; prasanta@theory.tifr.res.in; sandip@tifr.res.in NR 68 TC 61 Z9 61 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2004 IS 4 AR 003 PG 28 WC Physics, Particles & Fields SC Physics GA 839WC UT WOS:000222814600003 ER PT J AU Chernyak, V Chertkov, M Gabitov, I Kolokolov, I Lebedev, V AF Chernyak, V Chertkov, M Gabitov, I Kolokolov, I Lebedev, V TI PMD-induced fluctuations of bit-error rate in optical fiber systems SO JOURNAL OF LIGHTWAVE TECHNOLOGY LA English DT Article DE bit-error rate (BER); optical fiber telecommunication systems; polarization mode dispersion (PMD) compensation; probability distribution function (PDF) ID POLARIZATION-MODE DISPERSION; TRANSMISSION-SYSTEMS; PRINCIPAL STATES; OUTAGES; CABLE; ORDER AB This paper presents a method that allows evaluating the performance of an optical fiber system where bit errors result from a complex interplay of spontaneous noise generated in optical amplifiers and birefringent disorder of the transmission fiber. We demonstrate that in the presence of temporal fluctuations of hire-fringence characteristics, the bit-error rate (BER) itself is insufficient for characterizing system performance. Adequate characterization requires introducing the probability distribution function (PDF) of the BER obtained by averaging over many realizations of birefringent disorder. Our theoretical analysis shows that this PDF has an extended tail indicating the importance of anomalously large values of BER. We present the results of comprehensive analysis of the following issues: 1) The dependence of the PDF tail shape on detection details, such as filtering and regular temporal shift adjustment; 2) the changes in the PDF of BER that occur when the first- or higher order polarization mode dispersion (PMD) compensation techniques are applied; 3) an alternative PMD compensation method capable of providing more efficient suppression of extreme outages. C1 Corning Inc, Corning, NY 14831 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Arizona, Dept Math, Tucson, AZ 85721 USA. LD Landau Theoret Phys Inst, Moscow 117334, Russia. RP Chernyak, V (reprint author), Corning Inc, SP-DV-02-8, Corning, NY 14831 USA. EM ChernyakV@corning.com RI Chertkov, Michael/O-8828-2015; Chernyak, Vladimir/F-5842-2016; OI Chernyak, Vladimir/0000-0003-4389-4238; Kolokolov, Igor/0000-0002-7961-8588 NR 37 TC 10 Z9 10 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0733-8724 J9 J LIGHTWAVE TECHNOL JI J. Lightwave Technol. PD APR PY 2004 VL 22 IS 4 BP 1155 EP 1168 DI 10.1109/JLT.2004.825237 PG 14 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA 816DA UT WOS:000221089400023 ER PT J AU Civale, L Maiorov, B Serquis, A Willis, JO Coulter, JY Wang, H Jia, QX Arendt, PN Jaime, M MacManus-Driscoll, JL Maley, MP Foltyn, SR AF Civale, L Maiorov, B Serquis, A Willis, JO Coulter, JY Wang, H Jia, QX Arendt, PN Jaime, M MacManus-Driscoll, JL Maley, MP Foltyn, SR TI Understanding high critical currents in YBa(2)Cu(3)O(7) thin films and coated conductors SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID CRITICAL-CURRENT-DENSITY; HIGH-TEMPERATURE SUPERCONDUCTORS; BEAM-ASSISTED DEPOSITION; OXIDE SUPERCONDUCTORS; DEPENDENCE; ANISOTROPY; VORTICES; PHASE; MGO AB The main challenges for the success of high temperature superconducting wires, the YBa(2)Cu(3)O(7) (YBCO) coated conductors (CC), are to avoid the the weak-link problem through the production of biaxially textured films, and to increase the critical current density (J(c)) through the introduction of large densities of appropriate defects. To that end, it is essential to understand the pinning mechanisms and their correlation with the microstructure of the CC. We first present a brief overview of the main methods currently used to produce YBCO CC, and we describe the architecture of the YBCO on IBAD fabricated at Los Alamos, summarizing the recent improvements of their structural and superconducting properties. Then, we analyze some aspects of the J(c) dependence on temperature and magnetic field (orientation and intensity) for the best CC available, and we compare and contrast the results with those of YBCO thin films on single crystal substrates, in order to determine if the defects controlling the pinning mechanisms are the same in both cases. Our results indicate that over large field and angular ranges J(c) on CC is higher than J(c) in thin films on SCS. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Civale, L (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, MS K763, Los Alamos, NM 87545 USA. RI Jia, Q. X./C-5194-2008; Wang, Haiyan/P-3550-2014; Jaime, Marcelo/F-3791-2015; Serquis, Adriana/L-6554-2015; OI Wang, Haiyan/0000-0002-7397-1209; Jaime, Marcelo/0000-0001-5360-5220; Serquis, Adriana/0000-0003-1499-4782; Maiorov, Boris/0000-0003-1885-0436 NR 24 TC 66 Z9 66 U1 2 U2 19 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 87 EP 98 DI 10.1023/B:JOLT.0000016966.07449.d1 PG 12 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000009 ER PT J AU Jorge, GA Jaime, M AF Jorge, GA Jaime, M TI Spin density wave excitations in the specific heat of La2CuO4.11 single crystals SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID CAPACITY MEASUREMENTS; ORDER; SUPERCONDUCTORS AB We measured the specific heat vs. temperature in single crystal samples of superconducting La2CuO4.11, in magnetic fields up to 15 T. After subtraction of the phonon contribution to the specific heat, obtained measuring a non-superconducting crystal, we found a broad anomaly centered at 50 K. This excess specific heat is attributed to fluctuations of the Cu2+ spins possibly enhanced by an interplay with the charge degrees of freedom. C1 Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Univ Buenos Aires, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. RP Jorge, GA (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. RI Jaime, Marcelo/F-3791-2015 OI Jaime, Marcelo/0000-0001-5360-5220 NR 11 TC 0 Z9 0 U1 0 U2 1 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 123 EP 126 DI 10.1023/B:JOLT.0000016971.21637.05 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000014 ER PT J AU Maiorov, B Osquiguil, E AF Maiorov, B Osquiguil, E TI Bose-glass-like phases in oriented-twin YBa2Cu3O7-delta crystals SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID HIGH-TEMPERATURE SUPERCONDUCTORS AB We experimentally study the dynamical response of the superconducting vortex system near the solid-liquid transition by applying forces parallel and perpendicular to a planar random defect array. Our results show that for magnetic fields above a certain critical field H-cr approximate to 4 T the solid glassy vortex phase in YBa2Cu3O7-delta crystals with oriented twin planes does not correspond to the so-called Bose-glass phase. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. Ctr Atom Bariloche, San Carlos De Bariloche, RN, Argentina. Inst Balseiro, San Carlos De Bariloche, RN, Argentina. RP Maiorov, B (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, MS K763, Los Alamos, NM 87545 USA. OI Maiorov, Boris/0000-0003-1885-0436 NR 7 TC 2 Z9 2 U1 0 U2 0 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 131 EP 134 DI 10.1023/B:JOLT.0000016973.46872.44 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000016 ER PT J AU Serquist, A Niebieskikwiat, D Sanchez, RD Morales, L Caneiro, A AF Serquist, A Niebieskikwiat, D Sanchez, RD Morales, L Caneiro, A TI Hole dependence in (Hg, Re)-1201 compound SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID HG-BASED SUPERCONDUCTORS; HGBA2CUO4+DELTA; OXYGEN; PHASE; DEFECTS; REGION AB We analyze the influence of oxygen and Re content on the superconducting response of single phase Hg1-xRexBa2CuO4+delta (0< x <0.15) samples. The results of thermoelectric power and d.c. magnetization measurements let us to analyze the effect of both substitutions on T-c and the hole concentration (p). A comparison with previous reported T-c(p) data indicate that this relashionship differs from the common parabola followed by many other high-Tc materials and some features are remarkably independent of structural and chemical details. C1 Inst Balseiro, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. RP Serquist, A (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, POB 1663, Los Alamos, NM 87545 USA. RI Sanchez, Rodolfo/G-1201-2011; Serquis, Adriana/L-6554-2015 OI Serquis, Adriana/0000-0003-1499-4782 NR 19 TC 0 Z9 0 U1 0 U2 2 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 147 EP 151 DI 10.1023/B:JOLT.0000016977.97627.6f PG 5 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000020 ER PT J AU Silhanek, AV Civale, L AF Silhanek, AV Civale, L TI Anisotropic scaling in YBa2Cu3O7 crystals with columnar defects SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID SUPERCONDUCTORS; VORTICES AB We explore the interplay between the mass anisotropy and the uniaxial pinning of tilted columnar defects (CD) in a YBa2Cu3O7 single crystal. At high temperatures T and fields H a sharp peak in the irreversible magnetization M-i at the direction of the tracks signals the presence of the CD. At low T such a peak is not observed, and the influence of the CD appears only as a perturbation to the angular dependence due to the anisotropy. We show that at low T and high H the uniaxial effects due to CD can be recovered by performing an anisotropic rescaling. As expected, this scaling fails at low H. C1 Katholieke Univ Leuven, Vaste Stoffys & Magnetisme Lab, B-3001 Louvain, Belgium. Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. RP Silhanek, AV (reprint author), Katholieke Univ Leuven, Vaste Stoffys & Magnetisme Lab, Celestijnenlaan 200 D, B-3001 Louvain, Belgium. NR 7 TC 1 Z9 1 U1 0 U2 1 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 157 EP 160 DI 10.1023/B:JOLT.0000016979.93781.c2 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000022 ER PT J AU Smith, JL Lashley, JC AF Smith, JL Lashley, JC TI Domain state occurring in the de Haas-van Alphen effect in silver SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article; Proceedings Paper CT Conference on Pushing Physics at Low Temperatures held in Honour of Francisco LaCruz CY SEP 25-26, 2003 CL San Carlos Bariloche, ARGENTINA SP Fdn Antorchas, Fdn Sauberan, Fdn Balseiro ID MAGNETIC DOMAINS; METALS AB Hysteresis has been observed in de Haas-van Alphen measurements of the Condon domains in silver, and it shows the first-order nature of the transition to the domain state. The hysteresis, and thus the first-order nature, is manifested in a nonlinear effect where a double-valued response of the amplitude with the applied external field is observed. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Smith, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 6 TC 7 Z9 7 U1 0 U2 0 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD APR PY 2004 VL 135 IS 1-2 BP 161 EP 164 DI 10.1023/B:JOLT.0000016980.45773.a4 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 776VA UT WOS:000189139000023 ER PT J AU Chawla, NV Hall, LO Bowyer, KW Kegelmeyer, WP AF Chawla, NV Hall, LO Bowyer, KW Kegelmeyer, WP TI Learning ensembles from bites: A scalable and accurate approach SO JOURNAL OF MACHINE LEARNING RESEARCH LA English DT Article DE ensembles; bagging; boosting; diversity; distributed learning ID ALGORITHMS AB Bagging and boosting are two popular ensemble methods that typically achieve better accuracy than a single classifier. These techniques have limitations on massive data sets, because the size of the data set can be a bottleneck. Voting many classifiers built on small subsets of data ("pasting small votes") is a promising approach for learning from massive data sets, one that can utilize the power of boosting and bagging. We propose a framework for building hundreds or thousands of such classifiers on small subsets of data in a distributed environment. Experiments show this approach is fast, accurate, and scalable. C1 CIBC, Customer Behav Analyt, Toronto, ON M5L 1A2, Canada. Univ S Florida, Dept Comp Sci & Engn, Tampa, FL 33620 USA. Univ Notre Dame, Dept Comp Sci & Engn, Notre Dame, IN 46556 USA. Sandia Natl Labs, Biosyst Res Dept, Livermore, CA 94551 USA. RP Chawla, NV (reprint author), CIBC, Customer Behav Analyt, Commerce Court E,11th Floor, Toronto, ON M5L 1A2, Canada. EM NITESH.CHAWLA@CIBC.CA; HALL@CSEE.USF.EDU; KWB@CSE.ND.EDU; WPK@CA.SANDIA.GOV NR 42 TC 62 Z9 63 U1 1 U2 2 PU MICROTOME PUBL PI BROOKLINE PA 31 GIBBS ST, BROOKLINE, MA 02446 USA SN 1532-4435 J9 J MACH LEARN RES JI J. Mach. Learn. Res. PD APR PY 2004 VL 5 BP 421 EP 451 PG 31 WC Automation & Control Systems; Computer Science, Artificial Intelligence SC Automation & Control Systems; Computer Science GA 026GM UT WOS:000236327400005 ER PT J AU Seeley, JA Han, SI Pines, A AF Seeley, JA Han, SI Pines, A TI Remotely detected high-field MRI of porous samples SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE remote-detection; MRI; porous samples; laser-polarized xenon-129; sensitivity ID NUCLEAR-MAGNETIC-RESONANCE; MULTIPLE-QUANTUM NMR; POLARIZED XE-129; SPIN-EXCHANGE; XENON; SPECTROSCOPY; MICROCOILS; SOLIDS; GAS AB Remote detection of NMR is a novel technique in which an NMR-active sensor surveys an environment of interest and retains memory of that environment to be recovered at a later time in a different location. The NMR or MRI information about the sensor nucleus is encoded and stored as spin polarization at the first location and subsequently moved to a different physical location for optimized detection. A dedicated probe incorporating two separate radio frequency (RF)-circuits was built for this purpose. The encoding solenoid coil was large enough to fit around the bulky sample matrix, while the smaller detection solenoid coil had not only a higher quality factor, but also an enhanced filling factor since the coil volume comprised purely the sensor nuclei. We obtained two-dimensional (2D) void space images of two model porous samples with resolution less than 1.4 mm(2). The remotely reconstructed images demonstrate the ability to determine fine structure with image quality superior to their directly detected counterparts and show the great potential of NMR remote detection for imaging applications that suffer from low sensitivity due to low concentrations and filling factor. Published by Elsevier Inc. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Pines, A (reprint author), Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM pines@cchem.berkeley.edu RI Han, Songi/E-4723-2012 OI Han, Songi/0000-0001-6489-6246 NR 28 TC 32 Z9 32 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD APR PY 2004 VL 167 IS 2 BP 282 EP 290 DI 10.1016/j.jmr.2003.12.018 PG 9 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 809KK UT WOS:000220635400012 PM 15040984 ER PT J AU Tandon, S Beleggia, M Zhu, Y De Graef, M AF Tandon, S Beleggia, M Zhu, Y De Graef, M TI On the computation of the demagnetization tensor for uniformly magnetized particles of arbitrary shape. Part I: Analytical approach SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE demagnetization tensor field; shape amplitude; magnetometric demagnetization tensor; demagnetization energy ID CYLINDERS AB A Fourier space formalism based on the shape amplitude of a particle is used to compute the demagnetization tensor field for uniformly magnetized particles of arbitrary shape. We provide a list of explicit shape amplitudes for important particle shapes, among others: the sphere, the cylindrical tube, an arbitrary polyhedral shape, a truncated paraboloid, and a cone truncated by a spherical cap. In Part I of this two-part paper, an analytical representation of the demagnetization tensor field for particles with cylindrical symmetry is provided, as well as expressions for the magnetostatic energy and the volumetric demagnetization factors. (C) 2003 Elsevier B.V. All rights reserved. C1 Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP De Graef, M (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM degraef@cmu.edu RI DeGraef, Marc/G-5827-2010; OI DeGraef, Marc/0000-0002-4721-6226; Beleggia, Marco/0000-0002-2888-1888 NR 13 TC 53 Z9 53 U1 0 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD APR PY 2004 VL 271 IS 1 BP 9 EP 26 DI 10.1016/j.jmmm.2003.09.011 PG 18 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 804ZZ UT WOS:000220337900002 ER PT J AU Tandon, S Beleggia, M Zhu, Y De Graef, M AF Tandon, S Beleggia, M Zhu, Y De Graef, M TI On the computation of the demagnetization tensor for uniformly magnetized particles of arbitrary shape. Part II: numerical approach SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE demagnetization tensor field; shape amplitude; polygonal disk; numerical algorithm; demagnetization energy AB In Part I, we described an analytical approach to the computation of the demagnetization tensor field for a uniformly magnetized particle with an arbitrary shape. In this paper, Part 11, we introduce two methods for the numerical computation of the demagnetization tensor field. One method uses a Fourier space representation of the particle shape, the other starts from the real space representation. The accuracy of the methods is compared to theoretical results for the demagnetization tensor of the uniformly magnetized cylinder with arbitrary aspect ratio. Example computations are presented for the hexagonal plate, the truncated paraboloid, and a so-called "Pac-Man" shape, recently designed for MRAM applications. Finally, the magnetostatic self-energy of a uniformly magnetized regular polygonal disk of arbitrary order is analyzed. A linear relation is found between the order of the polygon and the critical aspect ratio for in-plane vs. axial magnetization states. (C) 2003 Elsevier B.V. All rights reserved. C1 Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP De Graef, M (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM degraef@cmu.edu RI DeGraef, Marc/G-5827-2010; OI DeGraef, Marc/0000-0002-4721-6226; Beleggia, Marco/0000-0002-2888-1888 NR 9 TC 23 Z9 23 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD APR PY 2004 VL 271 IS 1 BP 27 EP 38 DI 10.1016/j.jmmm.2003.09.010 PG 12 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 804ZZ UT WOS:000220337900003 ER PT J AU Harland, CL Lewis, LH Chen, Z Ma, BM AF Harland, CL Lewis, LH Chen, Z Ma, BM TI Exchange coupling and recoil loop area in Nd2Fe14B nanocrystalline alloys SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE recoil hysteresis; exchange spring; permanent magnets; exchange coupling ID PERMANENT-MAGNETS; FE-B; MAGNETIZATION; REMANENCE; COERCIVITY; BEHAVIOR AB The recoil behavior of nanocrystalline materials based on Nd2Fe14B has been investigated in melt-spun alloys with the stoichiometric composition Nd2Fe14B and in the nanocomposite Nd9Fe86B5. The onset of recoil hysteresis, or attainment of appreciable area of the recoil loop, was determined and followed as a function of the reverse applied magnetic field. Its behavior was correlated with that of two other independent parameters: the reversible portion of the recoil susceptibility and the recoil remanence, which both provide information on the ease of remagnetization of the materials. The simultaneous appearance of extrema in a restricted internal field range in all three parameters strongly suggests that the area of the recoil loops in these materials may be taken as a measure of the extent of the intergranular exchange. The temperature dependence of the results provides information about the thermal evolution of the interphase exchange coupling; this information is not evident in major loop measurements. Preliminary results indicate that the off-stoichiometric Nd9Fe86B5 maintains a higher degree of interphase exchange coupling but only at low reverse fields; the stoichiometric Nd2Fe14B maintains a lower degree of magnetic reversibility but sustains it to higher reverse fields. Comparison of the results obtained from different forms of the Nd2Fe14B-based nanocrystalline alloys highlights the origins of the differences in their technical magnetic behavior and suggests structural modification pathways to improve their properties. (C) 2003 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. Magnequench Technol Ctr, Res Triangle Pk, NC USA. RP Lewis, LH (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Bldg 480, Upton, NY 11973 USA. EM lhlewis@bnl.gov NR 28 TC 40 Z9 42 U1 1 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD APR PY 2004 VL 271 IS 1 BP 53 EP 62 DI 10.1016/j.jmmm.2003.09.014 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 804ZZ UT WOS:000220337900006 ER PT J AU Fitzsimmons, MR Bader, SD Borchers, JA Felcher, GP Furdyna, JK Hoffmann, A Kortright, JB Schuller, IK Schulthess, TC Sinha, SK Toney, MF Weller, D Wolf, S AF Fitzsimmons, MR Bader, SD Borchers, JA Felcher, GP Furdyna, JK Hoffmann, A Kortright, JB Schuller, IK Schulthess, TC Sinha, SK Toney, MF Weller, D Wolf, S TI Neutron scattering studies of nanomagnetism and artificially structured materials SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Review ID III-V SEMICONDUCTORS; ANTIFERROMAGNETICALLY COUPLED MULTILAYERS; MAGNETIZATION DENSITY DISTRIBUTION; DOUBLE-SUPERLATTICE STRUCTURES; COFE2O4 COLLOIDAL PARTICLE; SUPERCONDUCTING THIN-FILM; BAR-MNTE SUPERLATTICES; MOLECULAR-BEAM EPITAXY; BCC FE FILMS; POLARIZED-NEUTRON AB Nanostructured magnetic materials are intensively investigated due to their unusual properties and promise for possible applications. The key issue for these materials is to understand the limits between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structures allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of magnetic structure at the microscopic level. Neutron scattering is a well-developed technique that can determine magnetic structure at the atomic length scale in samples of ever diminishing size. This has opened up the use of neutron scattering to nanostructured materials prepared by thin film and lithographic techniques. Many interesting and unexpected results have emerged from the application of elastic neutron scattering to nanostructured magnetic thin films such as superlattices and multilayers. These include, distinguishing between magnetic and chemical boundaries, observing the spatial dependence of the magnetization vector in nonuniform materials, unusual coupling mechanisms across nonmagnetic materials, unexpected magnetic phase diagrams, etc. Extension of elastic neutron scattering to nanostructured arrays and three-dimensional magnetic composites will allow future determination of magnetic structure with unprecedented resolution. In this review, we discuss the impact of neutron scattering to the study of magnetic nanostructures, i.e., magnetic materials that are artificially structured at nanometer length scales, such as magnetic thin films, multilayers and nanodot arrays. The basic interactions and different length scales relevant to these systems as well as the basic issues and phenomena of interest are briefly reviewed. We discuss examples where the techniques of magnetic neutron diffraction, small-angle scattering, reflectometry, grazing incidence diffraction and diffuse scattering have helped to elucidate some of these phenomena. We also discuss potentially fruitful future applications of such techniques to the field of nanomagnetism. Furthermore, we argue that the development of inelastic neutron scattering techniques useful for the study of small volumes of material would raise neutron scattering to a much higher level of applicability for nanostructured magnetic materials. (C) 2003 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Seagate Technol, Pittsburgh, PA 15203 USA. Univ Virginia, Charlottesville, VA 22904 USA. RP Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM fitz@lanl.gov RI Wolf, Stuart/A-7513-2009; Lujan Center, LANL/G-4896-2012; Bader, Samuel/A-2995-2013; Hoffmann, Axel/A-8152-2009 OI Hoffmann, Axel/0000-0002-1808-2767 NR 320 TC 94 Z9 95 U1 4 U2 67 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD APR PY 2004 VL 271 IS 1 BP 103 EP 146 DI 10.1016/j.jmmm.2003.09.046 PG 44 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 804ZZ UT WOS:000220337900012 ER PT J AU Keller, KM Brodbelt, JS Hettich, RL Van Berkel, GJ AF Keller, KM Brodbelt, JS Hettich, RL Van Berkel, GJ TI Comparison of sustained off-resonance irradiation collisionally activated dissociation and multipole storage-assisted dissociation for top-down protein analysis SO JOURNAL OF MASS SPECTROMETRY LA English DT Article DE electrospray ionization; multipole storage-assisted dissociation; collisionally acturated dissociation; Fourier transform ion cyclotron resonance; protein identification ID TANDEM MASS-SPECTROMETRY; INFRARED MULTIPHOTON DISSOCIATION; ELECTRON-CAPTURE DISSOCIATION; ION-CYCLOTRON RESONANCE; INTACT PROTEINS; CHARGED IONS; IDENTIFICATION; IONIZATION; SEQUENCE; TRAP AB Tandem mass spectrometric data acquired for small (8-18 kDa) intact proteins by sustained off-resonance irradiation collisionally activated dissociation (SORI-CAD) and multipole storage-assisted dissociation (MSAD) were compared, and the results indicate that the two activation methods do not always provide the same fragmentation patterns. In MSAD experiments, the charge state distribution made available by the ionization conditions may dictate the range of fragment ions that can be generated. In addition, conditions of high space charge within the hexapole impair transmission and/or trapping of high m/z species, which can result in loss of important precursor and product ions. Finally, the non-resonant nature of activation in MSAD can provide access to secondary dissociation processes that are not available by SORI. Because of these considerations, MSAD is less reliable than SORI for generating sequence tag data. However, it appears that MSAD samples 'preferred' cleavage processes (i.e. those occurring at D and P residues) just as well as SORI, which implies that MSAD data may be somewhat more compatible with search algorithms that utilize unprocessed fragment ion masses. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Brodbelt, JS (reprint author), Univ Texas, Dept Chem & Biochem, 1 Univ Stn A5300, Austin, TX 78712 USA. EM jbrodbelt@mail.utexas.edu RI Hettich, Robert/N-1458-2016 OI Hettich, Robert/0000-0001-7708-786X NR 36 TC 6 Z9 6 U1 0 U2 3 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1076-5174 J9 J MASS SPECTROM JI J. Mass Spectrom. PD APR PY 2004 VL 39 IS 4 BP 402 EP 411 DI 10.1002/jms.602 PG 10 WC Biophysics; Chemistry, Organic; Spectroscopy SC Biophysics; Chemistry; Spectroscopy GA 812SW UT WOS:000220860200008 PM 15103654 ER PT J AU Dykhuizen, RC Robino, CV AF Dykhuizen, RC Robino, CV TI Load relaxation of helical extension springs in transient thermal environments SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE heating relaxation; helical extension springs; thermal heating ID CREEP AB The load relaxation behavior of small Elgiloy helical extension springs has been evaluated by a combined experimental and modeling approach. Isothermal, continuous heating, and interrupted heating relaxation tests of a specific spring design were conducted. Spring constants also were measured and compared with predictions using common spring formulas. For the constant heating rate relaxation tests, it was found that the springs retained their strength to higher temperatures at higher heating rates. A model, which describes the relaxation behavior, was developed and calibrated with the isothermal load relaxation tests. The model incorporates both time-independent deformation mechanisms, such as thermal expansion and shear modulus changes, as well as time-dependent mechanisms such as primary and steady state creep. The model was shown to accurately predict the load relaxation behavior for the continuous heating tests, as well as for a complex stepwise heating thermal cycle. The model can be used to determine the relaxation behavior for any arbitrary thermal cycle. An extension of the model to other spring designs is discussed. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dykhuizen, RC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM redykhu@sandia.gov NR 9 TC 4 Z9 4 U1 0 U2 3 PU ASM INTERNATIONAL PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 1059-9495 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD APR PY 2004 VL 13 IS 2 BP 151 EP 157 DI 10.1361/10599490418343 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 811DP UT WOS:000220752900005 ER PT J AU Usov, I Arendt, P Stan, L DePaula, R Wang, H Foltyn, S Dowden, P AF Usov, I Arendt, P Stan, L DePaula, R Wang, H Foltyn, S Dowden, P TI Characteristics of alumina diffusion barrier films on Hastelloy SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID BEAM-ASSISTED DEPOSITION; COATED CONDUCTORS; MGO AB The diffusion behavior of elements constituting Hastelloy C-276 (C, Si, Mn, Co, W, Fe, Cr, Mo, and Ni) in alumina films was investigated using secondary ion mass spectroscopy. The films were deposited by ion-beam-assisted deposition and annealed in vacuum over a temperature range of 500-1000 degreesC. Characterization of film microstructure was performed using transmission electron microscopy and selected area diffraction analyses. The films were predominantly amorphous with alumina nanocrystallites nonuniformly dispersed throughout the volume both before and after annealing. A relatively wide interface region between the Hastelloy substrate and alumina film was formed in the as-deposited sample due to ion beam mixing. No diffusion of any of the substrate elements was observed after annealing, except for Mn, Cr, and Ni. The impurity depth distributions consisted of two components, which differed by several orders of magnitude with respect to diffusion coefficient and solubility. Activation energies and temperature dependencies of the diffusion coefficients were determined, and a diffusion mechanism was discussed. C1 MST STC, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Usov, I (reprint author), MST STC, Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Wang, Haiyan/P-3550-2014 OI Wang, Haiyan/0000-0002-7397-1209 NR 14 TC 11 Z9 11 U1 0 U2 9 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD APR PY 2004 VL 19 IS 4 BP 1175 EP 1180 DI 10.1557/JMR.2004.0152 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 833DK UT WOS:000222316400028 ER PT J AU Yoo, J Leonard, KJ Lee, DF Hsu, HS Heatherly, L List, FA Rutter, NA Goyal, A Paranthaman, M Kroeger, DM AF Yoo, J Leonard, KJ Lee, DF Hsu, HS Heatherly, L List, FA Rutter, NA Goyal, A Paranthaman, M Kroeger, DM TI Effects of conversion parameters on the transport properties of YBCO films in the BaF2 ex situ process SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID CRITICAL-CURRENT DENSITY; SUPERCONDUCTING TAPES; BUFFER LAYERS; THICK-FILMS; YBA2CU3O7-DELTA; DEPOSITION; CONDUCTORS; GROWTH AB The effects of conversion parameters on transport properties of YBa2Cu3O7-delta (YBCO) films on rolling assisted biaxially textured substrates (RABiTS) in the BaF2 ex situ process were investigated for total pressures P-total, between 0.1 and 1.3 atm, water vapor pressures P-H2O between approximately 7 and 70 Torr and processing temperatures T-S between 700 and 790 degreesC. For this study, a 0.3-mum-thick Y-BaF2-Cu-O precursor film was deposited on a I-cm-wide Ni = 3 at.% W RABiTS with a buffer layer architecture of Ceo(2)/YSZ/Y2O3/Ni deposited in single passes in various reel-to-reel systems for each layer. Under the conditions of P-total 0. 1 atm, T-S = 740 degreesC and P-O2 approximately 150 mTorr, J(C) > 2 MA/cm(2) was obtained at 77 K and self field for P-H2O less than or equal to 20 Torr. At higher P-H2O ( = 70 Torr), however, the maximum attainable J(C) decreased. In addition, the J(C) at these higher P-H2O dropped rapidly with increased dwell time. The highest J(C), 2.5 MA/cm(2), was achieved at 730 degreesC with Ptotal = 0.1 atm and P-H2O approximately 7 Torr. Finally, the variation of I-C with wet conversion time was performed at each processing temperature. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yoo, J (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM yooj@ornl.gov RI Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 NR 22 TC 7 Z9 7 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD APR PY 2004 VL 19 IS 4 BP 1281 EP 1289 DI 10.1557/JMR.2004.0166 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 833DK UT WOS:000222316400042 ER PT J AU Balasubramanian, K AF Balasubramanian, K TI Multinomial combinatorial group representations of the octahedral and cubic symmetries SO JOURNAL OF MATHEMATICAL CHEMISTRY LA English DT Article DE group representations; combinations; multinomials; Polya's theorem; cubic and octahedral symmetries ID NUCLEAR-SPIN STATISTICS; ISOMER ENUMERATION; POSITION ISOMERS; GRAPHS; SPECTROSCOPY; NUMBERS; LIGANDS; STEREO AB We consider the full multinomial combinatorics of all irreducible representations of the octahedral ( cubic) symmetry as a function of partitions for vertex, face and edge colorings. Full combinatorial tables for all irreducible representations and all multinomial partitions are constructed. These enumerations constitute multinomial expansions of character-based cycle index polynomials, and grow in combinatorial complexity as a function of edge or vertex coloring partitions. C1 Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 94550 USA. EM kbala@ucdavis.edu NR 33 TC 4 Z9 4 U1 0 U2 1 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0259-9791 J9 J MATH CHEM JI J. Math. Chem. PD APR PY 2004 VL 35 IS 4 BP 345 EP 365 DI 10.1023/B:JOMC.0000034252.38828.a3 PG 21 WC Chemistry, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Chemistry; Mathematics GA 835RB UT WOS:000222502100005 ER PT J AU Malaga, CA Weller, RE Broderson, JR Gozalo, AS AF Malaga, CA Weller, RE Broderson, JR Gozalo, AS TI Tuberculosis-like lesions arising from the use of Freund's complete adjuvant in an owl monkey (Aotus sp.) SO JOURNAL OF MEDICAL PRIMATOLOGY LA English DT Article DE Aotus lemurinus; cebidae; Freund's adjuvant; pathology; primate; tuberculosis-like ID SQUIRREL-MONKEY; SAIMIRI SCIUREUS AB An apparently normal, non-tuberculin-reacting, splenectomized owl monkey presented tuberculosis-like lesions of the lung at necropsy. Histological and bacteriological examination failed to demonstrate the presence of acid-fast organisms. Retrospective inquiry showed the animal had been inoculated using complete Freund's Adjuvant during a malaria vaccine trial. Lesions observed were compatible with lipid embolism of the adjuvant in the lungs. C1 Univ Calif Los Angeles, Div Lab Anim Med, David Geffen Sch Med, Ctr Hlth Sci 1V-211, Los Angeles, CA 90095 USA. Univ Puerto Rico, San Juan, PR 00936 USA. Pacific NW Lab, Richland, WA USA. Univ Georgia, Coll Vet Med, Dept Vet Pathol, Athens, GA USA. RP Gozalo, AS (reprint author), Univ Calif Los Angeles, Div Lab Anim Med, David Geffen Sch Med, Ctr Hlth Sci 1V-211, 630 Charles E Young Dr S,Box 951718, Los Angeles, CA 90095 USA. EM agozalo@mednet.ucla.edu NR 11 TC 3 Z9 4 U1 0 U2 1 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0047-2565 J9 J MED PRIMATOL JI J. Med. Primatol. PD APR PY 2004 VL 33 IS 2 BP 109 EP 112 DI 10.1111/j.1600-0684.2004.00060.x PG 4 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA 809VL UT WOS:000220664100007 PM 15061724 ER PT J AU Yue, M Lin, H Dedrick, DE Satyanarayana, S Majumdar, A Bedekar, AS Jenkins, JW Sundaram, S AF Yue, M Lin, H Dedrick, DE Satyanarayana, S Majumdar, A Bedekar, AS Jenkins, JW Sundaram, S TI A 2-D microcantilever array for multiplexed biomolecular analysis SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Lael-free; microcantilever array; multiplexed biosensing; surface stress; whole-field optical read-out ID SURFACE STRESS; DNA; PERFORMANCE; SENSORS; GOLD AB An accurate, rapid, and quantitative method for analyzing variety of biomolecules, such as DNA and proteins, is necessary in many biomedical applications and could help address several scientific issues in molecular biology. Recent experiments have shown that when specific biological reactions occur on one surface of a microcantilever beam, the resulting changes in surface stress deflect the cantilever beam. To exploit this phenomenon for high-throughput label-free biomolecular analysis, we have developed a chip containing a two-dimensional (2-D) array of silicon nitride cantilevers with a thin gold coating on one surface. Integration of microfluid cells on the chip allows for individual functionalization of each cantilever of the array, which is designed to respond specifically to a target analyte. An optical system to readout deflections of multiple cantilevers was also developed. The cantilevers exhibited thermomechanical sensitivity with a standard deviation of seven percent, and were found to fall into two categories-those whose deflections tracked each other in response to external stimuli, and those whose did not due to drift. The best performance of two "tracking" cantilevers showed a maximum difference of 4 nm in their deflections. Although "nontracking" cantilevers exhibited large differences in their drift behavior, an upper bound of their time-dependent drift was determined, which could allow for rapid bioassays. Using the differential deflection signal between tracking cantilevers, immobilization of 25mer thiolated single-stranded DNA (ssDNA) on gold surfaces produced repeatable deflections of 80 nm or so on 0.5-mum-thick and 200-mum-long cantilevers. C1 Univ Calif Berkeley, Dept Engn Mech, Berkeley, CA 94720 USA. Univ So Calif, Dept Pathol, Los Angeles, CA 90089 USA. Sandia Natl Labs, Livermore, CA 94551 USA. CFD Res Corp, Huntsville, AL 35805 USA. RP Yue, M (reprint author), Univ Calif Berkeley, Dept Engn Mech, Berkeley, CA 94720 USA. EM majumdar@me.berkeley.edu NR 21 TC 116 Z9 117 U1 0 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD APR PY 2004 VL 13 IS 2 BP 290 EP 299 DI 10.1109/JMEMS.2003.823216 PG 10 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 811GB UT WOS:000220759300016 ER EF